From e29a57fe275d18ca03ae40c887a970214ff13c78 Mon Sep 17 00:00:00 2001
From: Fabian Affolter <mail@fabian-affolter.ch>
Date: Sat, 18 May 2024 21:19:01 +0200
Subject: [PATCH 001/166] Update classifier

See above and license file
---
 setup.py | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/setup.py b/setup.py
index 325f247d..66df1321 100644
--- a/setup.py
+++ b/setup.py
@@ -51,7 +51,7 @@ def find_files(directory):
         'Environment :: Other Environment',
         'Intended Audience :: Education',
         'Intended Audience :: Science/Research',
-        'License :: OSI Approved :: Apache Software License',
+        'License :: OSI Approved :: GNU Lesser General Public License v2 or later (LGPLv2+)',
         'Natural Language :: English',
         'Operating System :: MacOS :: MacOS X',
         #'Operating System :: Microsoft :: Windows',

From 18146d51ed48fb26aac1e8660781075da0022608 Mon Sep 17 00:00:00 2001
From: nbruciaferri <nbruciaferri@gmail.com>
Date: Wed, 22 May 2024 13:54:24 -0700
Subject: [PATCH 002/166] realease 0.5.1 working on conda release

---
 MANIFEST.in                                 |   7 +
 meeko/cli/__init__.py                       |   0
 meeko/cli/mk_export.py                      | 117 +++++
 {scripts => meeko/cli}/mk_prepare_ligand.py |   9 +-
 meeko/cli/mk_prepare_receptor.py            | 446 ++++++++++++++++++++
 meeko/rdkit_mol_create.py                   |   2 +-
 scripts/mk_export.py                        | 111 -----
 scripts/mk_prepare_receptor.py              | 441 -------------------
 setup.py                                    |  21 +-
 9 files changed, 586 insertions(+), 568 deletions(-)
 create mode 100644 MANIFEST.in
 create mode 100644 meeko/cli/__init__.py
 create mode 100755 meeko/cli/mk_export.py
 rename {scripts => meeko/cli}/mk_prepare_ligand.py (99%)
 create mode 100755 meeko/cli/mk_prepare_receptor.py
 delete mode 100755 scripts/mk_export.py
 delete mode 100755 scripts/mk_prepare_receptor.py

diff --git a/MANIFEST.in b/MANIFEST.in
new file mode 100644
index 00000000..06a0c6c0
--- /dev/null
+++ b/MANIFEST.in
@@ -0,0 +1,7 @@
+include README.md
+include LICENSE
+include test/*
+include example/*
+include meeko/data/*
+include meeko/tmp/*
+include meeko/utils/*
\ No newline at end of file
diff --git a/meeko/cli/__init__.py b/meeko/cli/__init__.py
new file mode 100644
index 00000000..e69de29b
diff --git a/meeko/cli/mk_export.py b/meeko/cli/mk_export.py
new file mode 100755
index 00000000..e38ea9d6
--- /dev/null
+++ b/meeko/cli/mk_export.py
@@ -0,0 +1,117 @@
+#!/usr/bin/env python
+# -*- coding: utf-8 -*-
+#
+#
+
+import argparse
+import gzip
+import os
+import sys
+import warnings
+
+from rdkit import Chem
+
+from meeko import PDBQTMolecule
+from meeko import RDKitMolCreate
+
+try:
+    from openbabel import openbabel as ob
+    from meeko import obutils # fails if openbabel not available
+except:
+    _has_openbabel = False
+else:
+    _has_openbabel = True
+
+
+def cmd_lineparser():
+    parser = argparse.ArgumentParser(description='Export docking results to SDF format')
+    parser.add_argument(dest='docking_results_filename', nargs = "+",
+                        action='store', help='Docking output file, either a PDBQT \
+                        file from Vina or a DLG file from AD-GPU.')
+    parser.add_argument('-i', '--original_input', dest='template_filename',
+                        action='store', help='[not recommended] Template molecule file, i.e. the original \
+                        file that was used to prepare the PDBQT filename (hopefully SDF). \
+                        This option requires OpenBabel, and is kept only for backwards compatibility with \
+                        meeko v0.2.* and older, because it is only since v0.3.* that the SMILES string is \
+                        added to a PDBQT remark and used to initialize an RDKit molecule.')
+    parser.add_argument('-o', '--output_filename', dest='output_filename',
+                        action='store', help='Output molecule filename. If not specified, suffix _docked is \
+                        added to the filename based on the input molecule file, and using the same \
+                        molecule file format')
+    parser.add_argument('-s', '--suffix', dest='suffix_name', default='_docked',
+                        action='store', help='Add suffix to output filename if -o/--output_filename \
+                        not specified. WARNING: If specified as empty string (\'\'), this will overwrite \
+                        the original molecule input file (default: _docked).')
+    parser.add_argument('-c', '--only_cluster_leads', action='store_true',
+                        help='Keep top pose from each AutoDock-GPU cluster, sorted by \
+                        predicted free energy of cluster lead.')
+    parser.add_argument('-', '--',  dest='redirect_stdout', action='store_true',
+                        help='do not write file, redirect output to STDOUT. Arguments -o/--output_filename \
+                        is ignored.')
+    return parser.parse_args()
+
+def main():
+    args = cmd_lineparser()
+
+    docking_results_filenames = args.docking_results_filename
+    template_filename = args.template_filename
+    output_filename = args.output_filename
+    suffix_name = args.suffix_name
+    only_cluster_leads = args.only_cluster_leads
+    redirect_stdout = args.redirect_stdout
+
+    if output_filename is not None and len(docking_results_filenames) > 1:
+        print("Option -o/--output_filename incompatible with multiple input files", file=sys.stderr)
+        sys.exit()
+    
+    for filename in docking_results_filenames:
+        is_dlg = filename.endswith('.dlg') or filename.endswith(".dlg.gz")
+        if filename.endswith(".gz"):
+            with gzip.open(filename) as f:
+                string = f.read().decode()
+        else:
+            with open(filename) as f:
+                string = f.read()
+        pdbqt_mol = PDBQTMolecule(string, is_dlg=is_dlg, skip_typing=True)
+
+        if template_filename is not None: # OBMol from template_filename
+            if not _has_openbabel:
+                raise ImportError('-i/--original_input requires openbabel which is not available')
+            if output_filename is not None:
+                output_format = os.path.splitext(output_filename)[1][1:]
+            else:
+                output_format = os.path.splitext(template_filename)[1][1:]
+            conv = ob.OBConversion()
+            success = conv.SetOutFormat(output_format)
+            if not success:
+                raise RuntimeError('Input molecule file format %s not recognized by OpenBabel.' % output_format)
+            ori_obmol = obutils.load_molecule_from_file(template_filename)
+            for pose in pdbqt_mol:
+                copy_obmol = ob.OBMol(ori_obmol) # connectivity may be corrupted by removing and adding Hs multiple times
+                pose.copy_coordinates_to_obmol(copy_obmol)
+                output_string = conv.WriteString(copy_obmol)
+        else: # RDKit mol from SMILES in docking output PDBQT remarks
+            output_string, failures = RDKitMolCreate.write_sd_string(
+                    pdbqt_mol, only_cluster_leads=only_cluster_leads)
+            output_format = 'sdf'
+            for i in failures:
+                warnings.warn("molecule %d not converted to RDKit/SD File" % i)
+            if len(failures) == len(pdbqt_mol._atom_annotations["mol_index"]):
+                msg = "\nCould not convert to RDKit. Maybe meeko was not used for preparing\n"
+                msg += "the input PDBQT for docking, and the SMILES string is missing?\n"
+                msg += "Except for standard protein sidechains, all ligands and flexible residues\n"
+                msg += "require a REMARK SMILES line in the PDBQT, which is added automatically by meeko."
+                raise RuntimeError(msg)
+        if not redirect_stdout:
+            if output_filename is None:
+                fn = '%s%s.%s' % (os.path.splitext(filename)[0], suffix_name, output_format)
+            else:
+                fn = output_filename
+            print(output_string, file=open(fn, 'w'))
+        else:
+            print(output_string)
+
+    return
+
+if __name__ == "__main__":
+    sys.exit(main())
\ No newline at end of file
diff --git a/scripts/mk_prepare_ligand.py b/meeko/cli/mk_prepare_ligand.py
similarity index 99%
rename from scripts/mk_prepare_ligand.py
rename to meeko/cli/mk_prepare_ligand.py
index 73bd42cb..3fb49b06 100755
--- a/scripts/mk_prepare_ligand.py
+++ b/meeko/cli/mk_prepare_ligand.py
@@ -269,9 +269,7 @@ def get_suffixes(molsetups):
         else:
             return tuple("mk%d" % (i + 1) for i in range(len(molsetups)))
 
-
-if __name__ == '__main__':
-
+def main():
     args, config, backend, is_covalent = cmd_lineparser()
     input_molecule_filename = args.input_molecule_filename
 
@@ -373,3 +371,8 @@ def get_suffixes(molsetups):
         print("PDBQT files not written due to error: %d" % (nr_failures))
         print("Input molecules with errors: %d" % (input_mol_with_failure))
         print(output.get_duplicates_info_string())
+    return
+
+if __name__ == '__main__':
+    sys.exit(main())
+    
diff --git a/meeko/cli/mk_prepare_receptor.py b/meeko/cli/mk_prepare_receptor.py
new file mode 100755
index 00000000..1405b881
--- /dev/null
+++ b/meeko/cli/mk_prepare_receptor.py
@@ -0,0 +1,446 @@
+#!/usr/bin/env python
+
+import argparse
+import json
+import math
+from os import linesep as os_linesep
+import pathlib
+import sys
+
+from meeko import PDBQTReceptor
+from meeko import reactive_typer
+from meeko import get_reactive_config
+from meeko import gridbox
+
+path_to_this_script = pathlib.Path(__file__).resolve()
+
+def parse_residue_string(string):
+    """
+    Args:
+        string (str): Residue identifier in the format 'chain:resname:resnum'.
+
+    Returns:
+        tuple: Residue identifier components: (chain, resname, resnum).
+        bool: Whether the parsing was successful or not.
+        str: An error message describing any encountered parsing errors.
+
+    Example:
+        >>> parse_residue_string("A:ALA:42")
+        (('A', 'ALA', 42), True, '')
+    """
+
+    ok = True
+    err = ""
+    res_id = (None, None, None)
+    if string.count(":") != 2:
+        ok = False
+        err += "Need exacly two ':' but found %d in '%s'" % (string.count(":"), string) + os_linesep
+        err += "Example: 'A:HIE:42'" + os_linesep
+        return res_id, ok, err
+    chain, resname, resnum = string.split(":")
+    if len(chain) not in (0, 1):
+        ok = False
+        err += "chain must be 0 or 1 char but it is '%s' (%d chars) in '%s'" % (chain, len(chain), string) + os_linesep
+    if len(resname) > 3:
+        ok = False
+        err += "resname must be max 3 characters long, but is '%s' in '%s'" % (resname, string) + os_linesep
+    try:
+        resnum = int(resnum)
+    except:
+        ok = False
+        err += "resnum could not be converted to integer, it was '%s' in '%s'" % (resnum, string) + os_linesep
+    if ok:
+        res_id = (chain, resname, resnum)
+    return res_id, ok, err
+
+def parse_residue_string_and_name(string):
+    """
+    Example:
+        >>> parse_residue_string_and_name("A:HIE:42:CE1")
+        ({"res_id": ('A', 'ALA', 42), "name": "CE1"}, True, '')
+    """
+    ok = True
+    err = ""
+    output = {"res_id": (None, None, None),
+              "name": None}
+    if string.count(":") != 3:
+        ok = False
+        err += "Need three ':' but found %d in %s" % (string.count(":"), string) + os_linesep
+        err += "Example: 'A:HIE:42:CE1'" + os_linesep
+        return output, ok, err
+
+    resid_string, name = string.rsplit(":", 1)
+    output["name"] = name
+    res_id, ok_, err_ = parse_residue_string(resid_string)
+    output["res_id"] = res_id
+    ok &= ok_
+    err += err_
+    return output, ok, err
+
+def parse_resname_and_name(string):
+    """
+    Example:
+        >>> parse_resname_and_name("HIE:CE1")
+        (("HIE", "CE1"), True, "")
+    """
+    ok = True
+    err = ""
+    output = (None, None)
+    if string.count(":") != 1:
+        ok = False
+        err += "Expected one ':' but found %d in %s" % (string.count(":"), string) + os_linesep
+        err += "Example: 'HIE:CE1'" + os_linesep
+        return output, ok, err
+    resname, name = string.split(":")
+    return (resname, name), ok, err
+
+
+
+
+class TalkativeParser(argparse.ArgumentParser):
+    def error(self, message):
+        """overload to print_help for every error"""
+        self.print_help()
+        this_script = path_to_this_script.name
+        print('\n%s: error: %s' % (this_script, message), file=sys.stderr)
+        sys.exit(2)
+
+def check(success, error_msg):
+    if not success:
+        print("Error: " + error_msg, file=sys.stderr)
+        sys.exit(2)
+
+def get_args():
+    parser = TalkativeParser()
+    parser.add_argument('--pdb', help="input can be PDBQT but charges and types will be reassigned")
+    parser.add_argument('--pdbqt', help="keeps existing charges and types")
+    parser.add_argument('-o', '--output_filename', required=True, help="adds _rigid/_flex with flexible residues. Always suffixes .pdbqt.")
+    parser.add_argument('-f', '--flexres', action="append", default=[],
+                        help="repeat flag for each residue, e.g: -f \" :LYS:42\" -f \"B:TYR:23\" and keep space for empty chain")
+    parser.add_argument('-r', '--reactive_flexres', action="append", default=[],
+                        help="same as --flexres but for reactive residues (max 8)")
+    parser.add_argument('-g', '--reactive_name', action="append", default=[],
+                        help="set name of reactive atom of a residue type, e.g: -g 'TRP:NE1'. Overridden by --reactive_name_specific")
+    parser.add_argument('-s', '--reactive_name_specific', action="append", default=[],
+                        help="set name of reactive atom for an individual residue, e.g: -s 'A:HIE:42:NE2'. Residue will be reactive.")
+    #parser.add_argument('-b', '--gridbox_filename', help="set grid box size and center using a Vina configuration file")
+    parser.add_argument('--box_size', help="size of grid box (x, y, z) in Angstrom", nargs=3, type=float)
+    parser.add_argument('--box_center', help="center of grid box (x, y, z) in Angstrom", nargs=3, type=float)
+    parser.add_argument('--box_center_on_reactive_res', help="project center of grid box along CA-CB bond 5 A away from CB", action="store_true")
+    parser.add_argument('--ligand', help="PDBQT of reference ligand")
+    parser.add_argument('--padding', help="padding around reference ligand [A]", type=float)
+    parser.add_argument('--skip_gpf', help="do not write a GPF file for autogrid", action="store_true")
+    parser.add_argument('--r_eq_12', default=1.8, type=float, help="r_eq for reactive atoms (1-2 interaction)")
+    parser.add_argument('--eps_12', default=2.5, type=float, help="epsilon for reactive atoms (1-2 interaction)")
+    parser.add_argument('--r_eq_13_scaling', default=0.5, type=float, help="r_eq scaling for 1-3 interaction across reactive atoms")
+    parser.add_argument('--r_eq_14_scaling', default=0.5, type=float, help="r_eq scaling for 1-4 interaction across reactive atoms")
+    args = parser.parse_args()
+
+    if (args.pdb is None) == (args.pdbqt is None):
+        msg = "need either --pdb or --pdbqt"
+        print("Command line error: " + msg, file=sys.stderr)
+        sys.exit(2)
+    if (args.box_center is not None) and args.box_center_on_reactive_res:
+        msg = "can't use both --box_center and --box_center_on_reactive_res"
+        print("Command line error: " + msg, file=sys.stderr)
+        sys.exit(2)
+    got_center = (args.box_center is not None) or args.box_center_on_reactive_res or (args.ligand is not None)
+    if not args.skip_gpf:
+        if not got_center:
+            msg  = "missing center or size of grid box to write .gpf file for autogrid4" + os_linesep
+            msg += "use --box_size and either --box_center or --box_center_on_reactive_res" + os_linesep
+            msg += "or --ligand and --padding" + os_linesep
+            msg += "Exactly one reactive residue required for --box_center_on_reactive_res" + os_linesep
+            msg += "If a GPF file is not needed (e.g. docking with Vina scoring function) use option --skip_gpf"
+            print("Command line error: " + msg, file=sys.stderr)
+            sys.exit(2)
+        if (args.box_size is None) and (args.padding is None):
+            msg  = "grid box information is needed to dock with the AD4 scoring function." + os_linesep
+            msg += "The grid box center and size will be used to write a GPF file for autogrid" + os_linesep
+            msg += "If a GPF file is not needed (e.g. docking with Vina scoring function) use option --skip_gpf"
+            print("Command line error: " + msg, file=sys.stderr)
+            sys.exit(2)
+
+    if (args.box_center is not None) + (args.ligand is not None) + args.box_center_on_reactive_res > 1:
+        msg = "--box_center, --box_center_on_reactive_res, and --ligand are mutually exclusive options"
+        print("Command line error: " + msg, file=sys.stderr)
+        sys.exit(2)
+
+    return args
+
+def main():
+    args = get_args()
+
+    reactive_atom = {
+        "SER":  "OG", "LYS":  "NZ", "TYR":  "OH", "CYS":  "SG", "HIE": "NE2",
+        "HID": "ND1", "GLU": "OE2", "THR": "OG1", "MET":  "SD",
+    }
+    modified_resnames = set()
+    for react_name_str in args.reactive_name:
+        (resname, name), ok, err = parse_resname_and_name(react_name_str)
+        if ok:
+            if resname in modified_resnames:
+                print("Command line error: repeated resname %s passed to --reactive_resname" % resname + os_linesep, file=sys.stderr)
+                sys.exit(2)
+            modified_resnames.add(resname)
+            reactive_atom[resname] = name
+        else:
+            print("Error in parsing --reactive_name argument" + os_linesep, file=sys.stderr)
+            print(err, file=sys.stderr)
+            sys.exit(2)
+
+    reactive_flexres = {}
+    all_ok = True
+    all_err = ""
+    for resid_string in args.reactive_flexres:
+        res_id, ok, err = parse_residue_string(resid_string)
+        if ok:
+            resname = res_id[1]
+            if resname in reactive_atom:
+                reactive_flexres[res_id] = reactive_atom[resname]
+            else:
+                all_ok = False
+                all_err += "no default reactive name for %s, " % resname
+                all_err += "use --reactive_name or --reactive_name_specific" + os_linesep
+        all_ok &= ok
+        all_err += err
+
+    for string in args.reactive_name_specific:
+        out, ok, err = parse_residue_string_and_name(string)
+        if ok:
+            # override name if res_id was also passed to --reactive_flexres
+            reactive_flexres[out["res_id"]] = out["name"]
+        all_ok &= ok
+        all_err += err
+
+    if len(reactive_flexres) > 8:
+        msg = "got %d reactive_flexres but maximum is 8." % (len(args.reactive_flexres))
+        print("Command line error: " + msg, file=sys.stderr)
+        sys.exit(2)
+
+    all_flexres = set()
+    for resid_string in args.flexres:
+        res_id, ok, err = parse_residue_string(resid_string)
+        all_ok &= ok
+        all_err += err
+        if ok:
+            if res_id in reactive_flexres:
+                all_err += "Command line error: can't determine if %s is reactive or not." % str(res_id) + os_linesep
+                all_err += "Do not pass %s to --flexres if it is reactive." % str(res_id) + os_linesep
+                all_ok = False
+            all_flexres.add(res_id)
+
+    if all_ok:
+        all_flexres = all_flexres.union(reactive_flexres)
+    else:
+        print("Error:", file=sys.stderr)
+        print(all_err, file=sys.stderr)
+        sys.exit(2)
+
+    if len(all_flexres) > 0:
+        print()
+        print("Flexible residues:")
+        print("chain resname resnum is_reactive reactive_atom")
+        string = "%5s%8s%7d%12s%14s"
+        for res_id in all_flexres:
+            chain, resname, resnum = res_id
+            is_react = res_id in reactive_flexres
+            if is_react:
+                react_atom = reactive_flexres[res_id]
+            else:
+                react_atom = ""
+            print(string % (chain, resname, resnum, is_react, react_atom))
+        print()
+
+    if len(reactive_flexres) != 1 and args.box_center_on_reactive_res:
+        msg = "--box_center_on-reactive_res can be used only with one reactive" + os_linesep
+        msg += "residue, but %d reactive residues are set" % len(reactive_flexres)
+        print("Command line error:" + msg, file=sys.stderr)
+        sys.exit(2)
+
+    if args.pdb is not None:
+        receptor = PDBQTReceptor(args.pdb, skip_typing=True)
+        ok, err = receptor.assign_types_charges()
+        check(ok, err)
+    else:
+        receptor = PDBQTReceptor(args.pdbqt)
+
+    any_lig_base_types = ["HD", "C", "A", "N", "NA", "OA", "F", "P", "SA",
+                        "S", "Cl", "CL", "Br", "BR", "I", "Si", "B"]
+
+    pdbqt, ok, err = receptor.write_pdbqt_string(flexres=all_flexres)
+    check(ok, err)
+
+    outpath = pathlib.Path(args.output_filename)
+
+    written_files_log = {"filename": [], "description": []}
+
+    if len(all_flexres) == 0:
+        box_center = args.box_center
+        rigid_fn = str(outpath.with_suffix(".pdbqt"))
+        flex_fn = None
+    else:
+        all_flex_pdbqt = ""
+        reactive_flexres_count = 0
+        for res_id, flexres_pdbqt in pdbqt["flex"].items():
+            if res_id in reactive_flexres:
+                reactive_flexres_count += 1
+                prefix_atype = "%d" % reactive_flexres_count
+                resname = res_id[1]
+                reactive_atom = reactive_flexres[res_id]
+                flexres_pdbqt = PDBQTReceptor.make_flexres_reactive(flexres_pdbqt, reactive_atom, resname, prefix_atype)
+            all_flex_pdbqt += flexres_pdbqt
+
+        suffix = outpath.suffix
+        if outpath.suffix == "":
+            suffix = ".pdbqt"
+        rigid_fn = str(outpath.with_suffix("")) + "_rigid" + suffix
+        flex_fn = str(outpath.with_suffix("")) + "_flex" + suffix
+
+        written_files_log["filename"].append(flex_fn)
+        written_files_log["description"].append("flexible receptor input file")
+        with open(flex_fn, "w") as f:
+            f.write(all_flex_pdbqt)
+
+    written_files_log["filename"].append(rigid_fn)
+    written_files_log["description"].append("static (i.e., rigid) receptor input file")
+    with open(rigid_fn, "w") as f:
+        f.write(pdbqt["rigid"])
+
+    # GPF for autogrid4
+    if not args.skip_gpf:
+        if args.box_center is not None:
+            box_center = args.box_center
+            box_size = args.box_size
+        elif args.box_center_on_reactive_res:
+            # we have only one reactive residue and will set the box center
+            # to be 5 Angstromg away from CB along the CA->CB vector
+            idxs = receptor.atom_idxs_by_res[list(reactive_flexres.keys())[0]]
+            ca = None
+            cb = None
+            for atom in receptor.atoms(idxs):
+                if atom["name"] == "CA":
+                    ca = atom["xyz"]
+                if atom["name"] == "CB":
+                    cb = atom["xyz"]
+            if ca is None or cb is None:
+                check(success=False, error_msg="could not find CA or CB in %s" % reactive_flexres[0])
+            v = (cb - ca)
+            v /= math.sqrt(v[0]**2 + v[1]**2 + v[2]**2) + 1e-8
+            box_center = ca + 5 * v
+            box_size = args.box_size
+        elif args.ligand is not None:
+            box_center, box_size = gridbox.calc_box(args.ligand, args.padding)
+        else:
+            print("Error: No box center specified.", file=sys.stderr)
+            sys.exit(2)
+
+        # write .dat parameter file for B and Si
+        ff_fn = pathlib.Path(rigid_fn).parents[0] / pathlib.Path("boron-silicon-atom_par.dat")
+        written_files_log["filename"].append(str(ff_fn))
+        written_files_log["description"].append("atomic parameters for B and Si (for autogrid)")
+        with open(ff_fn, "w") as f:
+            f.write(gridbox.boron_silicon_atompar)
+        rec_types = set(t for (i, t) in enumerate(receptor.atoms()["atom_type"]) if i not in pdbqt["flex_indices"])
+        gpf_string, npts = gridbox.get_gpf_string(box_center, box_size, rigid_fn, rec_types, any_lig_base_types,
+                                                    ff_param_fname=ff_fn.name)
+        # write GPF
+        gpf_fn = pathlib.Path(rigid_fn).with_suffix(".gpf")
+        written_files_log["filename"].append(str(gpf_fn))
+        written_files_log["description"].append("autogrid input file")
+        with open(gpf_fn, "w") as f:
+            f.write(gpf_string)
+
+        # write a PDB for the box
+        box_fn = str(gpf_fn) + ".pdb"
+        written_files_log["filename"].append(box_fn)
+        written_files_log["description"].append("PDB file to visualize the grid box")
+        with open(box_fn, "w") as f:
+            f.write(gridbox.box_to_pdb_string(box_center, npts))
+
+        # check all flexres are inside the box
+        any_outside = False
+        for atom in receptor.atoms(pdbqt["flex_indices"]):
+            if gridbox.is_point_outside_box(atom["xyz"], box_center, npts):
+                print("WARNING: Flexible residue outside box." + os_linesep, file=sys.stderr)
+                print("WARNING: Strongly recommended to use a box that encompasses flexible residues." + os_linesep, file=sys.stderr)
+                break # only need to warn once
+
+    # configuration info for AutoDock-GPU reactive docking
+    if len(reactive_flexres) > 0:
+        any_lig_reac_types = []
+        for order in (1, 2, 3):
+            for t in any_lig_base_types:
+                any_lig_reac_types.append(reactive_typer.get_reactive_atype(t, order))
+
+        rec_reac_types = []
+        for line in all_flex_pdbqt.split(os_linesep):
+            if line.startswith("ATOM") or line.startswith("HETATM"):
+                atype = line[77:].strip()
+                basetype, _ = reactive_typer.get_basetype_and_order(atype)
+                if basetype is not None: # is None if not reactive
+                    rec_reac_types.append(line[77:].strip())
+
+        derivtypes, modpairs, collisions = get_reactive_config(
+                                        any_lig_reac_types,
+                                        rec_reac_types,
+                                        args.eps_12,
+                                        args.r_eq_12,
+                                        args.r_eq_13_scaling,
+                                        args.r_eq_14_scaling)
+
+        if len(collisions) > 0:
+            collision_str = ""
+            for t1, t2 in collisions:
+                collision_str += "%3s %3s" % (t1, t2) + os_linesep
+            collision_fn = str(outpath.with_suffix(".atype_collisions"))
+            written_files_log["filename"].append(collision_fn)
+            written_files_log["description"].append("type pairs (n=%d) that may lead to intra-molecular reactions" % len(collisions))
+            with open(collision_fn, "w") as f:
+                f.write(collision_str)
+
+        # The maps block is to tell AutoDock-GPU the base types for the reactive types.
+        # This could be done with -T/--derivtypes, but putting derivtypes and intnbp
+        # lines in a single configuration file simplifies the command line call.
+        map_block = ""
+        map_prefix = pathlib.Path(rigid_fn).with_suffix("").name
+        all_types = []
+        for basetype, reactypes in derivtypes.items():
+            all_types.append(basetype)
+            map_block += "map %s.%s.map" % (map_prefix, basetype) + os_linesep
+            for reactype in reactypes:
+                all_types.append(reactype)
+                map_block += "map %s.%s.map" % (map_prefix, basetype) + os_linesep
+        config = "ligand_types " + " ".join(all_types) + os_linesep
+        config += "fld %s.maps.fld" % map_prefix + os_linesep
+        config += map_block
+
+        # in modpairs (dict): types are keys, parameters are values
+        # now we will write a configuration file with nbp keywords
+        # that AD-GPU reads using the --import_dpf flag
+        # nbp stands for "non-bonded potential" or "non-bonded pairwise"
+        line = "intnbp_r_eps %8.6f %8.6f %3d %3d %4s %4s" + os_linesep
+        nbp_count = 0
+        for (t1, t2), param in modpairs.items():
+            config += line % (param["r_eq"], param["eps"], param["n"], param["m"], t1, t2)
+            nbp_count += 1
+        config_fn = str(outpath.with_suffix(".reactive_config"))
+        written_files_log["filename"].append(config_fn)
+        written_files_log["description"].append("reactive parameters for AutoDock-GPU")
+        with open(config_fn, "w") as f:
+            f.write(config)
+        print()
+        print("For reactive docking, pass the configuration file to AutoDock-GPU:")
+        print("    autodock_gpu -C 1 --import_dpf %s --flexres %s -L <ligand_filename>" % (config_fn, flex_fn))
+        print()
+
+    print()
+    print("Files written:")
+    longest_fn = max([len(fn) for fn in written_files_log["filename"]])
+    line = "%%%ds <-- " % longest_fn + "%s"
+    for fn, desc in zip(written_files_log["filename"], written_files_log["description"]):
+        print(line % (fn, desc))
+    return
+
+if __name__ == "__main__":
+    sys.exit(main())
\ No newline at end of file
diff --git a/meeko/rdkit_mol_create.py b/meeko/rdkit_mol_create.py
index 85abdc32..a623fcbf 100644
--- a/meeko/rdkit_mol_create.py
+++ b/meeko/rdkit_mol_create.py
@@ -8,7 +8,7 @@
 from rdkit import Chem
 from rdkit.Geometry import Point3D
 from rdkit.Chem import AllChem
-from rdkit.six import StringIO
+from io import StringIO
 import json
 import os
 
diff --git a/scripts/mk_export.py b/scripts/mk_export.py
deleted file mode 100755
index bddfb78b..00000000
--- a/scripts/mk_export.py
+++ /dev/null
@@ -1,111 +0,0 @@
-#!/usr/bin/env python
-# -*- coding: utf-8 -*-
-#
-#
-
-import argparse
-import gzip
-import os
-import sys
-import warnings
-
-from rdkit import Chem
-
-from meeko import PDBQTMolecule
-from meeko import RDKitMolCreate
-
-try:
-    from openbabel import openbabel as ob
-    from meeko import obutils # fails if openbabel not available
-except:
-    _has_openbabel = False
-else:
-    _has_openbabel = True
-
-
-def cmd_lineparser():
-    parser = argparse.ArgumentParser(description='Export docking results to SDF format')
-    parser.add_argument(dest='docking_results_filename', nargs = "+",
-                        action='store', help='Docking output file, either a PDBQT \
-                        file from Vina or a DLG file from AD-GPU.')
-    parser.add_argument('-i', '--original_input', dest='template_filename',
-                        action='store', help='[not recommended] Template molecule file, i.e. the original \
-                        file that was used to prepare the PDBQT filename (hopefully SDF). \
-                        This option requires OpenBabel, and is kept only for backwards compatibility with \
-                        meeko v0.2.* and older, because it is only since v0.3.* that the SMILES string is \
-                        added to a PDBQT remark and used to initialize an RDKit molecule.')
-    parser.add_argument('-o', '--output_filename', dest='output_filename',
-                        action='store', help='Output molecule filename. If not specified, suffix _docked is \
-                        added to the filename based on the input molecule file, and using the same \
-                        molecule file format')
-    parser.add_argument('-s', '--suffix', dest='suffix_name', default='_docked',
-                        action='store', help='Add suffix to output filename if -o/--output_filename \
-                        not specified. WARNING: If specified as empty string (\'\'), this will overwrite \
-                        the original molecule input file (default: _docked).')
-    parser.add_argument('-c', '--only_cluster_leads', action='store_true',
-                        help='Keep top pose from each AutoDock-GPU cluster, sorted by \
-                        predicted free energy of cluster lead.')
-    parser.add_argument('-', '--',  dest='redirect_stdout', action='store_true',
-                        help='do not write file, redirect output to STDOUT. Arguments -o/--output_filename \
-                        is ignored.')
-    return parser.parse_args()
-
-args = cmd_lineparser()
-
-docking_results_filenames = args.docking_results_filename
-template_filename = args.template_filename
-output_filename = args.output_filename
-suffix_name = args.suffix_name
-only_cluster_leads = args.only_cluster_leads
-redirect_stdout = args.redirect_stdout
-
-if output_filename is not None and len(docking_results_filenames) > 1:
-    print("Option -o/--output_filename incompatible with multiple input files", file=sys.stderr)
-    sys.exit()
- 
-for filename in docking_results_filenames:
-    is_dlg = filename.endswith('.dlg') or filename.endswith(".dlg.gz")
-    if filename.endswith(".gz"):
-        with gzip.open(filename) as f:
-            string = f.read().decode()
-    else:
-        with open(filename) as f:
-            string = f.read()
-    pdbqt_mol = PDBQTMolecule(string, is_dlg=is_dlg, skip_typing=True)
-
-    if template_filename is not None: # OBMol from template_filename
-        if not _has_openbabel:
-            raise ImportError('-i/--original_input requires openbabel which is not available')
-        if output_filename is not None:
-            output_format = os.path.splitext(output_filename)[1][1:]
-        else:
-            output_format = os.path.splitext(template_filename)[1][1:]
-        conv = ob.OBConversion()
-        success = conv.SetOutFormat(output_format)
-        if not success:
-            raise RuntimeError('Input molecule file format %s not recognized by OpenBabel.' % output_format)
-        ori_obmol = obutils.load_molecule_from_file(template_filename)
-        for pose in pdbqt_mol:
-            copy_obmol = ob.OBMol(ori_obmol) # connectivity may be corrupted by removing and adding Hs multiple times
-            pose.copy_coordinates_to_obmol(copy_obmol)
-            output_string = conv.WriteString(copy_obmol)
-    else: # RDKit mol from SMILES in docking output PDBQT remarks
-        output_string, failures = RDKitMolCreate.write_sd_string(
-                pdbqt_mol, only_cluster_leads=only_cluster_leads)
-        output_format = 'sdf'
-        for i in failures:
-            warnings.warn("molecule %d not converted to RDKit/SD File" % i)
-        if len(failures) == len(pdbqt_mol._atom_annotations["mol_index"]):
-            msg = "\nCould not convert to RDKit. Maybe meeko was not used for preparing\n"
-            msg += "the input PDBQT for docking, and the SMILES string is missing?\n"
-            msg += "Except for standard protein sidechains, all ligands and flexible residues\n"
-            msg += "require a REMARK SMILES line in the PDBQT, which is added automatically by meeko."
-            raise RuntimeError(msg)
-    if not redirect_stdout:
-        if output_filename is None:
-            fn = '%s%s.%s' % (os.path.splitext(filename)[0], suffix_name, output_format)
-        else:
-            fn = output_filename
-        print(output_string, file=open(fn, 'w'))
-    else:
-        print(output_string)
diff --git a/scripts/mk_prepare_receptor.py b/scripts/mk_prepare_receptor.py
deleted file mode 100755
index a2dc1d3b..00000000
--- a/scripts/mk_prepare_receptor.py
+++ /dev/null
@@ -1,441 +0,0 @@
-#!/usr/bin/env python
-
-import argparse
-import json
-import math
-from os import linesep as os_linesep
-import pathlib
-import sys
-
-from meeko import PDBQTReceptor
-from meeko import reactive_typer
-from meeko import get_reactive_config
-from meeko import gridbox
-
-path_to_this_script = pathlib.Path(__file__).resolve()
-
-def parse_residue_string(string):
-    """
-    Args:
-        string (str): Residue identifier in the format 'chain:resname:resnum'.
-
-    Returns:
-        tuple: Residue identifier components: (chain, resname, resnum).
-        bool: Whether the parsing was successful or not.
-        str: An error message describing any encountered parsing errors.
-
-    Example:
-        >>> parse_residue_string("A:ALA:42")
-        (('A', 'ALA', 42), True, '')
-    """
-
-    ok = True
-    err = ""
-    res_id = (None, None, None)
-    if string.count(":") != 2:
-        ok = False
-        err += "Need exacly two ':' but found %d in '%s'" % (string.count(":"), string) + os_linesep
-        err += "Example: 'A:HIE:42'" + os_linesep
-        return res_id, ok, err
-    chain, resname, resnum = string.split(":")
-    if len(chain) not in (0, 1):
-        ok = False
-        err += "chain must be 0 or 1 char but it is '%s' (%d chars) in '%s'" % (chain, len(chain), string) + os_linesep
-    if len(resname) > 3:
-        ok = False
-        err += "resname must be max 3 characters long, but is '%s' in '%s'" % (resname, string) + os_linesep
-    try:
-        resnum = int(resnum)
-    except:
-        ok = False
-        err += "resnum could not be converted to integer, it was '%s' in '%s'" % (resnum, string) + os_linesep
-    if ok:
-        res_id = (chain, resname, resnum)
-    return res_id, ok, err
-
-def parse_residue_string_and_name(string):
-    """
-    Example:
-        >>> parse_residue_string_and_name("A:HIE:42:CE1")
-        ({"res_id": ('A', 'ALA', 42), "name": "CE1"}, True, '')
-    """
-    ok = True
-    err = ""
-    output = {"res_id": (None, None, None),
-              "name": None}
-    if string.count(":") != 3:
-        ok = False
-        err += "Need three ':' but found %d in %s" % (string.count(":"), string) + os_linesep
-        err += "Example: 'A:HIE:42:CE1'" + os_linesep
-        return output, ok, err
-
-    resid_string, name = string.rsplit(":", 1)
-    output["name"] = name
-    res_id, ok_, err_ = parse_residue_string(resid_string)
-    output["res_id"] = res_id
-    ok &= ok_
-    err += err_
-    return output, ok, err
-
-def parse_resname_and_name(string):
-    """
-    Example:
-        >>> parse_resname_and_name("HIE:CE1")
-        (("HIE", "CE1"), True, "")
-    """
-    ok = True
-    err = ""
-    output = (None, None)
-    if string.count(":") != 1:
-        ok = False
-        err += "Expected one ':' but found %d in %s" % (string.count(":"), string) + os_linesep
-        err += "Example: 'HIE:CE1'" + os_linesep
-        return output, ok, err
-    resname, name = string.split(":")
-    return (resname, name), ok, err
-
-
-
-
-class TalkativeParser(argparse.ArgumentParser):
-    def error(self, message):
-        """overload to print_help for every error"""
-        self.print_help()
-        this_script = path_to_this_script.name
-        print('\n%s: error: %s' % (this_script, message), file=sys.stderr)
-        sys.exit(2)
-
-def check(success, error_msg):
-    if not success:
-        print("Error: " + error_msg, file=sys.stderr)
-        sys.exit(2)
-
-def get_args():
-    parser = TalkativeParser()
-    parser.add_argument('--pdb', help="input can be PDBQT but charges and types will be reassigned")
-    parser.add_argument('--pdbqt', help="keeps existing charges and types")
-    parser.add_argument('-o', '--output_filename', required=True, help="adds _rigid/_flex with flexible residues. Always suffixes .pdbqt.")
-    parser.add_argument('-f', '--flexres', action="append", default=[],
-                        help="repeat flag for each residue, e.g: -f \" :LYS:42\" -f \"B:TYR:23\" and keep space for empty chain")
-    parser.add_argument('-r', '--reactive_flexres', action="append", default=[],
-                        help="same as --flexres but for reactive residues (max 8)")
-    parser.add_argument('-g', '--reactive_name', action="append", default=[],
-                        help="set name of reactive atom of a residue type, e.g: -g 'TRP:NE1'. Overridden by --reactive_name_specific")
-    parser.add_argument('-s', '--reactive_name_specific', action="append", default=[],
-                        help="set name of reactive atom for an individual residue, e.g: -s 'A:HIE:42:NE2'. Residue will be reactive.")
-    #parser.add_argument('-b', '--gridbox_filename', help="set grid box size and center using a Vina configuration file")
-    parser.add_argument('--box_size', help="size of grid box (x, y, z) in Angstrom", nargs=3, type=float)
-    parser.add_argument('--box_center', help="center of grid box (x, y, z) in Angstrom", nargs=3, type=float)
-    parser.add_argument('--box_center_on_reactive_res', help="project center of grid box along CA-CB bond 5 A away from CB", action="store_true")
-    parser.add_argument('--ligand', help="PDBQT of reference ligand")
-    parser.add_argument('--padding', help="padding around reference ligand [A]", type=float)
-    parser.add_argument('--skip_gpf', help="do not write a GPF file for autogrid", action="store_true")
-    parser.add_argument('--r_eq_12', default=1.8, type=float, help="r_eq for reactive atoms (1-2 interaction)")
-    parser.add_argument('--eps_12', default=2.5, type=float, help="epsilon for reactive atoms (1-2 interaction)")
-    parser.add_argument('--r_eq_13_scaling', default=0.5, type=float, help="r_eq scaling for 1-3 interaction across reactive atoms")
-    parser.add_argument('--r_eq_14_scaling', default=0.5, type=float, help="r_eq scaling for 1-4 interaction across reactive atoms")
-    args = parser.parse_args()
-
-    if (args.pdb is None) == (args.pdbqt is None):
-        msg = "need either --pdb or --pdbqt"
-        print("Command line error: " + msg, file=sys.stderr)
-        sys.exit(2)
-    if (args.box_center is not None) and args.box_center_on_reactive_res:
-        msg = "can't use both --box_center and --box_center_on_reactive_res"
-        print("Command line error: " + msg, file=sys.stderr)
-        sys.exit(2)
-    got_center = (args.box_center is not None) or args.box_center_on_reactive_res or (args.ligand is not None)
-    if not args.skip_gpf:
-        if not got_center:
-            msg  = "missing center or size of grid box to write .gpf file for autogrid4" + os_linesep
-            msg += "use --box_size and either --box_center or --box_center_on_reactive_res" + os_linesep
-            msg += "or --ligand and --padding" + os_linesep
-            msg += "Exactly one reactive residue required for --box_center_on_reactive_res" + os_linesep
-            msg += "If a GPF file is not needed (e.g. docking with Vina scoring function) use option --skip_gpf"
-            print("Command line error: " + msg, file=sys.stderr)
-            sys.exit(2)
-        if (args.box_size is None) and (args.padding is None):
-            msg  = "grid box information is needed to dock with the AD4 scoring function." + os_linesep
-            msg += "The grid box center and size will be used to write a GPF file for autogrid" + os_linesep
-            msg += "If a GPF file is not needed (e.g. docking with Vina scoring function) use option --skip_gpf"
-            print("Command line error: " + msg, file=sys.stderr)
-            sys.exit(2)
-
-    if (args.box_center is not None) + (args.ligand is not None) + args.box_center_on_reactive_res > 1:
-        msg = "--box_center, --box_center_on_reactive_res, and --ligand are mutually exclusive options"
-        print("Command line error: " + msg, file=sys.stderr)
-        sys.exit(2)
-
-    return args
-
-args = get_args()
-
-reactive_atom = {
-    "SER":  "OG", "LYS":  "NZ", "TYR":  "OH", "CYS":  "SG", "HIE": "NE2",
-    "HID": "ND1", "GLU": "OE2", "THR": "OG1", "MET":  "SD",
-}
-modified_resnames = set()
-for react_name_str in args.reactive_name:
-    (resname, name), ok, err = parse_resname_and_name(react_name_str)
-    if ok:
-        if resname in modified_resnames:
-            print("Command line error: repeated resname %s passed to --reactive_resname" % resname + os_linesep, file=sys.stderr)
-            sys.exit(2)
-        modified_resnames.add(resname)
-        reactive_atom[resname] = name
-    else:
-        print("Error in parsing --reactive_name argument" + os_linesep, file=sys.stderr)
-        print(err, file=sys.stderr)
-        sys.exit(2)
-
-reactive_flexres = {}
-all_ok = True
-all_err = ""
-for resid_string in args.reactive_flexres:
-    res_id, ok, err = parse_residue_string(resid_string)
-    if ok:
-        resname = res_id[1]
-        if resname in reactive_atom:
-            reactive_flexres[res_id] = reactive_atom[resname]
-        else:
-            all_ok = False
-            all_err += "no default reactive name for %s, " % resname
-            all_err += "use --reactive_name or --reactive_name_specific" + os_linesep
-    all_ok &= ok
-    all_err += err
-
-for string in args.reactive_name_specific:
-    out, ok, err = parse_residue_string_and_name(string)
-    if ok:
-        # override name if res_id was also passed to --reactive_flexres
-        reactive_flexres[out["res_id"]] = out["name"]
-    all_ok &= ok
-    all_err += err
-
-if len(reactive_flexres) > 8:
-    msg = "got %d reactive_flexres but maximum is 8." % (len(args.reactive_flexres))
-    print("Command line error: " + msg, file=sys.stderr)
-    sys.exit(2)
-
-all_flexres = set()
-for resid_string in args.flexres:
-    res_id, ok, err = parse_residue_string(resid_string)
-    all_ok &= ok
-    all_err += err
-    if ok:
-        if res_id in reactive_flexres:
-            all_err += "Command line error: can't determine if %s is reactive or not." % str(res_id) + os_linesep
-            all_err += "Do not pass %s to --flexres if it is reactive." % str(res_id) + os_linesep
-            all_ok = False
-        all_flexres.add(res_id)
-
-if all_ok:
-    all_flexres = all_flexres.union(reactive_flexres)
-else:
-    print("Error:", file=sys.stderr)
-    print(all_err, file=sys.stderr)
-    sys.exit(2)
-
-if len(all_flexres) > 0:
-    print()
-    print("Flexible residues:")
-    print("chain resname resnum is_reactive reactive_atom")
-    string = "%5s%8s%7d%12s%14s"
-    for res_id in all_flexres:
-        chain, resname, resnum = res_id
-        is_react = res_id in reactive_flexres
-        if is_react:
-            react_atom = reactive_flexres[res_id]
-        else:
-            react_atom = ""
-        print(string % (chain, resname, resnum, is_react, react_atom))
-    print()
-
-if len(reactive_flexres) != 1 and args.box_center_on_reactive_res:
-    msg = "--box_center_on-reactive_res can be used only with one reactive" + os_linesep
-    msg += "residue, but %d reactive residues are set" % len(reactive_flexres)
-    print("Command line error:" + msg, file=sys.stderr)
-    sys.exit(2)
-
-if args.pdb is not None:
-    receptor = PDBQTReceptor(args.pdb, skip_typing=True)
-    ok, err = receptor.assign_types_charges()
-    check(ok, err)
-else:
-    receptor = PDBQTReceptor(args.pdbqt)
-
-any_lig_base_types = ["HD", "C", "A", "N", "NA", "OA", "F", "P", "SA",
-                      "S", "Cl", "CL", "Br", "BR", "I", "Si", "B"]
-
-pdbqt, ok, err = receptor.write_pdbqt_string(flexres=all_flexres)
-check(ok, err)
-
-outpath = pathlib.Path(args.output_filename)
-
-written_files_log = {"filename": [], "description": []}
-
-if len(all_flexres) == 0:
-    box_center = args.box_center
-    rigid_fn = str(outpath.with_suffix(".pdbqt"))
-    flex_fn = None
-else:
-    all_flex_pdbqt = ""
-    reactive_flexres_count = 0
-    for res_id, flexres_pdbqt in pdbqt["flex"].items():
-        if res_id in reactive_flexres:
-            reactive_flexres_count += 1
-            prefix_atype = "%d" % reactive_flexres_count
-            resname = res_id[1]
-            reactive_atom = reactive_flexres[res_id]
-            flexres_pdbqt = PDBQTReceptor.make_flexres_reactive(flexres_pdbqt, reactive_atom, resname, prefix_atype)
-        all_flex_pdbqt += flexres_pdbqt
-
-    suffix = outpath.suffix
-    if outpath.suffix == "":
-        suffix = ".pdbqt"
-    rigid_fn = str(outpath.with_suffix("")) + "_rigid" + suffix
-    flex_fn = str(outpath.with_suffix("")) + "_flex" + suffix
-
-    written_files_log["filename"].append(flex_fn)
-    written_files_log["description"].append("flexible receptor input file")
-    with open(flex_fn, "w") as f:
-        f.write(all_flex_pdbqt)
-
-written_files_log["filename"].append(rigid_fn)
-written_files_log["description"].append("static (i.e., rigid) receptor input file")
-with open(rigid_fn, "w") as f:
-    f.write(pdbqt["rigid"])
-
-# GPF for autogrid4
-if not args.skip_gpf:
-    if args.box_center is not None:
-        box_center = args.box_center
-        box_size = args.box_size
-    elif args.box_center_on_reactive_res:
-        # we have only one reactive residue and will set the box center
-        # to be 5 Angstromg away from CB along the CA->CB vector
-        idxs = receptor.atom_idxs_by_res[list(reactive_flexres.keys())[0]]
-        ca = None
-        cb = None
-        for atom in receptor.atoms(idxs):
-            if atom["name"] == "CA":
-                ca = atom["xyz"]
-            if atom["name"] == "CB":
-                cb = atom["xyz"]
-        if ca is None or cb is None:
-            check(success=False, error_msg="could not find CA or CB in %s" % reactive_flexres[0])
-        v = (cb - ca)
-        v /= math.sqrt(v[0]**2 + v[1]**2 + v[2]**2) + 1e-8
-        box_center = ca + 5 * v
-        box_size = args.box_size
-    elif args.ligand is not None:
-        box_center, box_size = gridbox.calc_box(args.ligand, args.padding)
-    else:
-        print("Error: No box center specified.", file=sys.stderr)
-        sys.exit(2)
-
-    # write .dat parameter file for B and Si
-    ff_fn = pathlib.Path(rigid_fn).parents[0] / pathlib.Path("boron-silicon-atom_par.dat")
-    written_files_log["filename"].append(str(ff_fn))
-    written_files_log["description"].append("atomic parameters for B and Si (for autogrid)")
-    with open(ff_fn, "w") as f:
-        f.write(gridbox.boron_silicon_atompar)
-    rec_types = set(t for (i, t) in enumerate(receptor.atoms()["atom_type"]) if i not in pdbqt["flex_indices"])
-    gpf_string, npts = gridbox.get_gpf_string(box_center, box_size, rigid_fn, rec_types, any_lig_base_types,
-                                                ff_param_fname=ff_fn.name)
-    # write GPF
-    gpf_fn = pathlib.Path(rigid_fn).with_suffix(".gpf")
-    written_files_log["filename"].append(str(gpf_fn))
-    written_files_log["description"].append("autogrid input file")
-    with open(gpf_fn, "w") as f:
-        f.write(gpf_string)
-
-    # write a PDB for the box
-    box_fn = str(gpf_fn) + ".pdb"
-    written_files_log["filename"].append(box_fn)
-    written_files_log["description"].append("PDB file to visualize the grid box")
-    with open(box_fn, "w") as f:
-        f.write(gridbox.box_to_pdb_string(box_center, npts))
-
-    # check all flexres are inside the box
-    any_outside = False
-    for atom in receptor.atoms(pdbqt["flex_indices"]):
-        if gridbox.is_point_outside_box(atom["xyz"], box_center, npts):
-            print("WARNING: Flexible residue outside box." + os_linesep, file=sys.stderr)
-            print("WARNING: Strongly recommended to use a box that encompasses flexible residues." + os_linesep, file=sys.stderr)
-            break # only need to warn once
-
-# configuration info for AutoDock-GPU reactive docking
-if len(reactive_flexres) > 0:
-    any_lig_reac_types = []
-    for order in (1, 2, 3):
-        for t in any_lig_base_types:
-            any_lig_reac_types.append(reactive_typer.get_reactive_atype(t, order))
-
-    rec_reac_types = []
-    for line in all_flex_pdbqt.split(os_linesep):
-        if line.startswith("ATOM") or line.startswith("HETATM"):
-            atype = line[77:].strip()
-            basetype, _ = reactive_typer.get_basetype_and_order(atype)
-            if basetype is not None: # is None if not reactive
-                rec_reac_types.append(line[77:].strip())
-
-    derivtypes, modpairs, collisions = get_reactive_config(
-                                    any_lig_reac_types,
-                                    rec_reac_types,
-                                    args.eps_12,
-                                    args.r_eq_12,
-                                    args.r_eq_13_scaling,
-                                    args.r_eq_14_scaling)
-
-    if len(collisions) > 0:
-        collision_str = ""
-        for t1, t2 in collisions:
-            collision_str += "%3s %3s" % (t1, t2) + os_linesep
-        collision_fn = str(outpath.with_suffix(".atype_collisions"))
-        written_files_log["filename"].append(collision_fn)
-        written_files_log["description"].append("type pairs (n=%d) that may lead to intra-molecular reactions" % len(collisions))
-        with open(collision_fn, "w") as f:
-            f.write(collision_str)
-
-    # The maps block is to tell AutoDock-GPU the base types for the reactive types.
-    # This could be done with -T/--derivtypes, but putting derivtypes and intnbp
-    # lines in a single configuration file simplifies the command line call.
-    map_block = ""
-    map_prefix = pathlib.Path(rigid_fn).with_suffix("").name
-    all_types = []
-    for basetype, reactypes in derivtypes.items():
-        all_types.append(basetype)
-        map_block += "map %s.%s.map" % (map_prefix, basetype) + os_linesep
-        for reactype in reactypes:
-            all_types.append(reactype)
-            map_block += "map %s.%s.map" % (map_prefix, basetype) + os_linesep
-    config = "ligand_types " + " ".join(all_types) + os_linesep
-    config += "fld %s.maps.fld" % map_prefix + os_linesep
-    config += map_block
-
-    # in modpairs (dict): types are keys, parameters are values
-    # now we will write a configuration file with nbp keywords
-    # that AD-GPU reads using the --import_dpf flag
-    # nbp stands for "non-bonded potential" or "non-bonded pairwise"
-    line = "intnbp_r_eps %8.6f %8.6f %3d %3d %4s %4s" + os_linesep
-    nbp_count = 0
-    for (t1, t2), param in modpairs.items():
-        config += line % (param["r_eq"], param["eps"], param["n"], param["m"], t1, t2)
-        nbp_count += 1
-    config_fn = str(outpath.with_suffix(".reactive_config"))
-    written_files_log["filename"].append(config_fn)
-    written_files_log["description"].append("reactive parameters for AutoDock-GPU")
-    with open(config_fn, "w") as f:
-        f.write(config)
-    print()
-    print("For reactive docking, pass the configuration file to AutoDock-GPU:")
-    print("    autodock_gpu -C 1 --import_dpf %s --flexres %s -L <ligand_filename>" % (config_fn, flex_fn))
-    print()
-
-print()
-print("Files written:")
-longest_fn = max([len(fn) for fn in written_files_log["filename"]])
-line = "%%%ds <-- " % longest_fn + "%s"
-for fn, desc in zip(written_files_log["filename"], written_files_log["description"]):
-    print(line % (fn, desc))
diff --git a/setup.py b/setup.py
index 325f247d..701da085 100644
--- a/setup.py
+++ b/setup.py
@@ -21,7 +21,7 @@ def find_files(directory):
 
 setup(
     name="meeko",
-    version='0.5.0',
+    version='0.5.1',
     author="Forli Lab",
     author_email="forli@scripps.edu",
     url="https://github.com/ccsb-scripps/meeko",
@@ -29,16 +29,6 @@ def find_files(directory):
     long_description=open(os.path.join(base_dir, 'README.md')).read(),
     long_description_content_type="text/markdown",
     packages=find_packages(),
-    scripts=["scripts/mk_prepare_ligand.py",
-             "scripts/mk_prepare_receptor.py",
-             "scripts/mk_export.py",
-           #"scripts/dry.py",
-           #"scripts/mapwater.py",
-           #"scripts/wet.py"],
-            ],
-    package_data={"meeko" : ["data/*"]},
-    data_files=[("", ["README.md", "LICENSE"]),
-                ("scripts", find_files("scripts"))],
     include_package_data=True,
     zip_safe=False,
     install_requires=['numpy>=1.18'],
@@ -66,5 +56,12 @@ def find_files(directory):
         'Topic :: Scientific/Engineering :: Bio-Informatics',
         'Topic :: Scientific/Engineering :: Chemistry',
         'Topic :: Software Development :: Libraries'
-    ]
+    ],
+    entry_points={
+        'console_scripts': [
+            'mk_export=meeko.cli.mk_export:main',
+            'mk_prepare_ligand=meeko.cli.mk_prepare_ligand:main',
+            'mk_prepare_receptor=meeko.cli.mk_prepare_receptor:main'
+        ]
+    }
 )

From 03d4168a72cb0d52043852ae388f025e5461e84c Mon Sep 17 00:00:00 2001
From: nbruciaferri <nbruciaferri@gmail.com>
Date: Wed, 22 May 2024 14:05:57 -0700
Subject: [PATCH 003/166] Adjusted python versions to accomodate prody

---
 setup.py | 15 +++++----------
 1 file changed, 5 insertions(+), 10 deletions(-)

diff --git a/setup.py b/setup.py
index 08916d46..6470ca4d 100644
--- a/setup.py
+++ b/setup.py
@@ -32,7 +32,7 @@ def find_files(directory):
     include_package_data=True,
     zip_safe=False,
     install_requires=['numpy>=1.18'],
-    python_requires='>=3.5',
+    python_requires='>=3.5, <3.12',
     license="LGPL-2.1",
     keywords=["molecular modeling", "drug design",
             "docking", "autodock"],
@@ -44,24 +44,19 @@ def find_files(directory):
         'License :: OSI Approved :: GNU Lesser General Public License v2 or later (LGPLv2+)',
         'Natural Language :: English',
         'Operating System :: MacOS :: MacOS X',
-        #'Operating System :: Microsoft :: Windows',
         'Operating System :: OS Independent',
         'Operating System :: POSIX :: Linux',
         'Programming Language :: C++',
-        'Programming Language :: Python :: 3.5',
-        'Programming Language :: Python :: 3.6',
-        'Programming Language :: Python :: 3.7',
-        'Programming Language :: Python :: 3.8',
-        'Programming Language :: Python :: 3.9',
+        'Programming Language :: Python',
         'Topic :: Scientific/Engineering :: Bio-Informatics',
         'Topic :: Scientific/Engineering :: Chemistry',
         'Topic :: Software Development :: Libraries'
     ],
     entry_points={
         'console_scripts': [
-            'mk_export=meeko.cli.mk_export:main',
-            'mk_prepare_ligand=meeko.cli.mk_prepare_ligand:main',
-            'mk_prepare_receptor=meeko.cli.mk_prepare_receptor:main'
+            'mk_export.py=meeko.cli.mk_export:main',
+            'mk_prepare_ligand.py=meeko.cli.mk_prepare_ligand:main',
+            'mk_prepare_receptor.py=meeko.cli.mk_prepare_receptor:main'
         ]
     }
 )

From b7cc4dca7a5e4897492ba9fa94b1c7eaea974307 Mon Sep 17 00:00:00 2001
From: diogom <diogom@scripps.edu>
Date: Fri, 16 Aug 2024 19:07:13 -0700
Subject: [PATCH 004/166] make prody optional

---
 meeko/linked_rdkit_chorizo.py  | 16 +++++++++++++---
 scripts/mk_prepare_receptor.py | 17 +++++++++++++----
 2 files changed, 26 insertions(+), 7 deletions(-)

diff --git a/meeko/linked_rdkit_chorizo.py b/meeko/linked_rdkit_chorizo.py
index 8c120f69..ba2a993e 100644
--- a/meeko/linked_rdkit_chorizo.py
+++ b/meeko/linked_rdkit_chorizo.py
@@ -9,19 +9,29 @@
 from rdkit.Chem import rdFMCS
 from rdkit.Chem import rdChemReactions
 from rdkit.Chem import rdMolInterchange
-from prody.atomic.atomgroup import AtomGroup
-from prody.atomic.selection import Selection
 
 from .molsetup import RDKitMoleculeSetup
 from .molsetup import MoleculeSetupEncoder
 from .utils.jsonutils import rdkit_mol_from_json
 from .utils.rdkitutils import mini_periodic_table
 from .utils.rdkitutils import react_and_map
-from .utils.prodyutils import prody_to_rdkit, ALLOWED_PRODY_TYPES
 from .utils.pdbutils import PDBAtomInfo
 
 import numpy as np
 
+try:
+    import prody
+except ImportError as _prody_import_error:
+    ALLOWED_PRODY_TYPES = None
+    AtomGroup = None
+    Selection = None
+    def prody_to_rdkit(*args):
+        raise ImportError(_prody_import_error)
+else:
+    from .utils.prodyutils import prody_to_rdkit, ALLOWED_PRODY_TYPES
+    from prody.atomic.atomgroup import AtomGroup
+    from prody.atomic.selection import Selection
+
 
 logger = logging.getLogger("meeko.chorizo")
 
diff --git a/scripts/mk_prepare_receptor.py b/scripts/mk_prepare_receptor.py
index 0c47180d..71082c62 100755
--- a/scripts/mk_prepare_receptor.py
+++ b/scripts/mk_prepare_receptor.py
@@ -23,9 +23,14 @@
 from meeko import gridbox
 from meeko import __file__ as pkg_init_path
 from rdkit import Chem
-import prody
 
-SUPPORTED_PRODY_FORMATS = {"pdb": prody.parsePDB, "cif": prody.parseMMCIF}
+try:
+    import prody
+except ImportError as _prody_import_error:
+    _got_prody = False
+else:
+    SUPPORTED_PRODY_FORMATS = {"pdb": prody.parsePDB, "cif": prody.parseMMCIF}
+    _got_prody = True
 
 path_to_this_script = pathlib.Path(__file__).resolve()
 
@@ -210,9 +215,9 @@ def get_args():
     io_group = parser.add_argument_group("Input/Output")
     io_group.add_argument(
         "--pdb",
-        help="deprecated, use --macromol, still here as non-prody option, no PDBQT",
+        help="non-prody option, reads PDB (not PDBQT)",
     )
-    io_group.add_argument("--macromol", help="PDB/mmCIF input file")
+    io_group.add_argument("--macromol", help="read PDB/mmCIF input file with Prody")
     io_group.add_argument(
         "-o",
         "--output_filename",
@@ -539,6 +544,10 @@ def get_args():
 print(f"{templates=}")
 # create chorizos
 if args.macromol is not None:
+    if not _got_prody:
+        print("option --macromol requires prody, which is not installed")
+        print(_prody_import_error, file=sys.stderr)
+        sys.exit(2)
     ext = pathlib.Path(args.macromol).suffix[1:].lower()
     if ext in SUPPORTED_PRODY_FORMATS:
         parser = SUPPORTED_PRODY_FORMATS[ext]

From fb87315412d875b3ae010831863a9f7969fa8386 Mon Sep 17 00:00:00 2001
From: diogom <diogom@scripps.edu>
Date: Fri, 13 Sep 2024 18:02:33 -0700
Subject: [PATCH 005/166] good bye pickling of chorizo, welcome json

---
 scripts/mk_prepare_receptor.py | 18 +++++++++---------
 1 file changed, 9 insertions(+), 9 deletions(-)

diff --git a/scripts/mk_prepare_receptor.py b/scripts/mk_prepare_receptor.py
index bddcb4e3..42b862f6 100755
--- a/scripts/mk_prepare_receptor.py
+++ b/scripts/mk_prepare_receptor.py
@@ -5,7 +5,6 @@
 import math
 from os import linesep as os_linesep
 import pathlib
-import pickle
 import sys
 
 import numpy as np
@@ -18,6 +17,7 @@
 from meeko import ResidueChemTemplates
 from meeko import PDBQTWriterLegacy
 from meeko import LinkedRDKitChorizo
+from meeko import LinkedRDKitChorizoEncoder
 from meeko import reactive_typer
 from meeko import get_reactive_config
 from meeko import gridbox
@@ -29,10 +29,6 @@
 
 path_to_this_script = pathlib.Path(__file__).resolve()
 
-# the following preservers RDKit Atom properties in the chorizo pickle
-Chem.SetDefaultPickleProperties(Chem.PropertyPickleOptions.AtomProps)  # |
-#                                Chem.PropertyPickleOptions.PrivateProps)
-
 pkg_dir = pathlib.Path(pkg_init_path).parents[0]
 templates_fn = str(pkg_dir / "data" / "residue_chem_templates.json")
 with open(templates_fn) as f:
@@ -116,7 +112,7 @@ def get_args():
         required=True,
         help="adds _rigid/_flex with flexible residues. Always suffixes .pdbqt.",
     )
-    io_group.add_argument("-p", "--chorizo_pickle")
+    io_group.add_argument("-j", "--write_json", help="dump chorizo to JSON file", action="store_true")
 
     config_group = parser.add_argument_group("Receptor perception")
     config_group.add_argument("-n", "--set_template", help="e.g. A:5,7=CYX,B:17=HID")
@@ -498,9 +494,6 @@ def get_args():
 rigid_pdbqt, flex_pdbqt_dict = PDBQTWriterLegacy.write_from_linked_rdkit_chorizo(
     chorizo
 )
-if args.chorizo_pickle is not None:
-    with open(args.chorizo_pickle, "wb") as f:
-        pickle.dump(chorizo, f)
 
 # suggested_config = {}
 # if len(chorizo.suggested_mutations):
@@ -545,6 +538,13 @@ def get_args():
 
 written_files_log = {"filename": [], "description": []}
 
+if args.write_json:
+    fn = str(outpath.with_suffix("")) + ".json"
+    with open(fn, "w") as f:
+        json.dump(chorizo, f, cls=LinkedRDKitChorizoEncoder)
+    written_files_log["filename"].append(fn)
+    written_files_log["description"].append("parameterized receptor object")
+
 if len(all_flexres) == 0:
     box_center = args.box_center
     rigid_fn = str(outpath.with_suffix(".pdbqt"))

From b8987f18b585df51fde6805e2671c7f6b36ff351 Mon Sep 17 00:00:00 2001
From: Amy He <ayhe1768@gmail.com>
Date: Wed, 25 Sep 2024 12:28:15 -0700
Subject: [PATCH 006/166] small fix in prodyutils.py; assign
 rdkit_atom.SetPDBResidueInfo before mol.AddAtom(rdkit_atom)

---
 meeko/utils/prodyutils.py | 6 ++++--
 1 file changed, 4 insertions(+), 2 deletions(-)

diff --git a/meeko/utils/prodyutils.py b/meeko/utils/prodyutils.py
index e1974139..424b0d30 100644
--- a/meeko/utils/prodyutils.py
+++ b/meeko/utils/prodyutils.py
@@ -419,8 +419,7 @@ def _prody_residue_to_rdkit(
         if keep_charges is True:
             partial_charge = atom.GetPartialCharge()
             rdkit_atom.SetProp("_prody_charges", partial_charge)
-        # add atom to the molecule
-        mol.AddAtom(rdkit_atom)
+        
         # store atom coordinates
         x, y, z = atom.getCoords()
         conformer.SetAtomPosition(idx_rdkit, Point3D(x, y, z))
@@ -438,6 +437,9 @@ def _prody_residue_to_rdkit(
         res_info.SetSecondaryStructure(0)
         res_info.SetSegmentNumber(0)
         rdkit_atom.SetPDBResidueInfo(res_info)
+
+        # add atom to the molecule
+        mol.AddAtom(rdkit_atom)
         # bookkeeping
         idx_prody_to_rdkit[idx_prody] = idx_rdkit
         idx_rdkit_to_prody[idx_rdkit] = idx_prody

From 8b53b3d028c8eabf61f80b08be4b89e408fdd640 Mon Sep 17 00:00:00 2001
From: diogom <diogom@scripps.edu>
Date: Wed, 25 Sep 2024 18:30:23 -0700
Subject: [PATCH 007/166] remove unneeded code for prody to rdkit conversion

---
 meeko/utils/prodyutils.py | 247 ++------------------------------------
 1 file changed, 9 insertions(+), 238 deletions(-)

diff --git a/meeko/utils/prodyutils.py b/meeko/utils/prodyutils.py
index 424b0d30..0f66fa3e 100644
--- a/meeko/utils/prodyutils.py
+++ b/meeko/utils/prodyutils.py
@@ -102,7 +102,6 @@ def rdkit_to_prody(
 
 
 ALLOWED_PRODY_TYPES = Union[Selection, AtomGroup, Chain, Residue]
-ALLOWED_PRODY_HIER_TYPES = Union[Selection, AtomGroup, Chain]
 
 
 def prody_to_rdkit(
@@ -170,59 +169,7 @@ def prody_to_rdkit(
     Mol
         RDKit molecule
     """
-    # define the atom group to use (i.e. prody molecule)
-    # print(type(prody_obj), [type(x) for x in (Selection, Residue, Chain)])
-    # if type(prody_obj) in [type(x) for x in (Selection, Residue, Chain)]:
 
-    if isinstance(prody_obj, Residue):
-        function = _prody_residue_to_rdkit
-    else:
-        function = _prody_hierarchy_to_rdkit
-    return function(prody_obj, name, sanitize, keep_bonds, keep_charges)
-
-
-def _prody_hierarchy_to_rdkit(
-    prody_obj: ALLOWED_PRODY_HIER_TYPES,
-    name: str = "molecule",
-    sanitize: bool = True,
-    keep_bonds: bool = False,
-    keep_charges: bool = False,
-) -> Mol:
-    """
-    Specialized function to process ProDy objects with hierachical view (AtomGroup, selections, chains, segments)
-
-    There should be no need to call this function manually, and
-    `prody_to_rdkit` should be used instead.
-
-    Parameters
-    ----------
-    prody_obj : AtomGroup, Selection, Chain
-        This object can be any ProDy class that has a `getHierarchy()` method
-    name : str (default: "molecule")
-        Name of the new RDKit molecule (accessible via Mol.GetProperty("_Name"))
-    sanitize : bool (default: True)
-        perform the sanitization of the RDKit molecule prior to returning it;
-        any exception during this process will be raised as RDKit would do.
-    keep_bonds : bool (default: False)
-        use bonds defined in the ProDy object, instead of perceiving them with
-        RDKit using rdDetermineBonds.DetermineConnectivity()
-    keep_charges : bool (default: False)
-        use partial charges defined in the ProDy object; when True, partial
-        charges are stored as  "_prody_charges" property in the RDKit molecule
-
-    Returns
-    -------
-    Mol
-        RDKit molecul
-    """
-    if hasattr:
-        atom_group = prody_obj
-    else:
-        atom_group = prody_obj.getAtomGroup()
-    # if isinstance(prody_obj, AtomGroup):
-    #     atom_group = prody_obj
-    # else:
-    #     atom_group = prody_obj.getAtomGroup()
     atom_count = len(prody_obj)
     # create rdkit data
     rdmol = Chem.Mol()
@@ -233,182 +180,11 @@ def _prody_hierarchy_to_rdkit(
     idx_rdkit_to_prody = {}
     idx_rdkit = 0
 
-    # create prody hierarchy iterator
-    hierarchy = prody_obj.getHierView()
-
-    # start molecule editing
-    mol.BeginBatchEdit()
-    # iterate chains
-    for chain in hierarchy.iterChains():
-        chain_id = str(chain.getChid())
-        # iterate residues
-        for res in chain.iterResidues():
-            # create a new rdkit residue
-            rdkit_res = Chem.rdchem.AtomPDBResidueInfo()
-            # gather residue info
-            res_name = str(res.getResname())
-            # check if residuee name 8lin std aa
-            monomer_info = Chem.rdchem.AtomMonomerInfo()
-            # TODO define if heteroatom...
-            # if res_name in standard_aa or in standard_na:
-            #     monomer_type = Chem.rdchem.AtomMonomerType.PDBRESIDUE
-            # else:
-            #     monomer_type = Chem.rdchem.AtomMonomerType.OTHER
-            # monomer_info.SetMonomerType(monomer_type)
-            res_num = int(res.getResnum())
-            rdkit_res.SetName(res_name)
-            rdkit_res.SetResidueNumber(res_num)
-            # TODO this is where all residue properties can be saved
-            # TODO set this when coming from proteib
-            # iterate atoms
-            # https://sourceforge.net/p/rdkit/mailman/rdkit-discuss/thread/CAFk1J6MVwDjZky1b6jKJTp%3DVE9zB_jmuZfkNFx%3DZ9sAdsqcJAA%40mail.gmail.com/#msg36474923
-            for atom in res.iterAtoms():
-                # gather atom info
-                idx_prody = int(atom.getIndex())
-                atom_name = str(atom.getName())
-                element = atom.getData("element")
-                # f8x PDB quirks like Zn/ZN
-                if len(element) > 1:
-                    element = f"{element[0]}{element[1].lower()}"
-                atomic_num = periodic_table.GetAtomicNumber(element)
-                rdkit_atom = Chem.Atom(atomic_num)
-                # TODO check which property to use
-                if keep_charges is True:
-                    partial_charge = atom.GetPartialCharge()
-                    rdkit_atom.SetProp("_prody_charges", partial_charge)
-                # add atom to the molecule
-                mol.AddAtom(rdkit_atom)
-                # store atom coordinates
-                x, y, z = atom.getCoords()
-                conformer.SetAtomPosition(idx_rdkit, Point3D(x, y, z))
-                # pdb/residue info
-                # TODO fill values?
-                # TODO passibg values at constructor not working?
-                res_info = Chem.rdchem.AtomPDBResidueInfo()
-                res_info.SetResidueName(res_name)
-                res_info.SetName(atom_name)
-                res_info.SetResidueNumber(res_num)
-                res_info.SetChainId(chain_id)
-                res_info.SetInsertionCode("")
-                res_info.SetTempFactor(0.0)
-                res_info.SetIsHeteroAtom(False)
-                res_info.SetSecondaryStructure(0)
-                res_info.SetSegmentNumber(0)
-                rdkit_atom.SetPDBResidueInfo(res_info)
-                # bookkeeping
-                idx_prody_to_rdkit[idx_prody] = idx_rdkit
-                idx_rdkit_to_prody[idx_rdkit] = idx_prody
-                idx_rdkit += 1
-    # iterate and create bonds
-    if keep_bonds is True:
-        bonds = atom_group.getBonds()
-    else:
-        bonds = None
-    if bonds is not None:
-        for bond in bonds:
-            bond_indices = [int(x) for x in bond.getIndices()]
-            # bond with atoms outside this selection
-            if (
-                not bond_indices[0] in idx_rdkit_to_prody
-                or not bond_indices[1] in idx_rdkit_to_prody
-            ):
-                continue
-            # bond_type = bond_types[bond[-1]]
-            bond_order = 1
-            bond_type = _bondtypes[bond_order]
-            print("bonds", bond_indices, bond)
-            mol.AddBond(bond_indices[0], bond_indices[1], bond_type)
-    # finalize molecule changes
-    mol.CommitBatchEdit()
-    rdmol = mol.GetMol()
-    # add coordinates
-    rdmol.AddConformer(conformer, assignId=True)
-    # the molecule needs bonds, one way or another
-    if bonds is None:
-        rdDetermineBonds.DetermineConnectivity(rdmol)
-    # sanitize the molecule if necessary
-    # TODO before or after ond perception?
-    if sanitize:
-        Chem.SanitizeMol(rdmol)
-    # attach the bookkeeping to the molecule
-    rdmol._idx_prody_to_rdkit = idx_prody_to_rdkit
-    rdmol._idx_rdkit_to_prody = idx_rdkit_to_prody
-    return rdmol
-
-
-def _prody_residue_to_rdkit(
-    prody_res: Residue,
-    name: str = "molecule",
-    sanitize: bool = True,
-    keep_bonds: bool = False,
-    keep_charges: bool = False,
-) -> Mol:
-    """
-    Specialized function to process ProDy Residue objects that do not have
-    a hierachical view.
-
-    There should be no need to call this function manually, and
-    `prody_to_rdkit` should be used instead.
-
-    Parameters
-    ----------
-    prody_res : Residue
-        Prody Residue class
-    name : str (default: "molecule")
-        Name of the new RDKit molecule (accessible via Mol.GetProperty("_Name"))
-    sanitize : bool (default: True)
-        perform the sanitization of the RDKit molecule prior to returning it;
-        any exception during this process will be raised as RDKit would do.
-    keep_bonds : bool (default: False)
-        use bonds defined in the ProDy object, instead of perceiving them with
-        RDKit using rdDetermineBonds.DetermineConnectivity()
-    keep_charges : bool (default: False)
-        use partial charges defined in the ProDy object; when True, partial
-        charges are stored as  "_prody_charges" property in the RDKit molecule
-
-    Returns
-    -------
-    Mol
-        RDKit molecul
-    """
-    atom_count = len(prody_res)
-    atom_group = prody_res.getAtomGroup()
-    # create rdkit data
-    rdmol = Chem.Mol()
-    mol = Chem.EditableMol(rdmol)
-    conformer = Chem.Conformer(atom_count)
-    # initialize boookkeeping objects
-    idx_prody_to_rdkit = {}
-    idx_rdkit_to_prody = {}
-    idx_rdkit = 0
-
     # start molecule editing
     mol.BeginBatchEdit()
-    # get chain info
-    chain_id = str(prody_res.getChid())
-    # create a new rdkit residue
-    rdkit_res = Chem.rdchem.AtomPDBResidueInfo()
-    # gather residue info
-    res_name = str(prody_res.getResname())
-    # check if residuee name 8lin std aa
-    monomer_info = Chem.rdchem.AtomMonomerInfo()
-    # TODO define if heteroatom...
-    # if res_name in standard_aa or in standard_na:
-    #     monomer_type = Chem.rdchem.AtomMonomerType.PDBRESIDUE
-    # else:
-    #     monomer_type = Chem.rdchem.AtomMonomerType.OTHER
-    # monomer_info.SetMonomerType(monomer_type)
-    res_num = int(prody_res.getResnum())
-    rdkit_res.SetName(res_name)
-    rdkit_res.SetResidueNumber(res_num)
-    # TODO this is where all residue properties can be saved
-    # TODO set this when coming from proteib
-    # iterate atoms
-    # https://sourceforge.net/p/rdkit/mailman/rdkit-discuss/thread/CAFk1J6MVwDjZky1b6jKJTp%3DVE9zB_jmuZfkNFx%3DZ9sAdsqcJAA%40mail.gmail.com/#msg36474923
-    for atom in prody_res.iterAtoms():
+    for atom in prody_obj:
         # gather atom info
         idx_prody = int(atom.getIndex())
-        atom_name = str(atom.getName())
         element = atom.getData("element")
         # f8x PDB quirks like Zn/ZN
         if len(element) > 1:
@@ -419,34 +195,29 @@ def _prody_residue_to_rdkit(
         if keep_charges is True:
             partial_charge = atom.GetPartialCharge()
             rdkit_atom.SetProp("_prody_charges", partial_charge)
-        
-        # store atom coordinates
         x, y, z = atom.getCoords()
         conformer.SetAtomPosition(idx_rdkit, Point3D(x, y, z))
-        # pdb/residue info
-        # TODO fill values?
-        # TODO passibg values at constructor not working?
         res_info = Chem.rdchem.AtomPDBResidueInfo()
-        res_info.SetResidueName(res_name)
-        res_info.SetName(atom_name)
-        res_info.SetResidueNumber(res_num)
-        res_info.SetChainId(chain_id)
+        res_info.SetResidueName(str(atom.getResname()))
+        res_info.SetName(str(atom.getName()))
+        res_info.SetResidueNumber(int(atom.getResnum()))
+        res_info.SetChainId(str(atom.getChid()))
         res_info.SetInsertionCode("")
         res_info.SetTempFactor(0.0)
         res_info.SetIsHeteroAtom(False)
         res_info.SetSecondaryStructure(0)
         res_info.SetSegmentNumber(0)
         rdkit_atom.SetPDBResidueInfo(res_info)
-
-        # add atom to the molecule
         mol.AddAtom(rdkit_atom)
-        # bookkeeping
         idx_prody_to_rdkit[idx_prody] = idx_rdkit
         idx_rdkit_to_prody[idx_rdkit] = idx_prody
         idx_rdkit += 1
     # iterate and create bonds
     if keep_bonds is True:
-        bonds = atom_group.getBonds()
+        if isinstance(prody_obj, AtomGroup):
+            bonds = prody_obj.getBonds()
+        else:
+            bonds = prody_obj.getAtomGroup().getBonds()
     else:
         bonds = None
     if bonds is not None:

From 0c0ab25f040d6f9f6c8be3f01957a80ff0b2857c Mon Sep 17 00:00:00 2001
From: Amy He <ayhe1768@gmail.com>
Date: Thu, 26 Sep 2024 02:48:31 -0700
Subject: [PATCH 008/166] define _prody_import_error outside of except

---
 scripts/mk_prepare_receptor.py | 3 ++-
 1 file changed, 2 insertions(+), 1 deletion(-)

diff --git a/scripts/mk_prepare_receptor.py b/scripts/mk_prepare_receptor.py
index 71082c62..0c9a2459 100755
--- a/scripts/mk_prepare_receptor.py
+++ b/scripts/mk_prepare_receptor.py
@@ -26,7 +26,8 @@
 
 try:
     import prody
-except ImportError as _prody_import_error:
+except ImportError as import_error:
+    _prody_import_error = import_error
     _got_prody = False
 else:
     SUPPORTED_PRODY_FORMATS = {"pdb": prody.parsePDB, "cif": prody.parseMMCIF}

From 0619b7fe22d6a4ac7e43715fe20dab7770306a24 Mon Sep 17 00:00:00 2001
From: diogom <diogom@scripps.edu>
Date: Thu, 26 Sep 2024 15:11:38 -0700
Subject: [PATCH 009/166] improve help messages for installing prody when
 optional

---
 scripts/mk_prepare_ligand.py   | 12 ++++++++----
 scripts/mk_prepare_receptor.py | 10 ++++++++--
 2 files changed, 16 insertions(+), 6 deletions(-)

diff --git a/scripts/mk_prepare_ligand.py b/scripts/mk_prepare_ligand.py
index f33de835..50895c0f 100755
--- a/scripts/mk_prepare_ligand.py
+++ b/scripts/mk_prepare_ligand.py
@@ -20,10 +20,10 @@
     from meeko import CovalentBuilder
 
     _prody_parsers = {"pdb": prody.parsePDB, "mmcif": prody.parseMMCIF}
-    warnings.warn("Prody not available, covalent docking won't work", ImportWarning)
-except:
+except ImportError as err:
     _has_prody = False
     _prody_parsers = {}
+    _prody_import_error = err
 else:
     _has_prody = True
 
@@ -231,7 +231,7 @@ def cmd_lineparser():
 
     need_prody_msg = ""
     if not _has_prody:
-        need_prody_msg = ". Needs Prody which is unavailable"
+        need_prody_msg = ". Needs Prody which can be installed from PyPI or conda-forge"
     covalent_group = parser.add_argument_group(
         "Covalent docking (tethered)%s" % (need_prody_msg)
     )
@@ -320,7 +320,11 @@ def cmd_lineparser():
         sys.exit(2)
     is_covalent = num_required_covalent_args == 3
     if is_covalent and not _has_prody:
-        raise ImportError("Covalent docking requires Prody which is not available")
+        msg = "Covalent docking requires Prody which is not installed." + os.linesep
+        msg += "Installable from PyPI (pip install prody) or conda-forge (micromamba install prody)"
+        print(_prody_import_error, file=sys.stderr)
+        print(msg)
+        sys.exit(2)
     if min(args.tether_smarts_indices) < 1:
         print(
             "--tether_smarts_indices is 1-indexed, all values must be greater than zero",
diff --git a/scripts/mk_prepare_receptor.py b/scripts/mk_prepare_receptor.py
index 0c9a2459..4162370a 100755
--- a/scripts/mk_prepare_receptor.py
+++ b/scripts/mk_prepare_receptor.py
@@ -218,7 +218,12 @@ def get_args():
         "--pdb",
         help="non-prody option, reads PDB (not PDBQT)",
     )
-    io_group.add_argument("--macromol", help="read PDB/mmCIF input file with Prody")
+    need_prody_msg = ""
+    # if prody is not installed, the help message is extended to tell
+    # the user how to install prody
+    if not _got_prody:
+        need_prody_msg = " which can be installed from PyPI or conda-forge."
+    io_group.add_argument("--macromol", help=f"read PDB/mmCIF input file with Prody{need_prody_msg}")
     io_group.add_argument(
         "-o",
         "--output_filename",
@@ -546,8 +551,9 @@ def get_args():
 # create chorizos
 if args.macromol is not None:
     if not _got_prody:
-        print("option --macromol requires prody, which is not installed")
         print(_prody_import_error, file=sys.stderr)
+        print("option --macromol requires Prody, which is not installed.")
+        print("Installable from PyPI (pip install prody) or conda-forge (micromamba install prody)")
         sys.exit(2)
     ext = pathlib.Path(args.macromol).suffix[1:].lower()
     if ext in SUPPORTED_PRODY_FORMATS:

From 6c4b3bdd67b658318e13d12568d24a3f02ae9b4a Mon Sep 17 00:00:00 2001
From: Amy He <ayhe1768@gmail.com>
Date: Thu, 26 Sep 2024 17:05:10 -0700
Subject: [PATCH 010/166] add *.DS_Store to .gitignore

---
 .gitignore | 2 ++
 1 file changed, 2 insertions(+)

diff --git a/.gitignore b/.gitignore
index 04a43a26..44e91bf2 100644
--- a/.gitignore
+++ b/.gitignore
@@ -1,3 +1,5 @@
+*.DS_Store
+
 # Byte-compiled / optimized / DLL files
 __pycache__/
 *.py[cod]

From b331229625d61efaf0eb4af6e44a76df84867665 Mon Sep 17 00:00:00 2001
From: Amy He <ayhe1768@gmail.com>
Date: Thu, 26 Sep 2024 17:06:07 -0700
Subject: [PATCH 011/166] add NA residues to residue_chem_templates.json

---
 meeko/data/residue_chem_templates.json | 316 +++++++++++++++++++------
 1 file changed, 239 insertions(+), 77 deletions(-)

diff --git a/meeko/data/residue_chem_templates.json b/meeko/data/residue_chem_templates.json
index be88b194..cfaf3665 100644
--- a/meeko/data/residue_chem_templates.json
+++ b/meeko/data/residue_chem_templates.json
@@ -1,11 +1,14 @@
 {
     "ambiguous": {
-	"G": ["G", "G-5endPO4", "G-3endOH", "G-5endOH"],
-	"A": ["A", "A-5endPO4"],
-	"C": ["C", "C-5endPO4", "C-5endOH"],
-	"U": ["U", "U-5endPO4"],
-	"HIS": ["HIE", "HID", "HIP", "NHIE", "NHID", "NHIP", "CHIE", "CHID", "CHIP"],
-	"TYR": ["TYR", "NTYR", "CTYR"],
+        "A": ["A_", "A", "A3", "A5p", "AN", "A5"],
+        "U": ["U_", "U", "U3", "U5p", "UN", "U5"],
+        "C": ["C_", "C", "C3", "C5p", "CN", "C5"],
+        "G": ["G_", "G", "G3", "G5p", "GN", "G5"],
+        "DA": ["DA_", "DA", "DA3", "DA5p", "DAN", "DA5"],
+        "DT": ["DT_", "DT", "DT3", "DT5p", "DTN", "DT5"],
+        "DC": ["DC_", "DC", "DC3", "DC5p", "DCN", "DC5"],
+        "DG": ["DG_", "DG", "DG3", "DG5p", "DGN", "DG5"],
+		"HIS": ["HIE", "HID", "HIP", "NHIE", "NHID", "NHIP", "CHIE", "CHID", "CHIP"],
     	"CYS": ["CYS", "CYX", "CYX-", "NCYS", "NCYX", "NCYX-", "CCYS", "CCYX", "CCYX-"],
     	"CYX": [       "CYX", "CYX-",         "NCYX", "NCYX-",         "CCYX", "CCYX-"],
     	"CYM": [              "CYX-",                 "NCYX-",                 "CCYX-"],
@@ -85,88 +88,247 @@
 	    "link_labels": {},
 	    "atom_name": ["OW", "HW1", "HW2"]
 	},
+	"A_": {
+		"smiles": "[H]OC1([H])C([H])(N2C([H])=NC3=C2N=C([H])N=C3N([H])[H])OC([H])(C([H])([H])OP(=O)([O-])[O-])C1([H])O[H]",
+		"atom_name": ["HO2'", "O2'", "C2'", "H2'", "C1'", "H1'", "N9", "C8", "H8", "N7", "C5", "C4", "N3", "C2", "H2", "N1", "C6", "N6", "H61", "H62", "O4'", "C4'", "H4'", "C5'", "H5'", "H5''", "O5'", "P", "OP1", "OP3", "OP2", "C3'", "H3'", "O3'", "HO3'"],
+		"link_labels": {}
+	},
+	"A": {
+		"smiles": "[H]OC1([H])C([H])(N2C([H])=NC3=C2N=C([H])N=C3N([H])[H])OC([H])(C([H])([H])OP(=O)[O-])C1([H])O",
+		"atom_name": ["HO2'", "O2'", "C2'", "H2'", "C1'", "H1'", "N9", "C8", "H8", "N7", "C5", "C4", "N3", "C2", "H2", "N1", "C6", "N6", "H61", "H62", "O4'", "C4'", "H4'", "C5'", "H5'", "H5''", "O5'", "P", "OP1", "OP2", "C3'", "H3'", "O3'"],
+		"link_labels": {"27": "5-prime", "32": "3-prime"}
+	},
+	"A3": {
+		"smiles": "[H]OC1([H])C([H])(N2C([H])=NC3=C2N=C([H])N=C3N([H])[H])OC([H])(C([H])([H])OP(=O)[O-])C1([H])O[H]",
+		"atom_name": ["HO2'", "O2'", "C2'", "H2'", "C1'", "H1'", "N9", "C8", "H8", "N7", "C5", "C4", "N3", "C2", "H2", "N1", "C6", "N6", "H61", "H62", "O4'", "C4'", "H4'", "C5'", "H5'", "H5''", "O5'", "P", "OP1", "OP2", "C3'", "H3'", "O3'", "HO3'"],
+		"link_labels": {"27": "5-prime"}
+	},
+	"A5p": {
+		"smiles": "[H]OC1([H])C([H])(N2C([H])=NC3=C2N=C([H])N=C3N([H])[H])OC([H])(C([H])([H])OP(=O)([O-])[O-])C1([H])O",
+		"atom_name": ["HO2'", "O2'", "C2'", "H2'", "C1'", "H1'", "N9", "C8", "H8", "N7", "C5", "C4", "N3", "C2", "H2", "N1", "C6", "N6", "H61", "H62", "O4'", "C4'", "H4'", "C5'", "H5'", "H5''", "O5'", "P", "OP1", "OP3", "OP2", "C3'", "H3'", "O3'"],
+		"link_labels": {"33": "3-prime"}
+	},
+	"U_": {
+		"smiles": "[H]OC1([H])C([H])(N2C(=O)N([H])C(=O)C([H])=C2[H])OC([H])(C([H])([H])OP(=O)([O-])[O-])C1([H])O[H]",
+		"atom_name": ["HO2'", "O2'", "C2'", "H2'", "C1'", "H1'", "N1", "C2", "O2", "N3", "H3", "C4", "O4", "C5", "H5", "C6", "H6", "O4'", "C4'", "H4'", "C5'", "H5'", "H5''", "O5'", "P", "OP1", "OP3", "OP2", "C3'", "H3'", "O3'", "HO3'"],
+		"link_labels": {}
+	},
+	"U": {
+		"smiles": "[H]OC1([H])C([H])(N2C(=O)N([H])C(=O)C([H])=C2[H])OC([H])(C([H])([H])OP(=O)[O-])C1([H])O",
+		"atom_name": ["HO2'", "O2'", "C2'", "H2'", "C1'", "H1'", "N1", "C2", "O2", "N3", "H3", "C4", "O4", "C5", "H5", "C6", "H6", "O4'", "C4'", "H4'", "C5'", "H5'", "H5''", "O5'", "P", "OP1", "OP2", "C3'", "H3'", "O3'"],
+		"link_labels": {"24": "5-prime", "29": "3-prime"}
+	},
+	"U3": {
+		"smiles": "[H]OC1([H])C([H])(N2C(=O)N([H])C(=O)C([H])=C2[H])OC([H])(C([H])([H])OP(=O)[O-])C1([H])O[H]",
+		"atom_name": ["HO2'", "O2'", "C2'", "H2'", "C1'", "H1'", "N1", "C2", "O2", "N3", "H3", "C4", "O4", "C5", "H5", "C6", "H6", "O4'", "C4'", "H4'", "C5'", "H5'", "H5''", "O5'", "P", "OP1", "OP2", "C3'", "H3'", "O3'", "HO3'"],
+		"link_labels": {"24": "5-prime"}
+	},
+	"U5p": {
+		"smiles": "[H]OC1([H])C([H])(N2C(=O)N([H])C(=O)C([H])=C2[H])OC([H])(C([H])([H])OP(=O)([O-])[O-])C1([H])O",
+		"atom_name": ["HO2'", "O2'", "C2'", "H2'", "C1'", "H1'", "N1", "C2", "O2", "N3", "H3", "C4", "O4", "C5", "H5", "C6", "H6", "O4'", "C4'", "H4'", "C5'", "H5'", "H5''", "O5'", "P", "OP1", "OP3", "OP2", "C3'", "H3'", "O3'"],
+		"link_labels": {"30": "3-prime"}
+	},
+	"C_": {
+		"smiles": "[H]OC1([H])C([H])(N2C(=O)N=C(N([H])[H])C([H])=C2[H])OC([H])(C([H])([H])OP(=O)([O-])[O-])C1([H])O[H]",
+		"atom_name": ["HO2'", "O2'", "C2'", "H2'", "C1'", "H1'", "N1", "C2", "O2", "N3", "C4", "N4", "H41", "H42", "C5", "H5", "C6", "H6", "O4'", "C4'", "H4'", "C5'", "H5'", "H5''", "O5'", "P", "OP1", "OP3", "OP2", "C3'", "H3'", "O3'", "HO3'"],
+		"link_labels": {}
+	},
+	"C": {
+		"smiles": "[H]OC1([H])C([H])(N2C(=O)N=C(N([H])[H])C([H])=C2[H])OC([H])(C([H])([H])OP(=O)[O-])C1([H])O",
+		"atom_name": ["HO2'", "O2'", "C2'", "H2'", "C1'", "H1'", "N1", "C2", "O2", "N3", "C4", "N4", "H41", "H42", "C5", "H5", "C6", "H6", "O4'", "C4'", "H4'", "C5'", "H5'", "H5''", "O5'", "P", "OP1", "OP2", "C3'", "H3'", "O3'"],
+		"link_labels": {"25": "5-prime", "30": "3-prime"}
+	},
+	"C3": {
+		"smiles": "[H]OC1([H])C([H])(N2C(=O)N=C(N([H])[H])C([H])=C2[H])OC([H])(C([H])([H])OP(=O)[O-])C1([H])O[H]",
+		"atom_name": ["HO2'", "O2'", "C2'", "H2'", "C1'", "H1'", "N1", "C2", "O2", "N3", "C4", "N4", "H41", "H42", "C5", "H5", "C6", "H6", "O4'", "C4'", "H4'", "C5'", "H5'", "H5''", "O5'", "P", "OP1", "OP2", "C3'", "H3'", "O3'", "HO3'"],
+		"link_labels": {"25": "5-prime"}
+	},
+	"C5p": {
+		"smiles": "[H]OC1([H])C([H])(N2C(=O)N=C(N([H])[H])C([H])=C2[H])OC([H])(C([H])([H])OP(=O)([O-])[O-])C1([H])O",
+		"atom_name": ["HO2'", "O2'", "C2'", "H2'", "C1'", "H1'", "N1", "C2", "O2", "N3", "C4", "N4", "H41", "H42", "C5", "H5", "C6", "H6", "O4'", "C4'", "H4'", "C5'", "H5'", "H5''", "O5'", "P", "OP1", "OP3", "OP2", "C3'", "H3'", "O3'"],
+		"link_labels": {"31": "3-prime"}
+	},
+	"G_": {
+		"smiles": "[H]OC1([H])C([H])(N2C([H])=NC3=C2N=C(N([H])[H])N([H])C3=O)OC([H])(C([H])([H])OP(=O)([O-])[O-])C1([H])O[H]",
+		"atom_name": ["HO2'", "O2'", "C2'", "H2'", "C1'", "H1'", "N9", "C8", "H8", "N7", "C5", "C4", "N3", "C2", "N2", "H21", "H22", "N1", "H1", "C6", "O6", "O4'", "C4'", "H4'", "C5'", "H5'", "H5''", "O5'", "P", "OP1", "OP3", "OP2", "C3'", "H3'", "O3'", "HO3'"],
+		"link_labels": {}
+	},
 	"G": {
-	    "smiles": "O=P([O-])OC([H])([H])C([H])(C1([H])O)OC([H])(C1([H])O([H]))N2C([H])=NC3=C2N=C(N([H])[H])N([H])C3=O",
-	    "link_labels": {"1": "5-prime", "11": "3-prime"},
-	    "atom_name": ["OP1", "P", "OP2", "O5'", "C5'", "H5'", "H5''", "C4'", "H4'", "C3'", "H3'", "O3'", "O4'", "C1'", "H1'", "C2'", "H2'", "O2'", "HO2'",
-                          "N9", "C8", "H8", "N7", "C5", "C4", "N3", "C2", "N2", "H21", "H22", "N1", "H1", "C6", "O6"]
+		"smiles": "[H]OC1([H])C([H])(N2C([H])=NC3=C2N=C(N([H])[H])N([H])C3=O)OC([H])(C([H])([H])OP(=O)[O-])C1([H])O",
+		"atom_name": ["HO2'", "O2'", "C2'", "H2'", "C1'", "H1'", "N9", "C8", "H8", "N7", "C5", "C4", "N3", "C2", "N2", "H21", "H22", "N1", "H1", "C6", "O6", "O4'", "C4'", "H4'", "C5'", "H5'", "H5''", "O5'", "P", "OP1", "OP2", "C3'", "H3'", "O3'"],
+		"link_labels": {"28": "5-prime", "33": "3-prime"}
 	},
-	"DG": {
-	    "smiles": "O=P([O-])OC([H])([H])C([H])(C1([H])O)OC([H])(C1([H])[H])N2C([H])=NC3=C2N=C(N([H])[H])N([H])C3=O",
-	    "link_labels": {"1": "5-prime", "11": "3-prime"},
-	    "atom_name": ["OP1", "P", "OP2", "O5'", "C5'", "H5'", "H5''", "C4'", "H4'", "C3'", "H3'", "O3'", "O4'", "C1'", "H1'", "C2'", "H2'", "H2''",
-                          "N9", "C8", "H8", "N7", "C5", "C4", "N3", "C2", "N2", "H21", "H22", "N1", "H1", "C6", "O6"]
+	"G3": {
+		"smiles": "[H]OC1([H])C([H])(N2C([H])=NC3=C2N=C(N([H])[H])N([H])C3=O)OC([H])(C([H])([H])OP(=O)[O-])C1([H])O[H]",
+		"atom_name": ["HO2'", "O2'", "C2'", "H2'", "C1'", "H1'", "N9", "C8", "H8", "N7", "C5", "C4", "N3", "C2", "N2", "H21", "H22", "N1", "H1", "C6", "O6", "O4'", "C4'", "H4'", "C5'", "H5'", "H5''", "O5'", "P", "OP1", "OP2", "C3'", "H3'", "O3'", "HO3'"],
+		"link_labels": {"28": "5-prime"}
 	},
-	"A": {
-	    "smiles": "O=P([O-])OC([H])([H])C([H])(C1([H])O)OC([H])(C1([H])O([H]))N2C([H])=NC3=C2N=C([H])N=C3N([H])[H]",
-	    "link_labels": {"1": "5-prime", "11": "3-prime"},
-	    "atom_name": ["OP1", "P", "OP2", "O5'", "C5'", "H5'", "H5''", "C4'", "H4'", "C3'", "H3'", "O3'", "O4'", "C1'", "H1'", "C2'", "H2'", "O2'", "HO2'",
-                      "N9", "C8", "H8", "N7", "C5", "C4", "N3", "C2", "H2", "N1", "C6", "N6", "H61", "H62"]
+	"G5p": {
+		"smiles": "[H]OC1([H])C([H])(N2C([H])=NC3=C2N=C(N([H])[H])N([H])C3=O)OC([H])(C([H])([H])OP(=O)([O-])[O-])C1([H])O",
+		"atom_name": ["HO2'", "O2'", "C2'", "H2'", "C1'", "H1'", "N9", "C8", "H8", "N7", "C5", "C4", "N3", "C2", "N2", "H21", "H22", "N1", "H1", "C6", "O6", "O4'", "C4'", "H4'", "C5'", "H5'", "H5''", "O5'", "P", "OP1", "OP3", "OP2", "C3'", "H3'", "O3'"],
+		"link_labels": {"34": "3-prime"}
+	},
+	"DA_": {
+		"smiles": "[H]OC1([H])C([H])([H])C([H])(N2C([H])=NC3=C2N=C([H])N=C3N([H])[H])OC1([H])C([H])([H])OP(=O)([O-])[O-]",
+		"atom_name": ["HO3'", "O3'", "C3'", "H3'", "C2'", "H2'", "H2''", "C1'", "H1'", "N9", "C8", "H8", "N7", "C5", "C4", "N3", "C2", "H2", "N1", "C6", "N6", "H61", "H62", "O4'", "C4'", "H4'", "C5'", "H5'", "H5''", "O5'", "P", "OP1", "OP3", "OP2"],
+		"link_labels": {}
 	},
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-	    "smiles": "O=P([O-])OC([H])([H])C([H])(C1([H])O)OC([H])(C1([H])[H])N2C([H])=NC3=C2N=C([H])N=C3N([H])[H]",
-	    "link_labels": {"1": "5-prime", "11": "3-prime"},
-	    "atom_name": ["OP1", "P", "OP2", "O5'", "C5'", "H5'", "H5''", "C4'", "H4'", "C3'", "H3'", "O3'", "O4'", "C1'", "H1'", "C2'", "H2'", "H2''",
-                          "N9", "C8", "H8", "N7", "C5", "C4", "N3", "C2", "H2", "N1", "C6", "N6", "H61", "H62"]
+		"smiles": "[H]C1=NC2=C(N=C([H])N2C2([H])OC([H])(C([H])([H])OP(=O)[O-])C([H])(O)C2([H])[H])C(N([H])[H])=N1",
+		"atom_name": ["H2", "C2", "N3", "C4", "C5", "N7", "C8", "H8", "N9", "C1'", "H1'", "O4'", "C4'", "H4'", "C5'", "H5'", "H5''", "O5'", "P", "OP1", "OP2", "C3'", "H3'", "O3'", "C2'", "H2'", "H2''", "C6", "N6", "H61", "H62", "N1"],
+		"link_labels": {"18": "5-prime", "23": "3-prime"}
 	},
-	"C": {
-	    "smiles": "O=P([O-])OC([H])([H])C([H])(C1([H])O)OC([H])(C1([H])O([H]))N2C([H])=C([H])C(N([H])[H])=NC2=O",
-	    "link_labels": {"1": "5-prime", "11": "3-prime"},
-	    "atom_name": ["OP1", "P", "OP2", "O5'", "C5'", "H5'", "H5''", "C4'", "H4'", "C3'", "H3'", "O3'", "O4'", "C1'", "H1'", "C2'", "H2'", "O2'", "HO2'",
-                     "N1", "C6", "H6", "C5", "H5", "C4", "N4", "H41", "H42", "N3", "C2", "O2"]
+	"DA3": {
+		"smiles": "[H]OC1([H])C([H])([H])C([H])(N2C([H])=NC3=C2N=C([H])N=C3N([H])[H])OC1([H])C([H])([H])OP(=O)[O-]",
+		"atom_name": ["HO3'", "O3'", "C3'", "H3'", "C2'", "H2'", "H2''", "C1'", "H1'", "N9", "C8", "H8", "N7", "C5", "C4", "N3", "C2", "H2", "N1", "C6", "N6", "H61", "H62", "O4'", "C4'", "H4'", "C5'", "H5'", "H5''", "O5'", "P", "OP1", "OP2"],
+		"link_labels": {"30": "5-prime"}
 	},
-	"DC": {
-	    "smiles": "O=P([O-])OC([H])([H])C([H])(C1([H])O)OC([H])(C1([H])[H])N2C([H])=C([H])C(N([H])[H])=NC2=O",
-	    "link_labels": {"1": "5-prime", "11": "3-prime"},
-	    "atom_name": ["OP1", "P", "OP2", "O5'", "C5'", "H5'", "H5''", "C4'", "H4'", "C3'", "H3'", "O3'", "O4'", "C1'", "H1'", "C2'", "H2'", "H2''",
-                      "N1", "C6", "H6", "C5", "H5", "C4", "N4", "H41", "H42", "N3", "C2", "O2"]
+	"DA5p": {
+		"smiles": "[H]C1=NC2=C(N=C([H])N2C2([H])OC([H])(C([H])([H])OP(=O)([O-])[O-])C([H])(O)C2([H])[H])C(N([H])[H])=N1",
+		"atom_name": ["H2", "C2", "N3", "C4", "C5", "N7", "C8", "H8", "N9", "C1'", "H1'", "O4'", "C4'", "H4'", "C5'", "H5'", "H5''", "O5'", "P", "OP1", "OP3", "OP2", "C3'", "H3'", "O3'", "C2'", "H2'", "H2''", "C6", "N6", "H61", "H62", "N1"],
+		"link_labels": {"24": "3-prime"}
 	},
-	"U": {
-	    "smiles": "O=P([O-])OC([H])([H])C([H])(C1([H])O)OC([H])(C1([H])O([H]))N2C([H])=C([H])C(=O)N([H])C2=O",
-	    "link_labels": {"1": "5-prime", "11": "3-prime"},
-	    "atom_name": ["OP1", "P", "OP2", "O5'", "C5'", "H5'", "H5''", "C4'", "H4'", "C3'", "H3'", "O3'", "O4'", "C1'", "H1'", "C2'", "H2'", "O2'", "HO2'",
-                      "N1", "C6", "H6", "C5", "H5", "C4", "O4", "N3", "H3", "C2", "O2"]
+	"DT_": {
+		"smiles": "[H]OC1([H])C([H])([H])C([H])(N2C(=O)N([H])C(=O)C(C([H])([H])[H])=C2[H])OC1([H])C([H])([H])OP(=O)([O-])[O-]",
+		"atom_name": ["HO3'", "O3'", "C3'", "H3'", "C2'", "H2'", "H2''", "C1'", "H1'", "N1", "C2", "O2", "N3", "H3", "C4", "O4", "C5", "C7", "H71", "H72", "H73", "C6", "H6", "O4'", "C4'", "H4'", "C5'", "H5'", "H5''", "O5'", "P", "OP1", "OP3", "OP2"],
+		"link_labels": {}
 	},
 	"DT": {
-	    "smiles": "O=P([O-])OC([H])([H])C([H])(C1([H])O)OC([H])(C1([H])[H])N2C([H])=C(C([H])([H])[H])C(=O)N([H])C2=O",
-	    "link_labels": {"1": "5-prime", "11": "3-prime"},
-	    "atom_name": ["OP1", "P", "OP2", "O5'", "C5'", "H5'", "H5''", "C4'", "H4'", "C3'", "H3'", "O3'", "O4'", "C1'", "H1'", "C2'", "H2'", "H2''",
-                      "N1", "C6", "H6", "C5", "C7", "H71", "H72", "H73", "C4", "O4", "N3", "H3", "C2", "O2"]
+		"smiles": "[H]C1=C(C([H])([H])[H])C(=O)N([H])C(=O)N1C1([H])OC([H])(C([H])([H])OP(=O)[O-])C([H])(O)C1([H])[H]",
+		"atom_name": ["H6", "C6", "C5", "C7", "H71", "H72", "H73", "C4", "O4", "N3", "H3", "C2", "O2", "N1", "C1'", "H1'", "O4'", "C4'", "H4'", "C5'", "H5'", "H5''", "O5'", "P", "OP1", "OP2", "C3'", "H3'", "O3'", "C2'", "H2'", "H2''"],
+		"link_labels": {"23": "5-prime", "28": "3-prime"}
 	},
-
-	"G-5endPO4": {
-	    "smiles": "O=P([O-])(O[H])OC([H])([H])C([H])(C1([H])O)OC([H])(C1([H])O([H]))N2C([H])=NC3=C2N=C(N([H])[H])N([H])C3=O",
-	    "link_labels": {"13": "3-prime"}
-	},
-	"G-3endOH": {
-	    "smiles": "O=P([O-])OC([H])([H])C([H])(C1([H])O[H])OC([H])(C1([H])O([H]))N2C([H])=NC3=C2N=C(N([H])[H])N([H])C3=O",
-	    "link_labels": {"1": "5-prime"}
-	},
-	"G-5endOH": {
-	    "smiles": "O([H])C([H])([H])C([H])(C1([H])O)OC([H])(C1([H])O([H]))N2C([H])=NC3=C2N=C(N([H])[H])N([H])C3=O",
-	    "link_labels": {"9": "3-prime"},
-	    "atom_name": ["O5'", "HO5'", "C5'", "H5'", "H5''", "C4'", "H4'", "C3'", "H3'", "O3'", "O4'", "C1'", "H1'", "C2'", "H2'", "O2'", "HO2'",
-                          "N9", "C8", "H8", "N7", "C5", "C4", "N3", "C2", "N2", "H21", "H22", "N1", "H1", "C6", "O6"]
-	},
-	"A-5endPO4": {
-	    "smiles": "O=P([O-])(O[H])OC([H])([H])C([H])(C1([H])O)OC([H])(C1([H])O([H]))N2C([H])=NC3=C2N=C([H])N=C3N([H])[H]",
-	    "link_labels": {"13": "3-prime"}
-	},
-	"C-5endPO4": {
-	    "smiles": "O=P([O-])(O[H])OC([H])([H])C([H])(C1([H])O)OC([H])(C1([H])O([H]))N2C([H])=C([H])C(N([H])[H])=NC2=O",
-	    "link_labels": {"13": "3-prime"}
-	},
-	"C-5endOH": {
-	    "smiles": "O([H])C([H])([H])C([H])(C1([H])O)OC([H])(C1([H])O([H]))N2C([H])=C([H])C(N([H])[H])=NC2=O",
-	    "link_labels": {"9": "3-prime"},
-	    "atom_name": ["O5'", "HO5'", "C5'", "H5'", "H5''", "C4'", "H4'", "C3'", "H3'", "O3'", "O4'", "C1'", "H1'", "C2'", "H2'", "O2'", "HO2'",
-                     "N1", "C6", "H6", "C5", "H5", "C4", "N4", "H41", "H42", "N3", "C2", "O2"]
-	},
-	"U-5endPO4": {
-	    "smiles": "O=P([O-])(O[H])OC([H])([H])C([H])(C1([H])O)OC([H])(C1([H])O([H]))N2C([H])=C([H])C(=O)N([H])C2=O",
-	    "link_labels": {"13": "3-prime"}
-	},
-    	"ALA": {
+	"DT3": {
+		"smiles": "[H]OC1([H])C([H])([H])C([H])(N2C(=O)N([H])C(=O)C(C([H])([H])[H])=C2[H])OC1([H])C([H])([H])OP(=O)[O-]",
+		"atom_name": ["HO3'", "O3'", "C3'", "H3'", "C2'", "H2'", "H2''", "C1'", "H1'", "N1", "C2", "O2", "N3", "H3", "C4", "O4", "C5", "C7", "H71", "H72", "H73", "C6", "H6", "O4'", "C4'", "H4'", "C5'", "H5'", "H5''", "O5'", "P", "OP1", "OP2"],
+		"link_labels": {"30": "5-prime"}
+	},
+	"DT5p": {
+		"smiles": "[H]C1=C(C([H])([H])[H])C(=O)N([H])C(=O)N1C1([H])OC([H])(C([H])([H])OP(=O)([O-])[O-])C([H])(O)C1([H])[H]",
+		"atom_name": ["H6", "C6", "C5", "C7", "H71", "H72", "H73", "C4", "O4", "N3", "H3", "C2", "O2", "N1", "C1'", "H1'", "O4'", "C4'", "H4'", "C5'", "H5'", "H5''", "O5'", "P", "OP1", "OP3", "OP2", "C3'", "H3'", "O3'", "C2'", "H2'", "H2''"],
+		"link_labels": {"29": "3-prime"}
+	},
+	"DC_": {
+		"smiles": "[H]OC1([H])C([H])([H])C([H])(N2C(=O)N=C(N([H])[H])C([H])=C2[H])OC1([H])C([H])([H])OP(=O)([O-])[O-]",
+		"atom_name": ["HO3'", "O3'", "C3'", "H3'", "C2'", "H2'", "H2''", "C1'", "H1'", "N1", "C2", "O2", "N3", "C4", "N4", "H41", "H42", "C5", "H5", "C6", "H6", "O4'", "C4'", "H4'", "C5'", "H5'", "H5''", "O5'", "P", "OP1", "OP3", "OP2"],
+		"link_labels": {}
+	},
+	"DC": {
+		"smiles": "[H]C1=C([H])N(C2([H])OC([H])(C([H])([H])OP(=O)[O-])C([H])(O)C2([H])[H])C(=O)N=C1N([H])[H]",
+		"atom_name": ["H5", "C5", "C6", "H6", "N1", "C1'", "H1'", "O4'", "C4'", "H4'", "C5'", "H5'", "H5''", "O5'", "P", "OP1", "OP2", "C3'", "H3'", "O3'", "C2'", "H2'", "H2''", "C2", "O2", "N3", "C4", "N4", "H41", "H42"],
+		"link_labels": {"14": "5-prime", "19": "3-prime"}
+	},
+	"DC3": {
+		"smiles": "[H]OC1([H])C([H])([H])C([H])(N2C(=O)N=C(N([H])[H])C([H])=C2[H])OC1([H])C([H])([H])OP(=O)[O-]",
+		"atom_name": ["HO3'", "O3'", "C3'", "H3'", "C2'", "H2'", "H2''", "C1'", "H1'", "N1", "C2", "O2", "N3", "C4", "N4", "H41", "H42", "C5", "H5", "C6", "H6", "O4'", "C4'", "H4'", "C5'", "H5'", "H5''", "O5'", "P", "OP1", "OP2"],
+		"link_labels": {"28": "5-prime"}
+	},
+	"DC5p": {
+		"smiles": "[H]C1=C([H])N(C2([H])OC([H])(C([H])([H])OP(=O)([O-])[O-])C([H])(O)C2([H])[H])C(=O)N=C1N([H])[H]",
+		"atom_name": ["H5", "C5", "C6", "H6", "N1", "C1'", "H1'", "O4'", "C4'", "H4'", "C5'", "H5'", "H5''", "O5'", "P", "OP1", "OP3", "OP2", "C3'", "H3'", "O3'", "C2'", "H2'", "H2''", "C2", "O2", "N3", "C4", "N4", "H41", "H42"],
+		"link_labels": {"20": "3-prime"}
+	},
+	"DG_": {
+		"smiles": "[H]OC1([H])C([H])([H])C([H])(N2C([H])=NC3=C2N=C(N([H])[H])N([H])C3=O)OC1([H])C([H])([H])OP(=O)([O-])[O-]",
+		"atom_name": ["HO3'", "O3'", "C3'", "H3'", "C2'", "H2'", "H2''", "C1'", "H1'", "N9", "C8", "H8", "N7", "C5", "C4", "N3", "C2", "N2", "H21", "H22", "N1", "H1", "C6", "O6", "O4'", "C4'", "H4'", "C5'", "H5'", "H5''", "O5'", "P", "OP1", "OP3", "OP2"],
+		"link_labels": {}
+	},
+	"DG": {
+		"smiles": "[H]C1=NC2=C(N=C(N([H])[H])N([H])C2=O)N1C1([H])OC([H])(C([H])([H])OP(=O)[O-])C([H])(O)C1([H])[H]",
+		"atom_name": ["H8", "C8", "N7", "C5", "C4", "N3", "C2", "N2", "H21", "H22", "N1", "H1", "C6", "O6", "N9", "C1'", "H1'", "O4'", "C4'", "H4'", "C5'", "H5'", "H5''", "O5'", "P", "OP1", "OP2", "C3'", "H3'", "O3'", "C2'", "H2'", "H2''"],
+		"link_labels": {"24": "5-prime", "29": "3-prime"}
+	},
+	"DG3": {
+		"smiles": "[H]OC1([H])C([H])([H])C([H])(N2C([H])=NC3=C2N=C(N([H])[H])N([H])C3=O)OC1([H])C([H])([H])OP(=O)[O-]",
+		"atom_name": ["HO3'", "O3'", "C3'", "H3'", "C2'", "H2'", "H2''", "C1'", "H1'", "N9", "C8", "H8", "N7", "C5", "C4", "N3", "C2", "N2", "H21", "H22", "N1", "H1", "C6", "O6", "O4'", "C4'", "H4'", "C5'", "H5'", "H5''", "O5'", "P", "OP1", "OP2"],
+		"link_labels": {"31": "5-prime"}
+	},
+	"DG5p": {
+		"smiles": "[H]C1=NC2=C(N=C(N([H])[H])N([H])C2=O)N1C1([H])OC([H])(C([H])([H])OP(=O)([O-])[O-])C([H])(O)C1([H])[H]",
+		"atom_name": ["H8", "C8", "N7", "C5", "C4", "N3", "C2", "N2", "H21", "H22", "N1", "H1", "C6", "O6", "N9", "C1'", "H1'", "O4'", "C4'", "H4'", "C5'", "H5'", "H5''", "O5'", "P", "OP1", "OP3", "OP2", "C3'", "H3'", "O3'", "C2'", "H2'", "H2''"],
+		"link_labels": {"30": "3-prime"}
+	},
+	"AN": {
+		"smiles": "[H]OC([H])([H])C1([H])OC([H])(N2C([H])=NC3=C2N=C([H])N=C3N([H])[H])C([H])(O[H])C1([H])O[H]",
+		"atom_name": ["HO5'", "O5'", "C5'", "H5'1", "H5'2", "C4'", "H4'", "O4'", "C1'", "H1'", "N9", "C8", "H8", "N7", "C5", "C4", "N3", "C2", "H2", "N1", "C6", "N6", "HN61", "HN62", "C2'", "H2'", "O2'", "HO2'", "C3'", "H3'", "O3'", "HO3'"],
+		"link_labels": {}
+	},
+	"A5": {
+		"smiles": "[H]OC([H])([H])C1([H])OC([H])(N2C([H])=NC3=C2N=C([H])N=C3N([H])[H])C([H])(O[H])C1([H])O",
+		"atom_name": ["HO5'", "O5'", "C5'", "H5'1", "H5'2", "C4'", "H4'", "O4'", "C1'", "H1'", "N9", "C8", "H8", "N7", "C5", "C4", "N3", "C2", "H2", "N1", "C6", "N6", "HN61", "HN62", "C2'", "H2'", "O2'", "HO2'", "C3'", "H3'", "O3'"],
+		"link_labels": {"30": "3-prime"}
+	},
+	"UN": {
+		"smiles": "[H]OC([H])([H])C1([H])OC([H])(N2C(=O)N([H])C(=O)C([H])=C2[H])C([H])(O[H])C1([H])O[H]",
+		"atom_name": ["HO5'", "O5'", "C5'", "H5'1", "H5'2", "C4'", "H4'", "O4'", "C1'", "H1'", "N1", "C2", "O2", "N3", "H3", "C4", "O4", "C5", "H5", "C6", "H6", "C2'", "H2'", "O2'", "HO2'", "C3'", "H3'", "O3'", "HO3'"],
+		"link_labels": {}
+	},
+	"U5": {
+		"smiles": "[H]OC([H])([H])C1([H])OC([H])(N2C(=O)N([H])C(=O)C([H])=C2[H])C([H])(O[H])C1([H])O",
+		"atom_name": ["HO5'", "O5'", "C5'", "H5'1", "H5'2", "C4'", "H4'", "O4'", "C1'", "H1'", "N1", "C2", "O2", "N3", "H3", "C4", "O4", "C5", "H5", "C6", "H6", "C2'", "H2'", "O2'", "HO2'", "C3'", "H3'", "O3'"],
+		"link_labels": {"27": "3-prime"}
+	},
+	"CN": {
+		"smiles": "[H]OC([H])([H])C1([H])OC([H])(N2C(=O)N=C(N([H])[H])C([H])=C2[H])C([H])(O[H])C1([H])O[H]",
+		"atom_name": ["H5'", "O5'", "C5'", "H5'1", "H5'2", "C4'", "H4'", "O4'", "C1'", "H1'", "N1", "C2", "O2", "N3", "C4", "N4", "HN41", "HN42", "C5", "H5", "C6", "H6", "C2'", "H2'", "O2'", "H1", "C3'", "H3'", "O3'", "H2"],
+		"link_labels": {}
+	},
+	"C5": {
+		"smiles": "[H]OC([H])([H])C1([H])OC([H])(N2C(=O)N=C(N([H])[H])C([H])=C2[H])C([H])(O[H])C1([H])O[H]",
+		"atom_name": ["H5'", "O5'", "C5'", "H5'1", "H5'2", "C4'", "H4'", "O4'", "C1'", "H1'", "N1", "C2", "O2", "N3", "C4", "N4", "HN41", "HN42", "C5", "H5", "C6", "H6", "C2'", "H2'", "O2'", "H1", "C3'", "H3'", "O3'", "H2"],
+		"link_labels": {}
+	},
+	"GN": {
+		"smiles": "[H]OC([H])([H])C1([H])OC([H])(N2C([H])=NC3=C2N=C(N([H])[H])N([H])C3=O)C([H])(O[H])C1([H])O[H]",
+		"atom_name": ["HO5'", "O5'", "C5'", "H5'1", "H5'2", "C4'", "H4'", "O4'", "C1'", "H1'", "N9", "C8", "H8", "N7", "C5", "C4", "N3", "C2", "N2", "HN21", "HN22", "N1", "HN1", "C6", "O6", "C2'", "H2'", "O2'", "HO2'", "C3'", "H3'", "O3'", "HO3'"],
+		"link_labels": {}
+	},
+	"G5": {
+		"smiles": "[H]OC([H])([H])C1([H])OC([H])(N2C([H])=NC3=C2N=C(N([H])[H])N([H])C3=O)C([H])(O[H])C1([H])O",
+		"atom_name": ["HO5'", "O5'", "C5'", "H5'1", "H5'2", "C4'", "H4'", "O4'", "C1'", "H1'", "N9", "C8", "H8", "N7", "C5", "C4", "N3", "C2", "N2", "HN21", "HN22", "N1", "HN1", "C6", "O6", "C2'", "H2'", "O2'", "HO2'", "C3'", "H3'", "O3'"],
+		"link_labels": {"31": "3-prime"}
+	},
+	"DAN": {
+		"smiles": "[H]OC([H])([H])C1([H])OC([H])(N2C([H])=NC3=C(N([H])[H])N=C([H])N=C32)C([H])([H])C1([H])O[H]",
+		"atom_name": ["H5'", "O5'", "C5'", "H5'1", "H5'2", "C4'", "H4'", "O4'", "C1'", "H1'", "N9", "C8", "H8", "N7", "C5", "C6", "N6", "HN61", "HN62", "N1", "C2", "H2", "N3", "C4", "C2'", "H2'1", "H2'2", "C3'", "H3'", "O3'", "H1"],
+		"link_labels": {}
+	},
+	"DA5": {
+		"smiles": "[H]OC([H])([H])C1([H])OC([H])(N2C([H])=NC3=C(N([H])[H])N=C([H])N=C32)C([H])([H])C1([H])O[H]",
+		"atom_name": ["H5'", "O5'", "C5'", "H5'1", "H5'2", "C4'", "H4'", "O4'", "C1'", "H1'", "N9", "C8", "H8", "N7", "C5", "C6", "N6", "HN61", "HN62", "N1", "C2", "H2", "N3", "C4", "C2'", "H2'1", "H2'2", "C3'", "H3'", "O3'", "H1"],
+		"link_labels": {}
+	},
+	"DTN": {
+		"smiles": "[H]OC([H])([H])C1([H])OC([H])(N2C(=O)N([H])C(=O)C(C([H])([H])[H])=C2[H])C([H])([H])C1([H])O[H]",
+		"atom_name": ["HO5'", "O5'", "C5'", "H5'1", "H5'2", "C4'", "H4'", "O4'", "C1'", "H1'", "N1", "C2", "O2", "N3", "HN3", "C4", "O4", "C5", "C5M", "HM51", "HM52", "HM53", "C6", "H6", "C2'", "H2'1", "H2'2", "C3'", "H3'", "O3'", "HO3'"],
+		"link_labels": {}
+	},
+	"DT5": {
+		"smiles": "[H]OC([H])([H])C1([H])OC([H])(N2C(=O)N([H])C(=O)C(C([H])([H])[H])=C2[H])C([H])([H])C1([H])O",
+		"atom_name": ["HO5'", "O5'", "C5'", "H5'1", "H5'2", "C4'", "H4'", "O4'", "C1'", "H1'", "N1", "C2", "O2", "N3", "HN3", "C4", "O4", "C5", "C5M", "HM51", "HM52", "HM53", "C6", "H6", "C2'", "H2'1", "H2'2", "C3'", "H3'", "O3'"],
+		"link_labels": {"29": "3-prime"}
+	},
+	"DCN": {
+		"smiles": "[H]OC([H])([H])C1([H])OC([H])(N2C(=O)N=C(N([H])[H])C([H])=C2[H])C([H])([H])C1([H])O[H]",
+		"atom_name": ["HO51", "O5'", "C5'", "H5'1", "H5'2", "C4'", "H4'", "O4'", "C1'", "H1'", "N1", "C2", "O2", "N3", "C4", "N4", "HN41", "HN42", "C5", "H5", "C6", "H6", "C2'", "H2'1", "H2'2", "C3'", "H3'", "O3'", "HO3'"],
+		"link_labels": {}
+	},
+	"DC5": {
+		"smiles": "[H]OC([H])([H])C1([H])OC([H])(N2C(=O)N=C(N([H])[H])C([H])=C2[H])C([H])([H])C1([H])O",
+		"atom_name": ["HO51", "O5'", "C5'", "H5'1", "H5'2", "C4'", "H4'", "O4'", "C1'", "H1'", "N1", "C2", "O2", "N3", "C4", "N4", "HN41", "HN42", "C5", "H5", "C6", "H6", "C2'", "H2'1", "H2'2", "C3'", "H3'", "O3'"],
+		"link_labels": {"27": "3-prime"}
+	},
+	"DGN": {
+		"smiles": "[H]OC([H])([H])C1([H])OC([H])(N2C([H])=NC3=C2N([H])C(N([H])[H])=NC3=O)C([H])([H])C1([H])O[H]",
+		"atom_name": ["H5'", "O5'", "C5'", "H5'1", "H5'2", "C4'", "H4'", "O4'", "C1'", "H1'", "N9", "C8", "H8", "N7", "C5", "C4", "N3", "HN3", "C2", "N2", "HN21", "HN22", "N1", "C6", "O6", "C2'", "H2'1", "H2'2", "C3'", "H3'", "O3'", "H1"],
+		"link_labels": {}
+	},
+	"DG5": {
+		"smiles": "[H]OC([H])([H])C1([H])OC([H])(N2C([H])=NC3=C2N([H])C(N([H])[H])=NC3=O)C([H])([H])C1([H])O[H]",
+		"atom_name": ["H5'", "O5'", "C5'", "H5'1", "H5'2", "C4'", "H4'", "O4'", "C1'", "H1'", "N9", "C8", "H8", "N7", "C5", "C4", "N3", "HN3", "C2", "N2", "HN21", "HN22", "N1", "C6", "O6", "C2'", "H2'1", "H2'2", "C3'", "H3'", "O3'", "H1"],
+		"link_labels": {}
+	},
+		"ALA": {
     	    "smiles": "C(=O)C([H])(N[H])C([H])([H])[H]",
     	    "atom_name": ["C", "O", "CA", "HA", "N", "H", "CB", "HB1", "HB2", "HB3"],
     	    "link_labels": {"0": "C-term", "4": "N-term"}

From 959268cffe1b19b7e197f1644b95b0d22ac71e1e Mon Sep 17 00:00:00 2001
From: Amy He <ayhe1768@gmail.com>
Date: Fri, 27 Sep 2024 15:21:20 -0700
Subject: [PATCH 012/166] handle nucleotide exceptions by a hardcoded dict

---
 meeko/data/residue_chem_templates.json | 18 +++++++++---------
 1 file changed, 9 insertions(+), 9 deletions(-)

diff --git a/meeko/data/residue_chem_templates.json b/meeko/data/residue_chem_templates.json
index cfaf3665..e95c58a3 100644
--- a/meeko/data/residue_chem_templates.json
+++ b/meeko/data/residue_chem_templates.json
@@ -274,9 +274,9 @@
 		"link_labels": {}
 	},
 	"C5": {
-		"smiles": "[H]OC([H])([H])C1([H])OC([H])(N2C(=O)N=C(N([H])[H])C([H])=C2[H])C([H])(O[H])C1([H])O[H]",
-		"atom_name": ["H5'", "O5'", "C5'", "H5'1", "H5'2", "C4'", "H4'", "O4'", "C1'", "H1'", "N1", "C2", "O2", "N3", "C4", "N4", "HN41", "HN42", "C5", "H5", "C6", "H6", "C2'", "H2'", "O2'", "H1", "C3'", "H3'", "O3'", "H2"],
-		"link_labels": {}
+		"smiles": "[H]OC([H])([H])C1([H])OC([H])(N2C(=O)N=C(N([H])[H])C([H])=C2[H])C([H])(O[H])C1([H])O",
+		"atom_name": ["H5'", "O5'", "C5'", "H5'1", "H5'2", "C4'", "H4'", "O4'", "C1'", "H1'", "N1", "C2", "O2", "N3", "C4", "N4", "HN41", "HN42", "C5", "H5", "C6", "H6", "C2'", "H2'", "O2'", "H1", "C3'", "H3'", "O3'"],
+		"link_labels": {"28": "3-prime"}
 	},
 	"GN": {
 		"smiles": "[H]OC([H])([H])C1([H])OC([H])(N2C([H])=NC3=C2N=C(N([H])[H])N([H])C3=O)C([H])(O[H])C1([H])O[H]",
@@ -294,9 +294,9 @@
 		"link_labels": {}
 	},
 	"DA5": {
-		"smiles": "[H]OC([H])([H])C1([H])OC([H])(N2C([H])=NC3=C(N([H])[H])N=C([H])N=C32)C([H])([H])C1([H])O[H]",
-		"atom_name": ["H5'", "O5'", "C5'", "H5'1", "H5'2", "C4'", "H4'", "O4'", "C1'", "H1'", "N9", "C8", "H8", "N7", "C5", "C6", "N6", "HN61", "HN62", "N1", "C2", "H2", "N3", "C4", "C2'", "H2'1", "H2'2", "C3'", "H3'", "O3'", "H1"],
-		"link_labels": {}
+		"smiles": "[H]OC([H])([H])C1([H])OC([H])(N2C([H])=NC3=C(N([H])[H])N=C([H])N=C32)C([H])([H])C1([H])O",
+		"atom_name": ["H5'", "O5'", "C5'", "H5'1", "H5'2", "C4'", "H4'", "O4'", "C1'", "H1'", "N9", "C8", "H8", "N7", "C5", "C6", "N6", "HN61", "HN62", "N1", "C2", "H2", "N3", "C4", "C2'", "H2'1", "H2'2", "C3'", "H3'", "O3'"],
+		"link_labels": {"29": "3-prime"}
 	},
 	"DTN": {
 		"smiles": "[H]OC([H])([H])C1([H])OC([H])(N2C(=O)N([H])C(=O)C(C([H])([H])[H])=C2[H])C([H])([H])C1([H])O[H]",
@@ -324,9 +324,9 @@
 		"link_labels": {}
 	},
 	"DG5": {
-		"smiles": "[H]OC([H])([H])C1([H])OC([H])(N2C([H])=NC3=C2N([H])C(N([H])[H])=NC3=O)C([H])([H])C1([H])O[H]",
-		"atom_name": ["H5'", "O5'", "C5'", "H5'1", "H5'2", "C4'", "H4'", "O4'", "C1'", "H1'", "N9", "C8", "H8", "N7", "C5", "C4", "N3", "HN3", "C2", "N2", "HN21", "HN22", "N1", "C6", "O6", "C2'", "H2'1", "H2'2", "C3'", "H3'", "O3'", "H1"],
-		"link_labels": {}
+		"smiles": "[H]OC([H])([H])C1([H])OC([H])(N2C([H])=NC3=C2N([H])C(N([H])[H])=NC3=O)C([H])([H])C1([H])O",
+		"atom_name": ["H5'", "O5'", "C5'", "H5'1", "H5'2", "C4'", "H4'", "O4'", "C1'", "H1'", "N9", "C8", "H8", "N7", "C5", "C4", "N3", "HN3", "C2", "N2", "HN21", "HN22", "N1", "C6", "O6", "C2'", "H2'1", "H2'2", "C3'", "H3'", "O3'"],
+		"link_labels": {"30": "3-prime"}
 	},
 		"ALA": {
     	    "smiles": "C(=O)C([H])(N[H])C([H])([H])[H]",

From 52f0c0b7c943af317f82745dacc06f86c7cbeaf4 Mon Sep 17 00:00:00 2001
From: Amy He <ayhe1768@gmail.com>
Date: Fri, 27 Sep 2024 17:04:01 -0700
Subject: [PATCH 013/166] modified chem templates for nucleosides and DG

---
 meeko/data/residue_chem_templates.json | 8 ++++----
 1 file changed, 4 insertions(+), 4 deletions(-)

diff --git a/meeko/data/residue_chem_templates.json b/meeko/data/residue_chem_templates.json
index e95c58a3..294f8f33 100644
--- a/meeko/data/residue_chem_templates.json
+++ b/meeko/data/residue_chem_templates.json
@@ -319,13 +319,13 @@
 		"link_labels": {"27": "3-prime"}
 	},
 	"DGN": {
-		"smiles": "[H]OC([H])([H])C1([H])OC([H])(N2C([H])=NC3=C2N([H])C(N([H])[H])=NC3=O)C([H])([H])C1([H])O[H]",
-		"atom_name": ["H5'", "O5'", "C5'", "H5'1", "H5'2", "C4'", "H4'", "O4'", "C1'", "H1'", "N9", "C8", "H8", "N7", "C5", "C4", "N3", "HN3", "C2", "N2", "HN21", "HN22", "N1", "C6", "O6", "C2'", "H2'1", "H2'2", "C3'", "H3'", "O3'", "H1"],
+		"smiles": "[H]OC([H])([H])C1([H])OC([H])(N2C([H])=NC3=C2N=C(N([H])[H])N([H])C3=O)C([H])([H])C1([H])O[H]",
+		"atom_name": ["HO5'", "O5'", "C5'", "H5'2", "H5'1", "C4'", "H4'", "O4'", "C1'", "H1'", "N9", "C8", "H8", "N7", "C5", "C4", "N3", "C2", "N2", "HN22", "HN21", "N1", "HN1", "C6", "O6", "C2'", "H2'2", "H2'1", "C3'", "H3'", "O3'", "H1"],
 		"link_labels": {}
 	},
 	"DG5": {
-		"smiles": "[H]OC([H])([H])C1([H])OC([H])(N2C([H])=NC3=C2N([H])C(N([H])[H])=NC3=O)C([H])([H])C1([H])O",
-		"atom_name": ["H5'", "O5'", "C5'", "H5'1", "H5'2", "C4'", "H4'", "O4'", "C1'", "H1'", "N9", "C8", "H8", "N7", "C5", "C4", "N3", "HN3", "C2", "N2", "HN21", "HN22", "N1", "C6", "O6", "C2'", "H2'1", "H2'2", "C3'", "H3'", "O3'"],
+		"smiles": "[H]OC([H])([H])C1([H])OC([H])(N2C([H])=NC3=C2N=C(N([H])[H])N([H])C3=O)C([H])([H])C1([H])O",
+		"atom_name": ["HO5'", "O5'", "C5'", "H5'2", "H5'1", "C4'", "H4'", "O4'", "C1'", "H1'", "N9", "C8", "H8", "N7", "C5", "C4", "N3", "C2", "N2", "HN22", "HN21", "N1", "HN1", "C6", "O6", "C2'", "H2'2", "H2'1", "C3'", "H3'", "O3'"],
 		"link_labels": {"30": "3-prime"}
 	},
 		"ALA": {

From 996259670501fbf52736a78c207d173ef1a4148a Mon Sep 17 00:00:00 2001
From: Amy He <ayhe1768@gmail.com>
Date: Fri, 27 Sep 2024 17:09:01 -0700
Subject: [PATCH 014/166] bump actions/upload-artifact@v2 to v4

---
 .github/workflows/pypi-build.yml | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/.github/workflows/pypi-build.yml b/.github/workflows/pypi-build.yml
index 9e21b2c9..f31a770b 100644
--- a/.github/workflows/pypi-build.yml
+++ b/.github/workflows/pypi-build.yml
@@ -30,7 +30,7 @@ jobs:
       run: |
         python setup.py sdist bdist_wheel
     - name: Upload artifacts for inspection
-      uses: actions/upload-artifact@v2
+      uses: actions/upload-artifact@v4
       with:
         name: dist
         path: dist/*

From ea19c13a07dc7644026efa8b2191284f798991f6 Mon Sep 17 00:00:00 2001
From: Amy He <ayhe1768@gmail.com>
Date: Fri, 27 Sep 2024 23:04:47 -0700
Subject: [PATCH 015/166] raise RuntimeError when MolFromPDBBlock failed to
 return a mol

---
 meeko/linked_rdkit_chorizo.py | 4 ++++
 1 file changed, 4 insertions(+)

diff --git a/meeko/linked_rdkit_chorizo.py b/meeko/linked_rdkit_chorizo.py
index a124d249..039145bd 100644
--- a/meeko/linked_rdkit_chorizo.py
+++ b/meeko/linked_rdkit_chorizo.py
@@ -1463,6 +1463,10 @@ def _add_if_new(to_dict, key, value, repeat_log):
             pdbmol = Chem.MolFromPDBBlock(
                 pdb_block, removeHs=False
             )  # TODO RDKit ignores AltLoc ?
+
+            if not pdbmol:
+                raise RuntimeError(f"An error occurred while trying to build pdb mol for {reskey} {resname}")
+
             resname = list(reskey_to_resname[reskey])[
                 0
             ]  # already verified length of set is 1

From 47652c0499dce1030ef928616f5e4d0262e3ccc3 Mon Sep 17 00:00:00 2001
From: Amy He <ayhe1768@gmail.com>
Date: Fri, 27 Sep 2024 23:37:15 -0700
Subject: [PATCH 016/166] use nucleotide as templates for nucleosides

---
 meeko/data/residue_chem_templates.json | 144 ++++++++++++-------------
 1 file changed, 72 insertions(+), 72 deletions(-)

diff --git a/meeko/data/residue_chem_templates.json b/meeko/data/residue_chem_templates.json
index 294f8f33..6c0ceb46 100644
--- a/meeko/data/residue_chem_templates.json
+++ b/meeko/data/residue_chem_templates.json
@@ -108,6 +108,16 @@
 		"atom_name": ["HO2'", "O2'", "C2'", "H2'", "C1'", "H1'", "N9", "C8", "H8", "N7", "C5", "C4", "N3", "C2", "H2", "N1", "C6", "N6", "H61", "H62", "O4'", "C4'", "H4'", "C5'", "H5'", "H5''", "O5'", "P", "OP1", "OP3", "OP2", "C3'", "H3'", "O3'"],
 		"link_labels": {"33": "3-prime"}
 	},
+	"AN": {
+		"smiles": "[H]OC([H])([H])C1([H])OC([H])(N2C([H])=NC3=C2N=C([H])N=C3N([H])[H])C([H])(O[H])C1([H])O[H]",
+		"atom_name": ["HO5'", "O5'", "C5'", "H5'", "H5''", "C4'", "H4'", "O4'", "C1'", "H1'", "N9", "C8", "H8", "N7", "C5", "C4", "N3", "C2", "H2", "N1", "C6", "N6", "H61", "H62", "C2'", "H2'", "O2'", "HO2'", "C3'", "H3'", "O3'", "HO3'"],
+		"link_labels": {}
+	},
+	"A5": {
+		"smiles": "[H]OC([H])([H])C1([H])OC([H])(N2C([H])=NC3=C2N=C([H])N=C3N([H])[H])C([H])(O[H])C1([H])O",
+		"atom_name": ["HO5'", "O5'", "C5'", "H5'", "H5''", "C4'", "H4'", "O4'", "C1'", "H1'", "N9", "C8", "H8", "N7", "C5", "C4", "N3", "C2", "H2", "N1", "C6", "N6", "H61", "H62", "C2'", "H2'", "O2'", "HO2'", "C3'", "H3'", "O3'"],
+		"link_labels": {"30": "3-prime"}
+	},
 	"U_": {
 		"smiles": "[H]OC1([H])C([H])(N2C(=O)N([H])C(=O)C([H])=C2[H])OC([H])(C([H])([H])OP(=O)([O-])[O-])C1([H])O[H]",
 		"atom_name": ["HO2'", "O2'", "C2'", "H2'", "C1'", "H1'", "N1", "C2", "O2", "N3", "H3", "C4", "O4", "C5", "H5", "C6", "H6", "O4'", "C4'", "H4'", "C5'", "H5'", "H5''", "O5'", "P", "OP1", "OP3", "OP2", "C3'", "H3'", "O3'", "HO3'"],
@@ -128,6 +138,16 @@
 		"atom_name": ["HO2'", "O2'", "C2'", "H2'", "C1'", "H1'", "N1", "C2", "O2", "N3", "H3", "C4", "O4", "C5", "H5", "C6", "H6", "O4'", "C4'", "H4'", "C5'", "H5'", "H5''", "O5'", "P", "OP1", "OP3", "OP2", "C3'", "H3'", "O3'"],
 		"link_labels": {"30": "3-prime"}
 	},
+	"UN": {
+		"smiles": "[H]OC([H])([H])C1([H])OC([H])(N2C(=O)N([H])C(=O)C([H])=C2[H])C([H])(O[H])C1([H])O[H]",
+		"atom_name": ["HO5'", "O5'", "C5'", "H5'", "H5''", "C4'", "H4'", "O4'", "C1'", "H1'", "N1", "C2", "O2", "N3", "H3", "C4", "O4", "C5", "H5", "C6", "H6", "C2'", "H2'", "O2'", "HO2'", "C3'", "H3'", "O3'", "HO3'"],
+		"link_labels": {}
+	},
+	"U5": {
+		"smiles": "[H]OC([H])([H])C1([H])OC([H])(N2C(=O)N([H])C(=O)C([H])=C2[H])C([H])(O[H])C1([H])O",
+		"atom_name": ["HO5'", "O5'", "C5'", "H5'", "H5''", "C4'", "H4'", "O4'", "C1'", "H1'", "N1", "C2", "O2", "N3", "H3", "C4", "O4", "C5", "H5", "C6", "H6", "C2'", "H2'", "O2'", "HO2'", "C3'", "H3'", "O3'"],
+		"link_labels": {"27": "3-prime"}
+	},
 	"C_": {
 		"smiles": "[H]OC1([H])C([H])(N2C(=O)N=C(N([H])[H])C([H])=C2[H])OC([H])(C([H])([H])OP(=O)([O-])[O-])C1([H])O[H]",
 		"atom_name": ["HO2'", "O2'", "C2'", "H2'", "C1'", "H1'", "N1", "C2", "O2", "N3", "C4", "N4", "H41", "H42", "C5", "H5", "C6", "H6", "O4'", "C4'", "H4'", "C5'", "H5'", "H5''", "O5'", "P", "OP1", "OP3", "OP2", "C3'", "H3'", "O3'", "HO3'"],
@@ -148,6 +168,16 @@
 		"atom_name": ["HO2'", "O2'", "C2'", "H2'", "C1'", "H1'", "N1", "C2", "O2", "N3", "C4", "N4", "H41", "H42", "C5", "H5", "C6", "H6", "O4'", "C4'", "H4'", "C5'", "H5'", "H5''", "O5'", "P", "OP1", "OP3", "OP2", "C3'", "H3'", "O3'"],
 		"link_labels": {"31": "3-prime"}
 	},
+	"CN": {
+		"smiles": "[H]OC([H])([H])C1([H])OC([H])(N2C(=O)N=C(N([H])[H])C([H])=C2[H])C([H])(O[H])C1([H])O[H]",
+		"atom_name": ["HO5'", "O5'", "C5'", "H5'", "H5''", "C4'", "H4'", "O4'", "C1'", "H1'", "N1", "C2", "O2", "N3", "C4", "N4", "H41", "H42", "C5", "H5", "C6", "H6", "C2'", "H2'", "O2'", "HO2'", "C3'", "H3'", "O3'", "HO3'"],
+		"link_labels": {}
+	},
+	"C5": {
+		"smiles": "[H]OC([H])([H])C1([H])OC([H])(N2C(=O)N=C(N([H])[H])C([H])=C2[H])C([H])(O[H])C1([H])O",
+		"atom_name": ["HO5'", "O5'", "C5'", "H5'", "H5''", "C4'", "H4'", "O4'", "C1'", "H1'", "N1", "C2", "O2", "N3", "C4", "N4", "H41", "H42", "C5", "H5", "C6", "H6", "C2'", "H2'", "O2'", "HO2'", "C3'", "H3'", "O3'"],
+		"link_labels": {"28": "3-prime"}
+	},
 	"G_": {
 		"smiles": "[H]OC1([H])C([H])(N2C([H])=NC3=C2N=C(N([H])[H])N([H])C3=O)OC([H])(C([H])([H])OP(=O)([O-])[O-])C1([H])O[H]",
 		"atom_name": ["HO2'", "O2'", "C2'", "H2'", "C1'", "H1'", "N9", "C8", "H8", "N7", "C5", "C4", "N3", "C2", "N2", "H21", "H22", "N1", "H1", "C6", "O6", "O4'", "C4'", "H4'", "C5'", "H5'", "H5''", "O5'", "P", "OP1", "OP3", "OP2", "C3'", "H3'", "O3'", "HO3'"],
@@ -168,6 +198,16 @@
 		"atom_name": ["HO2'", "O2'", "C2'", "H2'", "C1'", "H1'", "N9", "C8", "H8", "N7", "C5", "C4", "N3", "C2", "N2", "H21", "H22", "N1", "H1", "C6", "O6", "O4'", "C4'", "H4'", "C5'", "H5'", "H5''", "O5'", "P", "OP1", "OP3", "OP2", "C3'", "H3'", "O3'"],
 		"link_labels": {"34": "3-prime"}
 	},
+	"GN": {
+		"smiles": "[H]OC([H])([H])C1([H])OC([H])(N2C([H])=NC3=C2N=C(N([H])[H])N([H])C3=O)C([H])(O[H])C1([H])O[H]",
+		"atom_name": ["HO5'", "O5'", "C5'", "H5'", "H5''", "C4'", "H4'", "O4'", "C1'", "H1'", "N9", "C8", "H8", "N7", "C5", "C4", "N3", "C2", "N2", "H21", "H22", "N1", "H1", "C6", "O6", "C2'", "H2'", "O2'", "HO2'", "C3'", "H3'", "O3'", "HO3'"],
+		"link_labels": {}
+	},
+	"G5": {
+		"smiles": "[H]OC([H])([H])C1([H])OC([H])(N2C([H])=NC3=C2N=C(N([H])[H])N([H])C3=O)C([H])(O[H])C1([H])O",
+		"atom_name": ["HO5'", "O5'", "C5'", "H5'", "H5''", "C4'", "H4'", "O4'", "C1'", "H1'", "N9", "C8", "H8", "N7", "C5", "C4", "N3", "C2", "N2", "H21", "H22", "N1", "H1", "C6", "O6", "C2'", "H2'", "O2'", "HO2'", "C3'", "H3'", "O3'"],
+		"link_labels": {"31": "3-prime"}
+	},
 	"DA_": {
 		"smiles": "[H]OC1([H])C([H])([H])C([H])(N2C([H])=NC3=C2N=C([H])N=C3N([H])[H])OC1([H])C([H])([H])OP(=O)([O-])[O-]",
 		"atom_name": ["HO3'", "O3'", "C3'", "H3'", "C2'", "H2'", "H2''", "C1'", "H1'", "N9", "C8", "H8", "N7", "C5", "C4", "N3", "C2", "H2", "N1", "C6", "N6", "H61", "H62", "O4'", "C4'", "H4'", "C5'", "H5'", "H5''", "O5'", "P", "OP1", "OP3", "OP2"],
@@ -188,6 +228,16 @@
 		"atom_name": ["H2", "C2", "N3", "C4", "C5", "N7", "C8", "H8", "N9", "C1'", "H1'", "O4'", "C4'", "H4'", "C5'", "H5'", "H5''", "O5'", "P", "OP1", "OP3", "OP2", "C3'", "H3'", "O3'", "C2'", "H2'", "H2''", "C6", "N6", "H61", "H62", "N1"],
 		"link_labels": {"24": "3-prime"}
 	},
+	"DAN": {
+		"smiles": "[H]OC([H])([H])C1([H])OC([H])(N2C([H])=NC3=C2N=C([H])N=C3N([H])[H])C([H])([H])C1([H])O[H]",
+		"atom_name": ["HO5'", "O5'", "C5'", "H5'", "H5''", "C4'", "H4'", "O4'", "C1'", "H1'", "N9", "C8", "H8", "N7", "C5", "C4", "N3", "C2", "H2", "N1", "C6", "N6", "H61", "H62", "C2'", "H2'", "H2''", "C3'", "H3'", "O3'", "HO3'"],
+		"link_labels": {}
+	},
+	"DA5": {
+		"smiles": "[H]OC([H])([H])C1([H])OC([H])(N2C([H])=NC3=C2N=C([H])N=C3N([H])[H])C([H])([H])C1([H])O",
+		"atom_name": ["HO5'", "O5'", "C5'", "H5'", "H5''", "C4'", "H4'", "O4'", "C1'", "H1'", "N9", "C8", "H8", "N7", "C5", "C4", "N3", "C2", "H2", "N1", "C6", "N6", "H61", "H62", "C2'", "H2'", "H2''", "C3'", "H3'", "O3'"],
+		"link_labels": {"29": "3-prime"}
+	},
 	"DT_": {
 		"smiles": "[H]OC1([H])C([H])([H])C([H])(N2C(=O)N([H])C(=O)C(C([H])([H])[H])=C2[H])OC1([H])C([H])([H])OP(=O)([O-])[O-]",
 		"atom_name": ["HO3'", "O3'", "C3'", "H3'", "C2'", "H2'", "H2''", "C1'", "H1'", "N1", "C2", "O2", "N3", "H3", "C4", "O4", "C5", "C7", "H71", "H72", "H73", "C6", "H6", "O4'", "C4'", "H4'", "C5'", "H5'", "H5''", "O5'", "P", "OP1", "OP3", "OP2"],
@@ -208,6 +258,16 @@
 		"atom_name": ["H6", "C6", "C5", "C7", "H71", "H72", "H73", "C4", "O4", "N3", "H3", "C2", "O2", "N1", "C1'", "H1'", "O4'", "C4'", "H4'", "C5'", "H5'", "H5''", "O5'", "P", "OP1", "OP3", "OP2", "C3'", "H3'", "O3'", "C2'", "H2'", "H2''"],
 		"link_labels": {"29": "3-prime"}
 	},
+	"DTN": {
+		"smiles": "[H]OC([H])([H])C1([H])OC([H])(N2C(=O)N([H])C(=O)C(C([H])([H])[H])=C2[H])C([H])([H])C1([H])O[H]",
+		"atom_name": ["HO5'", "O5'", "C5'", "H5'", "H5''", "C4'", "H4'", "O4'", "C1'", "H1'", "N1", "C2", "O2", "N3", "H3", "C4", "O4", "C5", "C7", "H71", "H72", "H73", "C6", "H6", "C2'", "H2'", "H2''", "C3'", "H3'", "O3'", "HO3'"],
+		"link_labels": {}
+	},
+	"DT5": {
+		"smiles": "[H]OC([H])([H])C1([H])OC([H])(N2C(=O)N([H])C(=O)C(C([H])([H])[H])=C2[H])C([H])([H])C1([H])O",
+		"atom_name": ["HO5'", "O5'", "C5'", "H5'", "H5''", "C4'", "H4'", "O4'", "C1'", "H1'", "N1", "C2", "O2", "N3", "H3", "C4", "O4", "C5", "C7", "H71", "H72", "H73", "C6", "H6", "C2'", "H2'", "H2''", "C3'", "H3'", "O3'"],
+		"link_labels": {"29": "3-prime"}
+	},
 	"DC_": {
 		"smiles": "[H]OC1([H])C([H])([H])C([H])(N2C(=O)N=C(N([H])[H])C([H])=C2[H])OC1([H])C([H])([H])OP(=O)([O-])[O-]",
 		"atom_name": ["HO3'", "O3'", "C3'", "H3'", "C2'", "H2'", "H2''", "C1'", "H1'", "N1", "C2", "O2", "N3", "C4", "N4", "H41", "H42", "C5", "H5", "C6", "H6", "O4'", "C4'", "H4'", "C5'", "H5'", "H5''", "O5'", "P", "OP1", "OP3", "OP2"],
@@ -228,6 +288,16 @@
 		"atom_name": ["H5", "C5", "C6", "H6", "N1", "C1'", "H1'", "O4'", "C4'", "H4'", "C5'", "H5'", "H5''", "O5'", "P", "OP1", "OP3", "OP2", "C3'", "H3'", "O3'", "C2'", "H2'", "H2''", "C2", "O2", "N3", "C4", "N4", "H41", "H42"],
 		"link_labels": {"20": "3-prime"}
 	},
+	"DCN": {
+		"smiles": "[H]OC([H])([H])C1([H])OC([H])(N2C(=O)N=C(N([H])[H])C([H])=C2[H])C([H])([H])C1([H])O[H]",
+		"atom_name": ["HO5'", "O5'", "C5'", "H5'", "H5''", "C4'", "H4'", "O4'", "C1'", "H1'", "N1", "C2", "O2", "N3", "C4", "N4", "H41", "H42", "C5", "H5", "C6", "H6", "C2'", "H2'", "H2''", "C3'", "H3'", "O3'", "HO3'"],
+		"link_labels": {}
+	},
+	"DC5": {
+		"smiles": "[H]OC([H])([H])C1([H])OC([H])(N2C(=O)N=C(N([H])[H])C([H])=C2[H])C([H])([H])C1([H])O",
+		"atom_name": ["HO5'", "O5'", "C5'", "H5'", "H5''", "C4'", "H4'", "O4'", "C1'", "H1'", "N1", "C2", "O2", "N3", "C4", "N4", "H41", "H42", "C5", "H5", "C6", "H6", "C2'", "H2'", "H2''", "C3'", "H3'", "O3'"],
+		"link_labels": {"27": "3-prime"}
+	},
 	"DG_": {
 		"smiles": "[H]OC1([H])C([H])([H])C([H])(N2C([H])=NC3=C2N=C(N([H])[H])N([H])C3=O)OC1([H])C([H])([H])OP(=O)([O-])[O-]",
 		"atom_name": ["HO3'", "O3'", "C3'", "H3'", "C2'", "H2'", "H2''", "C1'", "H1'", "N9", "C8", "H8", "N7", "C5", "C4", "N3", "C2", "N2", "H21", "H22", "N1", "H1", "C6", "O6", "O4'", "C4'", "H4'", "C5'", "H5'", "H5''", "O5'", "P", "OP1", "OP3", "OP2"],
@@ -248,84 +318,14 @@
 		"atom_name": ["H8", "C8", "N7", "C5", "C4", "N3", "C2", "N2", "H21", "H22", "N1", "H1", "C6", "O6", "N9", "C1'", "H1'", "O4'", "C4'", "H4'", "C5'", "H5'", "H5''", "O5'", "P", "OP1", "OP3", "OP2", "C3'", "H3'", "O3'", "C2'", "H2'", "H2''"],
 		"link_labels": {"30": "3-prime"}
 	},
-	"AN": {
-		"smiles": "[H]OC([H])([H])C1([H])OC([H])(N2C([H])=NC3=C2N=C([H])N=C3N([H])[H])C([H])(O[H])C1([H])O[H]",
-		"atom_name": ["HO5'", "O5'", "C5'", "H5'1", "H5'2", "C4'", "H4'", "O4'", "C1'", "H1'", "N9", "C8", "H8", "N7", "C5", "C4", "N3", "C2", "H2", "N1", "C6", "N6", "HN61", "HN62", "C2'", "H2'", "O2'", "HO2'", "C3'", "H3'", "O3'", "HO3'"],
-		"link_labels": {}
-	},
-	"A5": {
-		"smiles": "[H]OC([H])([H])C1([H])OC([H])(N2C([H])=NC3=C2N=C([H])N=C3N([H])[H])C([H])(O[H])C1([H])O",
-		"atom_name": ["HO5'", "O5'", "C5'", "H5'1", "H5'2", "C4'", "H4'", "O4'", "C1'", "H1'", "N9", "C8", "H8", "N7", "C5", "C4", "N3", "C2", "H2", "N1", "C6", "N6", "HN61", "HN62", "C2'", "H2'", "O2'", "HO2'", "C3'", "H3'", "O3'"],
-		"link_labels": {"30": "3-prime"}
-	},
-	"UN": {
-		"smiles": "[H]OC([H])([H])C1([H])OC([H])(N2C(=O)N([H])C(=O)C([H])=C2[H])C([H])(O[H])C1([H])O[H]",
-		"atom_name": ["HO5'", "O5'", "C5'", "H5'1", "H5'2", "C4'", "H4'", "O4'", "C1'", "H1'", "N1", "C2", "O2", "N3", "H3", "C4", "O4", "C5", "H5", "C6", "H6", "C2'", "H2'", "O2'", "HO2'", "C3'", "H3'", "O3'", "HO3'"],
-		"link_labels": {}
-	},
-	"U5": {
-		"smiles": "[H]OC([H])([H])C1([H])OC([H])(N2C(=O)N([H])C(=O)C([H])=C2[H])C([H])(O[H])C1([H])O",
-		"atom_name": ["HO5'", "O5'", "C5'", "H5'1", "H5'2", "C4'", "H4'", "O4'", "C1'", "H1'", "N1", "C2", "O2", "N3", "H3", "C4", "O4", "C5", "H5", "C6", "H6", "C2'", "H2'", "O2'", "HO2'", "C3'", "H3'", "O3'"],
-		"link_labels": {"27": "3-prime"}
-	},
-	"CN": {
-		"smiles": "[H]OC([H])([H])C1([H])OC([H])(N2C(=O)N=C(N([H])[H])C([H])=C2[H])C([H])(O[H])C1([H])O[H]",
-		"atom_name": ["H5'", "O5'", "C5'", "H5'1", "H5'2", "C4'", "H4'", "O4'", "C1'", "H1'", "N1", "C2", "O2", "N3", "C4", "N4", "HN41", "HN42", "C5", "H5", "C6", "H6", "C2'", "H2'", "O2'", "H1", "C3'", "H3'", "O3'", "H2"],
-		"link_labels": {}
-	},
-	"C5": {
-		"smiles": "[H]OC([H])([H])C1([H])OC([H])(N2C(=O)N=C(N([H])[H])C([H])=C2[H])C([H])(O[H])C1([H])O",
-		"atom_name": ["H5'", "O5'", "C5'", "H5'1", "H5'2", "C4'", "H4'", "O4'", "C1'", "H1'", "N1", "C2", "O2", "N3", "C4", "N4", "HN41", "HN42", "C5", "H5", "C6", "H6", "C2'", "H2'", "O2'", "H1", "C3'", "H3'", "O3'"],
-		"link_labels": {"28": "3-prime"}
-	},
-	"GN": {
-		"smiles": "[H]OC([H])([H])C1([H])OC([H])(N2C([H])=NC3=C2N=C(N([H])[H])N([H])C3=O)C([H])(O[H])C1([H])O[H]",
-		"atom_name": ["HO5'", "O5'", "C5'", "H5'1", "H5'2", "C4'", "H4'", "O4'", "C1'", "H1'", "N9", "C8", "H8", "N7", "C5", "C4", "N3", "C2", "N2", "HN21", "HN22", "N1", "HN1", "C6", "O6", "C2'", "H2'", "O2'", "HO2'", "C3'", "H3'", "O3'", "HO3'"],
-		"link_labels": {}
-	},
-	"G5": {
-		"smiles": "[H]OC([H])([H])C1([H])OC([H])(N2C([H])=NC3=C2N=C(N([H])[H])N([H])C3=O)C([H])(O[H])C1([H])O",
-		"atom_name": ["HO5'", "O5'", "C5'", "H5'1", "H5'2", "C4'", "H4'", "O4'", "C1'", "H1'", "N9", "C8", "H8", "N7", "C5", "C4", "N3", "C2", "N2", "HN21", "HN22", "N1", "HN1", "C6", "O6", "C2'", "H2'", "O2'", "HO2'", "C3'", "H3'", "O3'"],
-		"link_labels": {"31": "3-prime"}
-	},
-	"DAN": {
-		"smiles": "[H]OC([H])([H])C1([H])OC([H])(N2C([H])=NC3=C(N([H])[H])N=C([H])N=C32)C([H])([H])C1([H])O[H]",
-		"atom_name": ["H5'", "O5'", "C5'", "H5'1", "H5'2", "C4'", "H4'", "O4'", "C1'", "H1'", "N9", "C8", "H8", "N7", "C5", "C6", "N6", "HN61", "HN62", "N1", "C2", "H2", "N3", "C4", "C2'", "H2'1", "H2'2", "C3'", "H3'", "O3'", "H1"],
-		"link_labels": {}
-	},
-	"DA5": {
-		"smiles": "[H]OC([H])([H])C1([H])OC([H])(N2C([H])=NC3=C(N([H])[H])N=C([H])N=C32)C([H])([H])C1([H])O",
-		"atom_name": ["H5'", "O5'", "C5'", "H5'1", "H5'2", "C4'", "H4'", "O4'", "C1'", "H1'", "N9", "C8", "H8", "N7", "C5", "C6", "N6", "HN61", "HN62", "N1", "C2", "H2", "N3", "C4", "C2'", "H2'1", "H2'2", "C3'", "H3'", "O3'"],
-		"link_labels": {"29": "3-prime"}
-	},
-	"DTN": {
-		"smiles": "[H]OC([H])([H])C1([H])OC([H])(N2C(=O)N([H])C(=O)C(C([H])([H])[H])=C2[H])C([H])([H])C1([H])O[H]",
-		"atom_name": ["HO5'", "O5'", "C5'", "H5'1", "H5'2", "C4'", "H4'", "O4'", "C1'", "H1'", "N1", "C2", "O2", "N3", "HN3", "C4", "O4", "C5", "C5M", "HM51", "HM52", "HM53", "C6", "H6", "C2'", "H2'1", "H2'2", "C3'", "H3'", "O3'", "HO3'"],
-		"link_labels": {}
-	},
-	"DT5": {
-		"smiles": "[H]OC([H])([H])C1([H])OC([H])(N2C(=O)N([H])C(=O)C(C([H])([H])[H])=C2[H])C([H])([H])C1([H])O",
-		"atom_name": ["HO5'", "O5'", "C5'", "H5'1", "H5'2", "C4'", "H4'", "O4'", "C1'", "H1'", "N1", "C2", "O2", "N3", "HN3", "C4", "O4", "C5", "C5M", "HM51", "HM52", "HM53", "C6", "H6", "C2'", "H2'1", "H2'2", "C3'", "H3'", "O3'"],
-		"link_labels": {"29": "3-prime"}
-	},
-	"DCN": {
-		"smiles": "[H]OC([H])([H])C1([H])OC([H])(N2C(=O)N=C(N([H])[H])C([H])=C2[H])C([H])([H])C1([H])O[H]",
-		"atom_name": ["HO51", "O5'", "C5'", "H5'1", "H5'2", "C4'", "H4'", "O4'", "C1'", "H1'", "N1", "C2", "O2", "N3", "C4", "N4", "HN41", "HN42", "C5", "H5", "C6", "H6", "C2'", "H2'1", "H2'2", "C3'", "H3'", "O3'", "HO3'"],
-		"link_labels": {}
-	},
-	"DC5": {
-		"smiles": "[H]OC([H])([H])C1([H])OC([H])(N2C(=O)N=C(N([H])[H])C([H])=C2[H])C([H])([H])C1([H])O",
-		"atom_name": ["HO51", "O5'", "C5'", "H5'1", "H5'2", "C4'", "H4'", "O4'", "C1'", "H1'", "N1", "C2", "O2", "N3", "C4", "N4", "HN41", "HN42", "C5", "H5", "C6", "H6", "C2'", "H2'1", "H2'2", "C3'", "H3'", "O3'"],
-		"link_labels": {"27": "3-prime"}
-	},
 	"DGN": {
 		"smiles": "[H]OC([H])([H])C1([H])OC([H])(N2C([H])=NC3=C2N=C(N([H])[H])N([H])C3=O)C([H])([H])C1([H])O[H]",
-		"atom_name": ["HO5'", "O5'", "C5'", "H5'2", "H5'1", "C4'", "H4'", "O4'", "C1'", "H1'", "N9", "C8", "H8", "N7", "C5", "C4", "N3", "C2", "N2", "HN22", "HN21", "N1", "HN1", "C6", "O6", "C2'", "H2'2", "H2'1", "C3'", "H3'", "O3'", "H1"],
+		"atom_name": ["HO5'", "O5'", "C5'", "H5'", "H5''", "C4'", "H4'", "O4'", "C1'", "H1'", "N9", "C8", "H8", "N7", "C5", "C4", "N3", "C2", "N2", "H21", "H22", "N1", "H1", "C6", "O6", "C2'", "H2'", "H2''", "C3'", "H3'", "O3'", "HO3'"],
 		"link_labels": {}
 	},
 	"DG5": {
 		"smiles": "[H]OC([H])([H])C1([H])OC([H])(N2C([H])=NC3=C2N=C(N([H])[H])N([H])C3=O)C([H])([H])C1([H])O",
-		"atom_name": ["HO5'", "O5'", "C5'", "H5'2", "H5'1", "C4'", "H4'", "O4'", "C1'", "H1'", "N9", "C8", "H8", "N7", "C5", "C4", "N3", "C2", "N2", "HN22", "HN21", "N1", "HN1", "C6", "O6", "C2'", "H2'2", "H2'1", "C3'", "H3'", "O3'"],
+		"atom_name": ["HO5'", "O5'", "C5'", "H5'", "H5''", "C4'", "H4'", "O4'", "C1'", "H1'", "N9", "C8", "H8", "N7", "C5", "C4", "N3", "C2", "N2", "H21", "H22", "N1", "H1", "C6", "O6", "C2'", "H2'", "H2''", "C3'", "H3'", "O3'"],
 		"link_labels": {"30": "3-prime"}
 	},
 		"ALA": {

From 4658a56aec224d646f1b950206525e5396bb4208 Mon Sep 17 00:00:00 2001
From: Amy He <ayhe1768@gmail.com>
Date: Sat, 28 Sep 2024 10:22:35 -0700
Subject: [PATCH 017/166] use if foo is None to check for None

---
 meeko/linked_rdkit_chorizo.py | 3 ++-
 1 file changed, 2 insertions(+), 1 deletion(-)

diff --git a/meeko/linked_rdkit_chorizo.py b/meeko/linked_rdkit_chorizo.py
index 039145bd..ffce80a1 100644
--- a/meeko/linked_rdkit_chorizo.py
+++ b/meeko/linked_rdkit_chorizo.py
@@ -1464,7 +1464,8 @@ def _add_if_new(to_dict, key, value, repeat_log):
                 pdb_block, removeHs=False
             )  # TODO RDKit ignores AltLoc ?
 
-            if not pdbmol:
+            # MolFromPDBBlock returns None on failure
+            if pdbmol is None: 
                 raise RuntimeError(f"An error occurred while trying to build pdb mol for {reskey} {resname}")
 
             resname = list(reskey_to_resname[reskey])[

From 9d8593f4f6a29d7fbdaa808e92b0d76998791358 Mon Sep 17 00:00:00 2001
From: Amy He <ayhe1768@gmail.com>
Date: Sat, 28 Sep 2024 19:47:18 -0700
Subject: [PATCH 018/166] minimal fix for delete_residues in
 mk_prepare_receptor

---
 scripts/mk_prepare_receptor.py | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/scripts/mk_prepare_receptor.py b/scripts/mk_prepare_receptor.py
index 57aafe7b..7bdb81c2 100755
--- a/scripts/mk_prepare_receptor.py
+++ b/scripts/mk_prepare_receptor.py
@@ -382,7 +382,7 @@ def get_args():
     j = [(k, int(v)) for k, v in j.items()]
     blunt_ends.extend(j)
 if args.delete_residues is not None:
-    del_res.update(json.loads(args.delete_residues))
+    del_res.extend(json.loads(args.delete_residues))
 if args.mk_config is not None:
     with open(args.mk_config) as f:
         mk_config = json.load(f)

From 88261702c34d304ce5438bdff5e10af0e3dd7406 Mon Sep 17 00:00:00 2001
From: Amy He <ayhe1768@gmail.com>
Date: Sun, 29 Sep 2024 12:05:04 -0700
Subject: [PATCH 019/166] add phosphate capping (p); strip X_, XN from
 ambiguous; add currently supported ions in AD

---
 meeko/data/residue_chem_templates.json | 571 +++++++++++++------------
 meeko/linked_rdkit_chorizo.py          |   4 +-
 2 files changed, 305 insertions(+), 270 deletions(-)

diff --git a/meeko/data/residue_chem_templates.json b/meeko/data/residue_chem_templates.json
index 6c0ceb46..a882bc9b 100644
--- a/meeko/data/residue_chem_templates.json
+++ b/meeko/data/residue_chem_templates.json
@@ -1,13 +1,13 @@
 {
     "ambiguous": {
-        "A": ["A_", "A", "A3", "A5p", "AN", "A5"],
-        "U": ["U_", "U", "U3", "U5p", "UN", "U5"],
-        "C": ["C_", "C", "C3", "C5p", "CN", "C5"],
-        "G": ["G_", "G", "G3", "G5p", "GN", "G5"],
-        "DA": ["DA_", "DA", "DA3", "DA5p", "DAN", "DA5"],
-        "DT": ["DT_", "DT", "DT3", "DT5p", "DTN", "DT5"],
-        "DC": ["DC_", "DC", "DC3", "DC5p", "DCN", "DC5"],
-        "DG": ["DG_", "DG", "DG3", "DG5p", "DGN", "DG5"],
+        "A": ["A", "A3", "A5p", "A5", "p"],
+        "U": ["U", "U3", "U5p", "U5", "p"],
+        "C": ["C", "C3", "C5p", "C5", "p"],
+        "G": ["G", "G3", "G5p", "G5", "p"],
+        "DA": ["DA", "DA3", "DA5p", "DA5", "p"],
+        "DT": ["DT", "DT3", "DT5p", "DT5", "p"],
+        "DC": ["DC", "DC3", "DC5p", "DC5", "p"],
+        "DG": ["DG", "DG3", "DG5p", "DG5", "p"],
 		"HIS": ["HIE", "HID", "HIP", "NHIE", "NHID", "NHIP", "CHIE", "CHID", "CHIP"],
     	"CYS": ["CYS", "CYX", "CYX-", "NCYS", "NCYX", "NCYX-", "CCYS", "CCYX", "CCYX-"],
     	"CYX": [       "CYX", "CYX-",         "NCYX", "NCYX-",         "CCYX", "CCYX-"],
@@ -68,266 +68,301 @@
     	    "atom_name": ["C", "O", "CH3", "H1", "H2", "H3"],
     	    "link_labels": {"0": "C-term"}
     	},
-	"MG": {
-	    "smiles": "[Mg+2]",
-	    "link_labels": {},
-	    "atom_name": ["MG"]
-	},
-	"MN": {
-	    "smiles": "[Mn+2]",
-	    "link_labels": {},
-	    "atom_name": ["MN"]
-	},
-	"ZN": {
-	    "smiles": "[Zn+2]",
-	    "link_labels": {},
-	    "atom_name": ["ZN"]
-	},
-	"HOH": {
-	    "smiles": "O([H])[H]",
-	    "link_labels": {},
-	    "atom_name": ["OW", "HW1", "HW2"]
-	},
-	"A_": {
-		"smiles": "[H]OC1([H])C([H])(N2C([H])=NC3=C2N=C([H])N=C3N([H])[H])OC([H])(C([H])([H])OP(=O)([O-])[O-])C1([H])O[H]",
-		"atom_name": ["HO2'", "O2'", "C2'", "H2'", "C1'", "H1'", "N9", "C8", "H8", "N7", "C5", "C4", "N3", "C2", "H2", "N1", "C6", "N6", "H61", "H62", "O4'", "C4'", "H4'", "C5'", "H5'", "H5''", "O5'", "P", "OP1", "OP3", "OP2", "C3'", "H3'", "O3'", "HO3'"],
-		"link_labels": {}
-	},
-	"A": {
-		"smiles": "[H]OC1([H])C([H])(N2C([H])=NC3=C2N=C([H])N=C3N([H])[H])OC([H])(C([H])([H])OP(=O)[O-])C1([H])O",
-		"atom_name": ["HO2'", "O2'", "C2'", "H2'", "C1'", "H1'", "N9", "C8", "H8", "N7", "C5", "C4", "N3", "C2", "H2", "N1", "C6", "N6", "H61", "H62", "O4'", "C4'", "H4'", "C5'", "H5'", "H5''", "O5'", "P", "OP1", "OP2", "C3'", "H3'", "O3'"],
-		"link_labels": {"27": "5-prime", "32": "3-prime"}
-	},
-	"A3": {
-		"smiles": "[H]OC1([H])C([H])(N2C([H])=NC3=C2N=C([H])N=C3N([H])[H])OC([H])(C([H])([H])OP(=O)[O-])C1([H])O[H]",
-		"atom_name": ["HO2'", "O2'", "C2'", "H2'", "C1'", "H1'", "N9", "C8", "H8", "N7", "C5", "C4", "N3", "C2", "H2", "N1", "C6", "N6", "H61", "H62", "O4'", "C4'", "H4'", "C5'", "H5'", "H5''", "O5'", "P", "OP1", "OP2", "C3'", "H3'", "O3'", "HO3'"],
-		"link_labels": {"27": "5-prime"}
-	},
-	"A5p": {
-		"smiles": "[H]OC1([H])C([H])(N2C([H])=NC3=C2N=C([H])N=C3N([H])[H])OC([H])(C([H])([H])OP(=O)([O-])[O-])C1([H])O",
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-		"atom_name": ["H6", "C6", "C5", "C7", "H71", "H72", "H73", "C4", "O4", "N3", "H3", "C2", "O2", "N1", "C1'", "H1'", "O4'", "C4'", "H4'", "C5'", "H5'", "H5''", "O5'", "P", "OP1", "OP3", "OP2", "C3'", "H3'", "O3'", "C2'", "H2'", "H2''"],
-		"link_labels": {"29": "3-prime"}
-	},
-	"DTN": {
-		"smiles": "[H]OC([H])([H])C1([H])OC([H])(N2C(=O)N([H])C(=O)C(C([H])([H])[H])=C2[H])C([H])([H])C1([H])O[H]",
-		"atom_name": ["HO5'", "O5'", "C5'", "H5'", "H5''", "C4'", "H4'", "O4'", "C1'", "H1'", "N1", "C2", "O2", "N3", "H3", "C4", "O4", "C5", "C7", "H71", "H72", "H73", "C6", "H6", "C2'", "H2'", "H2''", "C3'", "H3'", "O3'", "HO3'"],
-		"link_labels": {}
-	},
-	"DT5": {
-		"smiles": "[H]OC([H])([H])C1([H])OC([H])(N2C(=O)N([H])C(=O)C(C([H])([H])[H])=C2[H])C([H])([H])C1([H])O",
-		"atom_name": ["HO5'", "O5'", "C5'", "H5'", "H5''", "C4'", "H4'", "O4'", "C1'", "H1'", "N1", "C2", "O2", "N3", "H3", "C4", "O4", "C5", "C7", "H71", "H72", "H73", "C6", "H6", "C2'", "H2'", "H2''", "C3'", "H3'", "O3'"],
-		"link_labels": {"29": "3-prime"}
-	},
-	"DC_": {
-		"smiles": "[H]OC1([H])C([H])([H])C([H])(N2C(=O)N=C(N([H])[H])C([H])=C2[H])OC1([H])C([H])([H])OP(=O)([O-])[O-]",
-		"atom_name": ["HO3'", "O3'", "C3'", "H3'", "C2'", "H2'", "H2''", "C1'", "H1'", "N1", "C2", "O2", "N3", "C4", "N4", "H41", "H42", "C5", "H5", "C6", "H6", "O4'", "C4'", "H4'", "C5'", "H5'", "H5''", "O5'", "P", "OP1", "OP3", "OP2"],
-		"link_labels": {}
-	},
-	"DC": {
-		"smiles": "[H]C1=C([H])N(C2([H])OC([H])(C([H])([H])OP(=O)[O-])C([H])(O)C2([H])[H])C(=O)N=C1N([H])[H]",
-		"atom_name": ["H5", "C5", "C6", "H6", "N1", "C1'", "H1'", "O4'", "C4'", "H4'", "C5'", "H5'", "H5''", "O5'", "P", "OP1", "OP2", "C3'", "H3'", "O3'", "C2'", "H2'", "H2''", "C2", "O2", "N3", "C4", "N4", "H41", "H42"],
-		"link_labels": {"14": "5-prime", "19": "3-prime"}
-	},
-	"DC3": {
-		"smiles": "[H]OC1([H])C([H])([H])C([H])(N2C(=O)N=C(N([H])[H])C([H])=C2[H])OC1([H])C([H])([H])OP(=O)[O-]",
-		"atom_name": ["HO3'", "O3'", "C3'", "H3'", "C2'", "H2'", "H2''", "C1'", "H1'", "N1", "C2", "O2", "N3", "C4", "N4", "H41", "H42", "C5", "H5", "C6", "H6", "O4'", "C4'", "H4'", "C5'", "H5'", "H5''", "O5'", "P", "OP1", "OP2"],
-		"link_labels": {"28": "5-prime"}
-	},
-	"DC5p": {
-		"smiles": "[H]C1=C([H])N(C2([H])OC([H])(C([H])([H])OP(=O)([O-])[O-])C([H])(O)C2([H])[H])C(=O)N=C1N([H])[H]",
-		"atom_name": ["H5", "C5", "C6", "H6", "N1", "C1'", "H1'", "O4'", "C4'", "H4'", "C5'", "H5'", "H5''", "O5'", "P", "OP1", "OP3", "OP2", "C3'", "H3'", "O3'", "C2'", "H2'", "H2''", "C2", "O2", "N3", "C4", "N4", "H41", "H42"],
-		"link_labels": {"20": "3-prime"}
-	},
-	"DCN": {
-		"smiles": "[H]OC([H])([H])C1([H])OC([H])(N2C(=O)N=C(N([H])[H])C([H])=C2[H])C([H])([H])C1([H])O[H]",
-		"atom_name": ["HO5'", "O5'", "C5'", "H5'", "H5''", "C4'", "H4'", "O4'", "C1'", "H1'", "N1", "C2", "O2", "N3", "C4", "N4", "H41", "H42", "C5", "H5", "C6", "H6", "C2'", "H2'", "H2''", "C3'", "H3'", "O3'", "HO3'"],
-		"link_labels": {}
-	},
-	"DC5": {
-		"smiles": "[H]OC([H])([H])C1([H])OC([H])(N2C(=O)N=C(N([H])[H])C([H])=C2[H])C([H])([H])C1([H])O",
-		"atom_name": ["HO5'", "O5'", "C5'", "H5'", "H5''", "C4'", "H4'", "O4'", "C1'", "H1'", "N1", "C2", "O2", "N3", "C4", "N4", "H41", "H42", "C5", "H5", "C6", "H6", "C2'", "H2'", "H2''", "C3'", "H3'", "O3'"],
-		"link_labels": {"27": "3-prime"}
-	},
-	"DG_": {
-		"smiles": "[H]OC1([H])C([H])([H])C([H])(N2C([H])=NC3=C2N=C(N([H])[H])N([H])C3=O)OC1([H])C([H])([H])OP(=O)([O-])[O-]",
-		"atom_name": ["HO3'", "O3'", "C3'", "H3'", "C2'", "H2'", "H2''", "C1'", "H1'", "N9", "C8", "H8", "N7", "C5", "C4", "N3", "C2", "N2", "H21", "H22", "N1", "H1", "C6", "O6", "O4'", "C4'", "H4'", "C5'", "H5'", "H5''", "O5'", "P", "OP1", "OP3", "OP2"],
-		"link_labels": {}
-	},
-	"DG": {
-		"smiles": "[H]C1=NC2=C(N=C(N([H])[H])N([H])C2=O)N1C1([H])OC([H])(C([H])([H])OP(=O)[O-])C([H])(O)C1([H])[H]",
-		"atom_name": ["H8", "C8", "N7", "C5", "C4", "N3", "C2", "N2", "H21", "H22", "N1", "H1", "C6", "O6", "N9", "C1'", "H1'", "O4'", "C4'", "H4'", "C5'", "H5'", "H5''", "O5'", "P", "OP1", "OP2", "C3'", "H3'", "O3'", "C2'", "H2'", "H2''"],
-		"link_labels": {"24": "5-prime", "29": "3-prime"}
-	},
-	"DG3": {
-		"smiles": "[H]OC1([H])C([H])([H])C([H])(N2C([H])=NC3=C2N=C(N([H])[H])N([H])C3=O)OC1([H])C([H])([H])OP(=O)[O-]",
-		"atom_name": ["HO3'", "O3'", "C3'", "H3'", "C2'", "H2'", "H2''", "C1'", "H1'", "N9", "C8", "H8", "N7", "C5", "C4", "N3", "C2", "N2", "H21", "H22", "N1", "H1", "C6", "O6", "O4'", "C4'", "H4'", "C5'", "H5'", "H5''", "O5'", "P", "OP1", "OP2"],
-		"link_labels": {"31": "5-prime"}
-	},
-	"DG5p": {
-		"smiles": "[H]C1=NC2=C(N=C(N([H])[H])N([H])C2=O)N1C1([H])OC([H])(C([H])([H])OP(=O)([O-])[O-])C([H])(O)C1([H])[H]",
-		"atom_name": ["H8", "C8", "N7", "C5", "C4", "N3", "C2", "N2", "H21", "H22", "N1", "H1", "C6", "O6", "N9", "C1'", "H1'", "O4'", "C4'", "H4'", "C5'", "H5'", "H5''", "O5'", "P", "OP1", "OP3", "OP2", "C3'", "H3'", "O3'", "C2'", "H2'", "H2''"],
-		"link_labels": {"30": "3-prime"}
-	},
-	"DGN": {
-		"smiles": "[H]OC([H])([H])C1([H])OC([H])(N2C([H])=NC3=C2N=C(N([H])[H])N([H])C3=O)C([H])([H])C1([H])O[H]",
-		"atom_name": ["HO5'", "O5'", "C5'", "H5'", "H5''", "C4'", "H4'", "O4'", "C1'", "H1'", "N9", "C8", "H8", "N7", "C5", "C4", "N3", "C2", "N2", "H21", "H22", "N1", "H1", "C6", "O6", "C2'", "H2'", "H2''", "C3'", "H3'", "O3'", "HO3'"],
-		"link_labels": {}
-	},
-	"DG5": {
-		"smiles": "[H]OC([H])([H])C1([H])OC([H])(N2C([H])=NC3=C2N=C(N([H])[H])N([H])C3=O)C([H])([H])C1([H])O",
-		"atom_name": ["HO5'", "O5'", "C5'", "H5'", "H5''", "C4'", "H4'", "O4'", "C1'", "H1'", "N9", "C8", "H8", "N7", "C5", "C4", "N3", "C2", "N2", "H21", "H22", "N1", "H1", "C6", "O6", "C2'", "H2'", "H2''", "C3'", "H3'", "O3'"],
-		"link_labels": {"30": "3-prime"}
-	},
+		"F": {
+			"smiles": "[F-]",
+			"atom_name": ["F"],
+			"link_labels": {}
+			},
+		"MG": {
+			"smiles": "[Mg+2]",
+			"atom_name": ["MG"],
+			"link_labels": {}
+		},
+		"CL": {
+			"smiles": "[Cl-]",
+			"atom_name": ["CL"],
+			"link_labels": {}
+		},
+		"CA": {
+			"smiles": "[Ca+2]",
+			"atom_name": ["CA"],
+			"link_labels": {},
+		},
+		"MN": {
+			"smiles": "[Mn+2]",
+			"atom_name": ["MN"],
+			"link_labels": {}
+		},
+		"FE": {
+			"smiles": "[Fe+3]",
+			"atom_name": ["FE"],
+			"link_labels": {}
+		},
+		"ZN": {
+			"smiles": "[Zn+2]",
+			"link_labels": {},
+			"atom_name": ["ZN"]
+		},
+		"BR": {
+			"smiles": "[Br-]",
+			"atom_name": ["BR"],
+			"link_labels": {}
+		},
+		"I": {
+			"smiles": "[I-]",
+			"atom_name": ["I"],
+			"link_labels": {}
+		},
+		"HOH": {
+			"smiles": "O([H])[H]",
+			"atom_name": ["OW", "HW1", "HW2"],
+			"link_labels": {}
+		},
+		"p": {
+			"smiles": "P(=O)([O-])[O-]",
+			"atom_name": [ "P", "OP1", "OP2", "OP3"],
+			"link_labels": {"0": "3-prime"}
+		},
+		"A_": {
+			"smiles": "[H]OC1([H])C([H])(N2C([H])=NC3=C2N=C([H])N=C3N([H])[H])OC([H])(C([H])([H])OP(=O)([O-])[O-])C1([H])O[H]",
+			"atom_name": ["HO2'", "O2'", "C2'", "H2'", "C1'", "H1'", "N9", "C8", "H8", "N7", "C5", "C4", "N3", "C2", "H2", "N1", "C6", "N6", "H61", "H62", "O4'", "C4'", "H4'", "C5'", "H5'", "H5''", "O5'", "P", "OP1", "OP3", "OP2", "C3'", "H3'", "O3'", "HO3'"],
+			"link_labels": {}
+		},
+		"A": {
+			"smiles": "[H]OC1([H])C([H])(N2C([H])=NC3=C2N=C([H])N=C3N([H])[H])OC([H])(C([H])([H])OP(=O)[O-])C1([H])O",
+			"atom_name": ["HO2'", "O2'", "C2'", "H2'", "C1'", "H1'", "N9", "C8", "H8", "N7", "C5", "C4", "N3", "C2", "H2", "N1", "C6", "N6", "H61", "H62", "O4'", "C4'", "H4'", "C5'", "H5'", "H5''", "O5'", "P", "OP1", "OP2", "C3'", "H3'", "O3'"],
+			"link_labels": {"27": "5-prime", "32": "3-prime"}
+		},
+		"A3": {
+			"smiles": "[H]OC1([H])C([H])(N2C([H])=NC3=C2N=C([H])N=C3N([H])[H])OC([H])(C([H])([H])OP(=O)[O-])C1([H])O[H]",
+			"atom_name": ["HO2'", "O2'", "C2'", "H2'", "C1'", "H1'", "N9", "C8", "H8", "N7", "C5", "C4", "N3", "C2", "H2", "N1", "C6", "N6", "H61", "H62", "O4'", "C4'", "H4'", "C5'", "H5'", "H5''", "O5'", "P", "OP1", "OP2", "C3'", "H3'", "O3'", "HO3'"],
+			"link_labels": {"27": "5-prime"}
+		},
+		"A5p": {
+			"smiles": "[H]OC1([H])C([H])(N2C([H])=NC3=C2N=C([H])N=C3N([H])[H])OC([H])(C([H])([H])OP(=O)([O-])[O-])C1([H])O",
+			"atom_name": ["HO2'", "O2'", "C2'", "H2'", "C1'", "H1'", "N9", "C8", "H8", "N7", "C5", "C4", "N3", "C2", "H2", "N1", "C6", "N6", "H61", "H62", "O4'", "C4'", "H4'", "C5'", "H5'", "H5''", "O5'", "P", "OP1", "OP3", "OP2", "C3'", "H3'", "O3'"],
+			"link_labels": {"33": "3-prime"}
+		},
+		"AN": {
+			"smiles": "[H]OC([H])([H])C1([H])OC([H])(N2C([H])=NC3=C2N=C([H])N=C3N([H])[H])C([H])(O[H])C1([H])O[H]",
+			"atom_name": ["HO5'", "O5'", "C5'", "H5'", "H5''", "C4'", "H4'", "O4'", "C1'", "H1'", "N9", "C8", "H8", "N7", "C5", "C4", "N3", "C2", "H2", "N1", "C6", "N6", "H61", "H62", "C2'", "H2'", "O2'", "HO2'", "C3'", "H3'", "O3'", "HO3'"],
+			"link_labels": {}
+		},
+		"A5": {
+			"smiles": "[H]OC([H])([H])C1([H])OC([H])(N2C([H])=NC3=C2N=C([H])N=C3N([H])[H])C([H])(O[H])C1([H])O",
+			"atom_name": ["HO5'", "O5'", "C5'", "H5'", "H5''", "C4'", "H4'", "O4'", "C1'", "H1'", "N9", "C8", "H8", "N7", "C5", "C4", "N3", "C2", "H2", "N1", "C6", "N6", "H61", "H62", "C2'", "H2'", "O2'", "HO2'", "C3'", "H3'", "O3'"],
+			"link_labels": {"30": "3-prime"}
+		},
+		"U_": {
+			"smiles": "[H]OC1([H])C([H])(N2C(=O)N([H])C(=O)C([H])=C2[H])OC([H])(C([H])([H])OP(=O)([O-])[O-])C1([H])O[H]",
+			"atom_name": ["HO2'", "O2'", "C2'", "H2'", "C1'", "H1'", "N1", "C2", "O2", "N3", "H3", "C4", "O4", "C5", "H5", "C6", "H6", "O4'", "C4'", "H4'", "C5'", "H5'", "H5''", "O5'", "P", "OP1", "OP3", "OP2", "C3'", "H3'", "O3'", "HO3'"],
+			"link_labels": {}
+		},
+		"U": {
+			"smiles": "[H]OC1([H])C([H])(N2C(=O)N([H])C(=O)C([H])=C2[H])OC([H])(C([H])([H])OP(=O)[O-])C1([H])O",
+			"atom_name": ["HO2'", "O2'", "C2'", "H2'", "C1'", "H1'", "N1", "C2", "O2", "N3", "H3", "C4", "O4", "C5", "H5", "C6", "H6", "O4'", "C4'", "H4'", "C5'", "H5'", "H5''", "O5'", "P", "OP1", "OP2", "C3'", "H3'", "O3'"],
+			"link_labels": {"24": "5-prime", "29": "3-prime"}
+		},
+		"U3": {
+			"smiles": "[H]OC1([H])C([H])(N2C(=O)N([H])C(=O)C([H])=C2[H])OC([H])(C([H])([H])OP(=O)[O-])C1([H])O[H]",
+			"atom_name": ["HO2'", "O2'", "C2'", "H2'", "C1'", "H1'", "N1", "C2", "O2", "N3", "H3", "C4", "O4", "C5", "H5", "C6", "H6", "O4'", "C4'", "H4'", "C5'", "H5'", "H5''", "O5'", "P", "OP1", "OP2", "C3'", "H3'", "O3'", "HO3'"],
+			"link_labels": {"24": "5-prime"}
+		},
+		"U5p": {
+			"smiles": "[H]OC1([H])C([H])(N2C(=O)N([H])C(=O)C([H])=C2[H])OC([H])(C([H])([H])OP(=O)([O-])[O-])C1([H])O",
+			"atom_name": ["HO2'", "O2'", "C2'", "H2'", "C1'", "H1'", "N1", "C2", "O2", "N3", "H3", "C4", "O4", "C5", "H5", "C6", "H6", "O4'", "C4'", "H4'", "C5'", "H5'", "H5''", "O5'", "P", "OP1", "OP3", "OP2", "C3'", "H3'", "O3'"],
+			"link_labels": {"30": "3-prime"}
+		},
+		"UN": {
+			"smiles": "[H]OC([H])([H])C1([H])OC([H])(N2C(=O)N([H])C(=O)C([H])=C2[H])C([H])(O[H])C1([H])O[H]",
+			"atom_name": ["HO5'", "O5'", "C5'", "H5'", "H5''", "C4'", "H4'", "O4'", "C1'", "H1'", "N1", "C2", "O2", "N3", "H3", "C4", "O4", "C5", "H5", "C6", "H6", "C2'", "H2'", "O2'", "HO2'", "C3'", "H3'", "O3'", "HO3'"],
+			"link_labels": {}
+		},
+		"U5": {
+			"smiles": "[H]OC([H])([H])C1([H])OC([H])(N2C(=O)N([H])C(=O)C([H])=C2[H])C([H])(O[H])C1([H])O",
+			"atom_name": ["HO5'", "O5'", "C5'", "H5'", "H5''", "C4'", "H4'", "O4'", "C1'", "H1'", "N1", "C2", "O2", "N3", "H3", "C4", "O4", "C5", "H5", "C6", "H6", "C2'", "H2'", "O2'", "HO2'", "C3'", "H3'", "O3'"],
+			"link_labels": {"27": "3-prime"}
+		},
+		"C_": {
+			"smiles": "[H]OC1([H])C([H])(N2C(=O)N=C(N([H])[H])C([H])=C2[H])OC([H])(C([H])([H])OP(=O)([O-])[O-])C1([H])O[H]",
+			"atom_name": ["HO2'", "O2'", "C2'", "H2'", "C1'", "H1'", "N1", "C2", "O2", "N3", "C4", "N4", "H41", "H42", "C5", "H5", "C6", "H6", "O4'", "C4'", "H4'", "C5'", "H5'", "H5''", "O5'", "P", "OP1", "OP3", "OP2", "C3'", "H3'", "O3'", "HO3'"],
+			"link_labels": {}
+		},
+		"C": {
+			"smiles": "[H]OC1([H])C([H])(N2C(=O)N=C(N([H])[H])C([H])=C2[H])OC([H])(C([H])([H])OP(=O)[O-])C1([H])O",
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+			"link_labels": {"25": "5-prime", "30": "3-prime"}
+		},
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+			"link_labels": {"25": "5-prime"}
+		},
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+			"link_labels": {"31": "3-prime"}
+		},
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+			"link_labels": {}
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+			"link_labels": {"28": "3-prime"}
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+			"link_labels": {}
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+			"link_labels": {"28": "5-prime", "33": "3-prime"}
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+			"link_labels": {"28": "5-prime"}
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+			"link_labels": {"34": "3-prime"}
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+			"link_labels": {}
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+			"link_labels": {"31": "3-prime"}
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+			"link_labels": {}
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+			"link_labels": {"18": "5-prime", "23": "3-prime"}
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+			"link_labels": {"30": "5-prime"}
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+			"link_labels": {"24": "3-prime"}
+		},
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+			"link_labels": {}
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+			"link_labels": {"29": "3-prime"}
+		},
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+			"link_labels": {}
+		},
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+			"link_labels": {"23": "5-prime", "28": "3-prime"}
+		},
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+			"link_labels": {"30": "5-prime"}
+		},
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+			"link_labels": {"29": "3-prime"}
+		},
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+			"atom_name": ["HO5'", "O5'", "C5'", "H5'", "H5''", "C4'", "H4'", "O4'", "C1'", "H1'", "N1", "C2", "O2", "N3", "H3", "C4", "O4", "C5", "C7", "H71", "H72", "H73", "C6", "H6", "C2'", "H2'", "H2''", "C3'", "H3'", "O3'", "HO3'"],
+			"link_labels": {}
+		},
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+			"atom_name": ["HO5'", "O5'", "C5'", "H5'", "H5''", "C4'", "H4'", "O4'", "C1'", "H1'", "N1", "C2", "O2", "N3", "H3", "C4", "O4", "C5", "C7", "H71", "H72", "H73", "C6", "H6", "C2'", "H2'", "H2''", "C3'", "H3'", "O3'"],
+			"link_labels": {"29": "3-prime"}
+		},
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+			"link_labels": {}
+		},
+		"DC": {
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+			"atom_name": ["H5", "C5", "C6", "H6", "N1", "C1'", "H1'", "O4'", "C4'", "H4'", "C5'", "H5'", "H5''", "O5'", "P", "OP1", "OP2", "C3'", "H3'", "O3'", "C2'", "H2'", "H2''", "C2", "O2", "N3", "C4", "N4", "H41", "H42"],
+			"link_labels": {"14": "5-prime", "19": "3-prime"}
+		},
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+			"atom_name": ["HO3'", "O3'", "C3'", "H3'", "C2'", "H2'", "H2''", "C1'", "H1'", "N1", "C2", "O2", "N3", "C4", "N4", "H41", "H42", "C5", "H5", "C6", "H6", "O4'", "C4'", "H4'", "C5'", "H5'", "H5''", "O5'", "P", "OP1", "OP2"],
+			"link_labels": {"28": "5-prime"}
+		},
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+			"link_labels": {"20": "3-prime"}
+		},
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+			"link_labels": {}
+		},
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+			"link_labels": {"27": "3-prime"}
+		},
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+			"atom_name": ["HO3'", "O3'", "C3'", "H3'", "C2'", "H2'", "H2''", "C1'", "H1'", "N9", "C8", "H8", "N7", "C5", "C4", "N3", "C2", "N2", "H21", "H22", "N1", "H1", "C6", "O6", "O4'", "C4'", "H4'", "C5'", "H5'", "H5''", "O5'", "P", "OP1", "OP3", "OP2"],
+			"link_labels": {}
+		},
+		"DG": {
+			"smiles": "[H]C1=NC2=C(N=C(N([H])[H])N([H])C2=O)N1C1([H])OC([H])(C([H])([H])OP(=O)[O-])C([H])(O)C1([H])[H]",
+			"atom_name": ["H8", "C8", "N7", "C5", "C4", "N3", "C2", "N2", "H21", "H22", "N1", "H1", "C6", "O6", "N9", "C1'", "H1'", "O4'", "C4'", "H4'", "C5'", "H5'", "H5''", "O5'", "P", "OP1", "OP2", "C3'", "H3'", "O3'", "C2'", "H2'", "H2''"],
+			"link_labels": {"24": "5-prime", "29": "3-prime"}
+		},
+		"DG3": {
+			"smiles": "[H]OC1([H])C([H])([H])C([H])(N2C([H])=NC3=C2N=C(N([H])[H])N([H])C3=O)OC1([H])C([H])([H])OP(=O)[O-]",
+			"atom_name": ["HO3'", "O3'", "C3'", "H3'", "C2'", "H2'", "H2''", "C1'", "H1'", "N9", "C8", "H8", "N7", "C5", "C4", "N3", "C2", "N2", "H21", "H22", "N1", "H1", "C6", "O6", "O4'", "C4'", "H4'", "C5'", "H5'", "H5''", "O5'", "P", "OP1", "OP2"],
+			"link_labels": {"31": "5-prime"}
+		},
+		"DG5p": {
+			"smiles": "[H]C1=NC2=C(N=C(N([H])[H])N([H])C2=O)N1C1([H])OC([H])(C([H])([H])OP(=O)([O-])[O-])C([H])(O)C1([H])[H]",
+			"atom_name": ["H8", "C8", "N7", "C5", "C4", "N3", "C2", "N2", "H21", "H22", "N1", "H1", "C6", "O6", "N9", "C1'", "H1'", "O4'", "C4'", "H4'", "C5'", "H5'", "H5''", "O5'", "P", "OP1", "OP3", "OP2", "C3'", "H3'", "O3'", "C2'", "H2'", "H2''"],
+			"link_labels": {"30": "3-prime"}
+		},
+		"DGN": {
+			"smiles": "[H]OC([H])([H])C1([H])OC([H])(N2C([H])=NC3=C2N=C(N([H])[H])N([H])C3=O)C([H])([H])C1([H])O[H]",
+			"atom_name": ["HO5'", "O5'", "C5'", "H5'", "H5''", "C4'", "H4'", "O4'", "C1'", "H1'", "N9", "C8", "H8", "N7", "C5", "C4", "N3", "C2", "N2", "H21", "H22", "N1", "H1", "C6", "O6", "C2'", "H2'", "H2''", "C3'", "H3'", "O3'", "HO3'"],
+			"link_labels": {}
+		},
+		"DG5": {
+			"smiles": "[H]OC([H])([H])C1([H])OC([H])(N2C([H])=NC3=C2N=C(N([H])[H])N([H])C3=O)C([H])([H])C1([H])O",
+			"atom_name": ["HO5'", "O5'", "C5'", "H5'", "H5''", "C4'", "H4'", "O4'", "C1'", "H1'", "N9", "C8", "H8", "N7", "C5", "C4", "N3", "C2", "N2", "H21", "H22", "N1", "H1", "C6", "O6", "C2'", "H2'", "H2''", "C3'", "H3'", "O3'"],
+			"link_labels": {"30": "3-prime"}
+		},
 		"ALA": {
     	    "smiles": "C(=O)C([H])(N[H])C([H])([H])[H]",
     	    "atom_name": ["C", "O", "CA", "HA", "N", "H", "CB", "HB1", "HB2", "HB3"],
diff --git a/meeko/linked_rdkit_chorizo.py b/meeko/linked_rdkit_chorizo.py
index a124d249..6e7c3d36 100644
--- a/meeko/linked_rdkit_chorizo.py
+++ b/meeko/linked_rdkit_chorizo.py
@@ -130,10 +130,10 @@ def find_inter_mols_bonds(mols_dict):
         16: 1.05,
         17: 1.02,
         # 19: 2.03,
-        # 20: 1.76,
+        20: 0.00,
         # 24: 1.39,
         25: 0.00,  # hack to avoid bonds with metals
-        # 26: 1.32,
+        26: 0.00,
         30: 0.00,  # hack to avoid bonds with metals
         # 34: 1.20,
         35: 1.20,

From 23f5f62d20f2d6dde5820ac763c3609f97c02d82 Mon Sep 17 00:00:00 2001
From: Amy He <ayhe1768@gmail.com>
Date: Sun, 29 Sep 2024 12:11:16 -0700
Subject: [PATCH 020/166] make indentation consistent by tabs

---
 meeko/data/residue_chem_templates.json | 922 ++++++++++++-------------
 1 file changed, 461 insertions(+), 461 deletions(-)

diff --git a/meeko/data/residue_chem_templates.json b/meeko/data/residue_chem_templates.json
index a882bc9b..4bf134c8 100644
--- a/meeko/data/residue_chem_templates.json
+++ b/meeko/data/residue_chem_templates.json
@@ -1,73 +1,73 @@
 {
-    "ambiguous": {
-        "A": ["A", "A3", "A5p", "A5", "p"],
-        "U": ["U", "U3", "U5p", "U5", "p"],
-        "C": ["C", "C3", "C5p", "C5", "p"],
-        "G": ["G", "G3", "G5p", "G5", "p"],
-        "DA": ["DA", "DA3", "DA5p", "DA5", "p"],
-        "DT": ["DT", "DT3", "DT5p", "DT5", "p"],
-        "DC": ["DC", "DC3", "DC5p", "DC5", "p"],
-        "DG": ["DG", "DG3", "DG5p", "DG5", "p"],
+	"ambiguous": {
+		"A": ["A", "A3", "A5p", "A5", "p"],
+		"U": ["U", "U3", "U5p", "U5", "p"],
+		"C": ["C", "C3", "C5p", "C5", "p"],
+		"G": ["G", "G3", "G5p", "G5", "p"],
+		"DA": ["DA", "DA3", "DA5p", "DA5", "p"],
+		"DT": ["DT", "DT3", "DT5p", "DT5", "p"],
+		"DC": ["DC", "DC3", "DC5p", "DC5", "p"],
+		"DG": ["DG", "DG3", "DG5p", "DG5", "p"],
 		"HIS": ["HIE", "HID", "HIP", "NHIE", "NHID", "NHIP", "CHIE", "CHID", "CHIP"],
-    	"CYS": ["CYS", "CYX", "CYX-", "NCYS", "NCYX", "NCYX-", "CCYS", "CCYX", "CCYX-"],
-    	"CYX": [       "CYX", "CYX-",         "NCYX", "NCYX-",         "CCYX", "CCYX-"],
-    	"CYM": [              "CYX-",                 "NCYX-",                 "CCYX-"],
-    	"ASP": ["ASP", "NASP", "CASP", "ASH", "CASH", "NASH"],
-    	"ASH": ["ASH", "NASH", "CASH"],
-    	"GLU": ["GLU", "NGLU", "CGLU", "GLH", "NGLH", "CGLH"],
-    	"GLH": ["GLH", "NGLH", "CGLH"],
-    	"PHE": ["PHE", "NPHE", "CPHE"],
-    	"GLY": ["GLY", "NGLY", "CGLY"],
-    	"ILE": ["ILE", "NILE", "CILE"],
-    	"LYS": ["LYS", "NLYS", "CLYS", "LYN", "NLYN", "CLYN"],
-    	"LYN": ["LYN", "NLYN", "CLYN"],
-    	"LEU": ["LEU", "NLEU", "CLEU"],
-    	"MET": ["MET", "NMET", "CMET"],
-    	"ASN": ["ASN", "NASN", "CASN"],
-    	"PRO": ["PRO", "NPRO", "CPRO"],
-    	"GLN": ["GLN", "NGLN", "CGLN"],
-    	"ARG": ["ARG", "NARG", "CARG"],
-    	"SER": ["SER", "NSER", "CSER"],
-    	"THR": ["THR", "NTHR", "CTHR"],
-    	"VAL": ["VAL", "NVAL", "CVAL"],
-    	"TRP": ["TRP", "NTRP", "CTRP"],
-    	"TYR": ["TYR", "NTYR", "CTYR"]
-    },
+		"CYS": ["CYS", "CYX", "CYX-", "NCYS", "NCYX", "NCYX-", "CCYS", "CCYX", "CCYX-"],
+		"CYX": [	   "CYX", "CYX-",		 "NCYX", "NCYX-",		 "CCYX", "CCYX-"],
+		"CYM": [			  "CYX-",				 "NCYX-",				 "CCYX-"],
+		"ASP": ["ASP", "NASP", "CASP", "ASH", "CASH", "NASH"],
+		"ASH": ["ASH", "NASH", "CASH"],
+		"GLU": ["GLU", "NGLU", "CGLU", "GLH", "NGLH", "CGLH"],
+		"GLH": ["GLH", "NGLH", "CGLH"],
+		"PHE": ["PHE", "NPHE", "CPHE"],
+		"GLY": ["GLY", "NGLY", "CGLY"],
+		"ILE": ["ILE", "NILE", "CILE"],
+		"LYS": ["LYS", "NLYS", "CLYS", "LYN", "NLYN", "CLYN"],
+		"LYN": ["LYN", "NLYN", "CLYN"],
+		"LEU": ["LEU", "NLEU", "CLEU"],
+		"MET": ["MET", "NMET", "CMET"],
+		"ASN": ["ASN", "NASN", "CASN"],
+		"PRO": ["PRO", "NPRO", "CPRO"],
+		"GLN": ["GLN", "NGLN", "CGLN"],
+		"ARG": ["ARG", "NARG", "CARG"],
+		"SER": ["SER", "NSER", "CSER"],
+		"THR": ["THR", "NTHR", "CTHR"],
+		"VAL": ["VAL", "NVAL", "CVAL"],
+		"TRP": ["TRP", "NTRP", "CTRP"],
+		"TYR": ["TYR", "NTYR", "CTYR"]
+	},
 
-    "padders": {
+	"padders": {
 	"5-prime": {
-	    "rxn_smarts": "[PX4h1:1]>>[P:1][O:11][C:12]",
-	    "adjacent_res_smarts": "[O+0X2h1:11][CX4:12]1CC(n)[OX2]C1"
+		"rxn_smarts": "[PX4h1:1]>>[P:1][O:11][C:12]",
+		"adjacent_res_smarts": "[O+0X2h1:11][CX4:12]1CC(n)[OX2]C1"
 	},
 	"3-prime": {
-	    "rxn_smarts": "[O+0X2h1:1][CX4:2]>>[O:1]([C:2])[P:11]([O-:12])(=[O:13])[O:14][C:15]",
-	    "adjacent_res_smarts": "[PX4h1:11]([O-:12])(=[O:13])[O:14][C:15]"
+		"rxn_smarts": "[O+0X2h1:1][CX4:2]>>[O:1]([C:2])[P:11]([O-:12])(=[O:13])[O:14][C:15]",
+		"adjacent_res_smarts": "[PX4h1:11]([O-:12])(=[O:13])[O:14][C:15]"
 	},
 	"N-term": {
-	    "rxn_smarts": "[C:1](=[O:2])[C:3][N:4]>>[C:1](=[O:2])[C:3][N:4][C:11](=[O:12])[C:13]",
-	    "adjacent_res_smarts": "[C:11](=[O:12])[C:13][N]"
+		"rxn_smarts": "[C:1](=[O:2])[C:3][N:4]>>[C:1](=[O:2])[C:3][N:4][C:11](=[O:12])[C:13]",
+		"adjacent_res_smarts": "[C:11](=[O:12])[C:13][N]"
 	},
 	"C-term": {
-	    "rxn_smarts": "[C:1](=[O:2])[C:3][N:4]>>[C:11][N:12][C:1](=[O:2])[C:3][N:4]",
-	    "adjacent_res_smarts": "[C](=O)[C:11][N:12]"
+		"rxn_smarts": "[C:1](=[O:2])[C:3][N:4]>>[C:11][N:12][C:1](=[O:2])[C:3][N:4]",
+		"adjacent_res_smarts": "[C](=O)[C:11][N:12]"
 	},
 	"dissulfide": {
-	    "rxn_smarts": "[C:1][S:2]>>[C:1][S:2][S:11][C:12]",
-	    "adjacent_res_smarts": "[S:11][C:12]"
+		"rxn_smarts": "[C:1][S:2]>>[C:1][S:2][S:11][C:12]",
+		"adjacent_res_smarts": "[S:11][C:12]"
 	}
-    },
+	},
 
-    "residue_templates": {
-    	"NME": {
-    	    "smiles": "C([H])([H])([H])N[H]",
-    	    "atom_name": ["CH3", "HH31", "HH32", "HH33", "N", "H"],
-    	    "link_labels": {"4": "N-term"}
-    	},
-    	"ACE": {
-    	    "smiles": "C(=O)C([H])([H])[H]",
-    	    "atom_name": ["C", "O", "CH3", "H1", "H2", "H3"],
-    	    "link_labels": {"0": "C-term"}
-    	},
+	"residue_templates": {
+		"NME": {
+			"smiles": "C([H])([H])([H])N[H]",
+			"atom_name": ["CH3", "HH31", "HH32", "HH33", "N", "H"],
+			"link_labels": {"4": "N-term"}
+		},
+		"ACE": {
+			"smiles": "C(=O)C([H])([H])[H]",
+			"atom_name": ["C", "O", "CH3", "H1", "H2", "H3"],
+			"link_labels": {"0": "C-term"}
+		},
 		"F": {
 			"smiles": "[F-]",
 			"atom_name": ["F"],
@@ -364,409 +364,409 @@
 			"link_labels": {"30": "3-prime"}
 		},
 		"ALA": {
-    	    "smiles": "C(=O)C([H])(N[H])C([H])([H])[H]",
-    	    "atom_name": ["C", "O", "CA", "HA", "N", "H", "CB", "HB1", "HB2", "HB3"],
-    	    "link_labels": {"0": "C-term", "4": "N-term"}
-    	},
-    	"CYS": {
-    	    "smiles": "C(=O)C([H])(N[H])C([H])([H])S[H]",
-    	    "atom_name": ["C", "O", "CA", "HA", "N", "H", "CB", "HB2", "HB3", "SG", "HG"],
-    	    "link_labels": {"0": "C-term", "4": "N-term"}
-    	},
-    	"CYX": {
-    	    "smiles": "C(=O)C([H])(N[H])C([H])([H])S",
-    	    "atom_name": ["C", "O", "CA", "HA", "N", "H", "CB", "HB2", "HB3", "SG"],
-    	    "link_labels": {"0": "C-term", "4": "N-term", "9": "dissulfide"}
-    	},
-    	"CYX-": {
-    	    "smiles": "C(=O)C([H])(N[H])C([H])([H])[S-]",
-    	    "atom_name": ["C", "O", "CA", "HA", "N", "H", "CB", "HB2", "HB3", "SG"],
-    	    "link_labels": {"0": "C-term", "4": "N-term"}
-    	},
-    	"ASP": {
-    	    "smiles": "C(=O)C([H])(N[H])C([H])([H])C(=O)[O-]",
-    	    "atom_name": ["C", "O", "CA", "HA", "N", "H", "CB", "HB2", "HB3", "CG", "OD1", "OD2"],
-    	    "link_labels": {"0": "C-term", "4": "N-term"}
-    	},
-    	"ASH": {
-    	    "smiles": "C(=O)C([H])(N[H])C([H])([H])C(=O)O[H]",
-    	    "atom_name": ["C", "O", "CA", "HA", "N", "H", "CB", "HB2", "HB3", "CG", "OD1", "OD2", "HD2"],
-    	    "link_labels": {"0": "C-term", "4": "N-term"}
-    	},
-    	"GLU": {
-    	    "smiles": "C(=O)C([H])(N[H])C([H])([H])C([H])([H])C(=O)[O-]",
-    	    "atom_name": ["C", "O", "CA", "HA", "N", "H", "CB", "HB2", "HB3", "CG", "HG2", "HG3", "CD", "OE1", "OE2"],
-    	    "link_labels": {"0": "C-term", "4": "N-term"}
-    	},
-    	"GLH": {
-    	    "smiles": "C(=O)C([H])(N[H])C([H])([H])C([H])([H])C(=O)O[H]",
-    	    "atom_name": ["C", "O", "CA", "HA", "N", "H", "CB", "HB2", "HB3", "CG", "HG2", "HG3", "CD", "OE1", "OE2", "HE2"],
-    	    "link_labels": {"0": "C-term", "4": "N-term"}
-    	},
-    	"PHE": {
-    	    "smiles": "C(=O)C([H])(N[H])C([H])([H])c1c([H])c([H])c([H])c([H])c1[H]",
-    	    "atom_name": ["C", "O", "CA", "HA", "N", "H", "CB", "HB2", "HB3", "CG", "CD1", "HD1", "CE1", "HE1", "CZ", "HZ", "CE2", "HE2", "CD2", "HD2"],
-    	    "link_labels": {"0": "C-term", "4": "N-term"}
-    	},
-    	"GLY": {
-    	    "smiles": "C(=O)C([H])(N[H])[H]",
-    	    "atom_name": ["C", "O", "CA", "HA2", "N", "H", "HA3"],
-    	    "link_labels": {"0": "C-term", "4": "N-term"}
-    	},
-    	"HIE": {
-    	    "smiles": "C(=O)C([H])(N[H])C([H])([H])c1nc([H])n([H])c1[H]",
-    	    "atom_name": ["C", "O", "CA", "HA", "N", "H", "CB", "HB2", "HB3", "CG", "ND1", "CE1", "HE1", "NE2", "HE2", "CD2", "HD2"],
-    	    "link_labels": {"0": "C-term", "4": "N-term"}
-    	},
-    	"HID": {
-    	    "smiles": "C(=O)C([H])(N[H])C([H])([H])c1n([H])c([H])nc1[H]",
-    	    "atom_name": ["C", "O", "CA", "HA", "N", "H", "CB", "HB2", "HB3", "CG", "ND1", "HD1", "CE1", "HE1", "NE2", "CD2", "HD2"],
-    	    "link_labels": {"0": "C-term", "4": "N-term"}
-    	},
-    	"HIP": {
-    	    "smiles": "C(=O)C([H])(N[H])C([H])([H])c1n([H])c([H])[n+]([H])c1[H]",
-    	    "atom_name": ["C", "O", "CA", "HA", "N", "H", "CB", "HB2", "HB3", "CG", "ND1", "HD1", "CE1", "HE1", "NE2", "HE2", "CD2", "HD2"],
-    	    "link_labels": {"0": "C-term", "4": "N-term"}
-    	},
-    	"ILE": {
-    	    "smiles": "C(=O)C([H])(N[H])C([H])(C([H])([H])[H])C([H])([H])C([H])([H])[H]",
-    	    "atom_name": ["C", "O", "CA", "HA", "N", "H", "CB", "HB", "CG2", "HG21", "HG22", "HG23", "CG1", "HG12", "HG13", "CD1", "HD11", "HD12", "HD13"],
-    	    "link_labels": {"0": "C-term", "4": "N-term"}
-    	},
-    	"LYS": {
-    	    "smiles": "C(=O)C([H])(N[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[N+]([H])([H])[H]",
-    	    "atom_name": ["C", "O", "CA", "HA", "N", "H", "CB", "HB3", "HB2", "CG", "HG2", "HG3", "CD", "HD2", "HD3", "CE", "HE2", "HE3", "NZ", "HZ1", "HZ2", "HZ3"],
-    	    "link_labels": {"0": "C-term", "4": "N-term"}
-    	},
-    	"LYN": {
-    	    "smiles": "C(=O)C([H])(N[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])N([H])[H]",
-    	    "atom_name": ["C", "O", "CA", "HA", "N", "H", "CB", "HB3", "HB2", "CG", "HG2", "HG3", "CD", "HD2", "HD3", "CE", "HE2", "HE3", "NZ", "HZ2", "HZ3"],
-    	    "link_labels": {"0": "C-term", "4": "N-term"}
-    	},
-    	"LEU": {
-    	    "smiles": "C(=O)C([H])(N[H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H]",
-    	    "atom_name": ["C", "O", "CA", "HA", "N", "H", "CB", "HB2", "HB3", "CG", "HG", "CD1", "HD11", "HD12", "HD13", "CD2", "HD21", "HD22", "HD23"],
-    	    "link_labels": {"0": "C-term", "4": "N-term"}
-    	},
-    	"MET": {
-    	    "smiles": "C(=O)C([H])(N[H])C([H])([H])C([H])([H])SC([H])([H])[H]",
-    	    "atom_name": ["C", "O", "CA", "HA", "N", "H", "CB", "HB3", "HB2", "CG", "HG2", "HG3", "SD", "CE", "HE1", "HE2", "HE3"],
-    	    "link_labels": {"0": "C-term", "4": "N-term"}
-    	},
-    	"ASN": {
-    	    "smiles": "C(=O)C([H])(N[H])C([H])([H])C(=O)N([H])[H]",
-    	    "atom_name": ["C", "O", "CA", "HA", "N", "H", "CB", "HB2", "HB3", "CG", "OD1", "ND2", "HD22", "HD21"],
-    	    "link_labels": {"0": "C-term", "4": "N-term"}
-    	},
-    	"PRO": {
-    	    "smiles": "C(=O)C([H])(N1)C([H])([H])C([H])([H])C1([H])[H]",
-    	    "atom_name": ["C", "O", "CA", "HA", "N", "CB", "HB3", "HB2", "CG", "HG2", "HG3", "CD", "HD2", "HD3"],
-    	    "link_labels": {"0": "C-term", "4": "N-term"}
-    	},
-    	"GLN": {
-    	    "smiles": "C(=O)C([H])(N[H])C([H])([H])C([H])([H])C(=O)N([H])[H]",
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+			"link_labels": {"0": "C-term", "4": "N-term"}
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+			"link_labels": {"0": "C-term", "4": "N-term"}
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+			"link_labels": {"0": "C-term", "4": "N-term"}
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+			"atom_name": ["C", "O", "CA", "HA", "N", "H1", "H2", "H3", "CB", "HB1", "HB2", "HB3"],
+			"link_labels": {"0": "C-term"}
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+			"smiles": "C(=O)C([H])([N+]([H])([H])[H])C([H])([H])S[H]",
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+			"link_labels": {"0": "C-term"}
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+			"smiles": "C(=O)C([H])([N+]([H])([H])[H])C([H])([H])S",
+			"atom_name": ["C", "O", "CA", "HA", "N", "H1", "H2", "H3", "CB", "HB2", "HB3", "SG"],
+			"link_labels": {"0": "C-term", "11": "dissulfide"}
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+			"atom_name": ["C", "O", "CA", "HA", "N", "H1", "H2", "H3", "CB", "HB2", "HB3", "SG"],
+			"link_labels": {"0": "C-term"}
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+			"atom_name": ["C", "O", "CA", "HA", "N", "H1", "H2", "H3", "CB", "HB2", "HB3", "CG", "OD1", "OD2"],
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+			"link_labels": {"0": "C-term"}
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+			"link_labels": {"0": "C-term"}
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+			"atom_name": ["C", "O", "CA", "HA2", "N", "H1", "H2", "H3", "HA3"],
+			"link_labels": {"0": "C-term"}
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+			"link_labels": {"0": "C-term"}
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+			"smiles": "C(=O)C([H])([N+]([H])([H])[H])C([H])([H])c1n([H])c([H])nc1[H]",
+			"atom_name": ["C", "O", "CA", "HA", "N", "H1", "H2", "H3", "CB", "HB2", "HB3", "CG", "ND1", "HD1", "CE1", "HE1", "NE2", "CD2", "HD2"],
+			"link_labels": {"0": "C-term"}
+		},
+		"NHIP": {
+			"smiles": "C(=O)C([H])([N+]([H])([H])[H])C([H])([H])c1n([H])c([H])[n+]([H])c1[H]",
+			"atom_name": ["C", "O", "CA", "HA", "N", "H1", "H2", "H3", "CB", "HB2", "HB3", "CG", "ND1", "HD1", "CE1", "HE1", "NE2", "HE2", "CD2", "HD2"],
+			"link_labels": {"0": "C-term"}
+		},
+		"NILE": {
+			"smiles": "C(=O)C([H])([N+]([H])([H])[H])C([H])(C([H])([H])[H])C([H])([H])C([H])([H])[H]",
+			"atom_name": ["C", "O", "CA", "HA", "N", "H1", "H2", "H3", "CB", "HB", "CG2", "HG21", "HG22", "HG23", "CG1", "HG12", "HG13", "CD1", "HD11", "HD12", "HD13"],
+			"link_labels": {"0": "C-term"}
+		},
+		"NLYS": {
+			"smiles": "C(=O)C([H])([N+]([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[N+]([H])([H])[H]",
+			"atom_name": ["C", "O", "CA", "HA", "N", "H1", "H2", "H3", "CB", "HB3", "HB2", "CG", "HG2", "HG3", "CD", "HD2", "HD3", "CE", "HE2", "HE3", "NZ", "HZ1", "HZ2", "HZ3"],
+			"link_labels": {"0": "C-term"}
+		},
+		"NLYN": {
+			"smiles": "C(=O)C([H])([N+]([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])N([H])[H]",
+			"atom_name": ["C", "O", "CA", "HA", "N", "H1", "H2", "H3", "CB", "HB3", "HB2", "CG", "HG2", "HG3", "CD", "HD2", "HD3", "CE", "HE2", "HE3", "NZ", "HZ2", "HZ3"],
+			"link_labels": {"0": "C-term"}
+		},
+		"NLEU": {
+			"smiles": "C(=O)C([H])([N+]([H])([H])[H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H]",
+			"atom_name": ["C", "O", "CA", "HA", "N", "H1", "H2", "H3", "CB", "HB2", "HB3", "CG", "HG", "CD1", "HD11", "HD12", "HD13", "CD2", "HD21", "HD22", "HD23"],
+			"link_labels": {"0": "C-term"}
+		},
+		"NMET": {
+			"smiles": "C(=O)C([H])([N+]([H])([H])[H])C([H])([H])C([H])([H])SC([H])([H])[H]",
+			"atom_name": ["C", "O", "CA", "HA", "N", "H1", "H2", "H3", "CB", "HB3", "HB2", "CG", "HG2", "HG3", "SD", "CE", "HE1", "HE2", "HE3"],
+			"link_labels": {"0": "C-term"}
+		},
+		"NASN": {
+			"smiles": "C(=O)C([H])([N+]([H])([H])[H])C([H])([H])C(=O)N([H])[H]",
+			"atom_name": ["C", "O", "CA", "HA", "N", "H1", "H2", "H3", "CB", "HB2", "HB3", "CG", "OD1", "ND2", "HD22", "HD21"],
+			"link_labels": {"0": "C-term"}
+		},
+		"NGLN": {
+			"smiles": "C(=O)C([H])([N+]([H])([H])[H])C([H])([H])C([H])([H])C(=O)N([H])[H]",
+			"atom_name": ["C", "O", "CA", "HA", "N", "H1", "H2", "H3", "CB", "HB2", "HB3", "CG", "HG2", "HG3", "CD", "OE1", "NE2", "HE22", "HE21"],
+			"link_labels": {"0": "C-term"}
+		},
+		"NARG": {
+			"smiles": "C(=O)C([H])([N+]([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])N([H])C(=[N+]([H])[H])N([H])[H]",
+			"atom_name": ["C", "O", "CA", "HA", "N", "H1", "H2", "H3", "CB", "HB3", "HB2", "CG", "HG2", "HG3", "CD", "HD2", "HD3", "NE", "HE", "CZ", "NH1", "HH12", "HH11", "NH2", "HH22", "HH21"],
+			"link_labels": {"0": "C-term"}
+		},
+		"NSER": {
+			"smiles": "C(=O)C([H])([N+]([H])([H])[H])C([H])([H])O[H]",
+			"atom_name": ["C", "O", "CA", "HA", "N", "H1", "H2", "H3", "CB", "HB2", "HB3", "OG", "HG"],
+			"link_labels": {"0": "C-term"}
+		},
+		"NTHR": {
+			"smiles": "C(=O)C([H])([N+]([H])([H])[H])C([H])(C([H])([H])[H])O[H]",
+			"atom_name": ["C", "O", "CA", "HA", "N", "H1", "H2", "H3", "CB", "HB", "CG2", "HG21", "HG22", "HG23", "OG1", "HG1"],
+			"link_labels": {"0": "C-term"}
+		},
+		"NVAL": {
+			"smiles": "C(=O)C([H])([N+]([H])([H])[H])C([H])(C([H])([H])[H])C([H])([H])[H]",
+			"atom_name": ["C", "O", "CA", "HA", "N", "H1", "H2", "H3", "CB", "HB", "CG1", "HG11", "HG12", "HG13", "CG2", "HG21", "HG22", "HG23"],
+			"link_labels": {"0": "C-term"}
+		},
+		"NTRP": {
+			"smiles": "C(=O)C([H])([N+]([H])([H])[H])C([H])([H])c1c([H])n([H])c2c1c([H])c([H])c([H])c2[H]",
+			"atom_name": ["C", "O", "CA", "HA", "N", "H1", "H2", "H3", "CB", "HB2", "HB3", "CG", "CD1", "HD1", "NE1", "HE1", "CE2", "CD2", "CE3", "HE3", "CZ3", "HZ3", "CH2", "HH2", "CZ2", "HZ2"],
+			"link_labels": {"0": "C-term"}
+		},
+		"NTYR": {
+			"smiles": "C(=O)C([H])([N+]([H])([H])[H])C([H])([H])c1c([H])c([H])c(O[H])c([H])c1[H]",
+			"atom_name": ["C", "O", "CA", "HA", "N", "H1", "H2", "H3", "CB", "HB2", "HB3", "CG", "CD1", "HD1", "CE1", "HE1", "CZ", "OH", "HH", "CE2", "HE2", "CD2", "HD2"],
+			"link_labels": {"0": "C-term"}
+		},
+		"CALA": {
+			"smiles": "[O-]C(=O)C([H])(N[H])C([H])([H])[H]",
+			"atom_name": ["OXT", "C", "O", "CA", "HA", "N", "H", "CB", "HB1", "HB2", "HB3"],
+			"link_labels": {"5": "N-term"}
+		},
+		"CCYS": {
+			"smiles": "[O-]C(=O)C([H])(N[H])C([H])([H])S[H]",
+			"atom_name": ["OXT", "C", "O", "CA", "HA", "N", "H", "CB", "HB2", "HB3", "SG", "HG"],
+			"link_labels": {"5": "N-term"}
+		},
+		"CCYX": {
+			"smiles": "[O-]C(=O)C([H])(N[H])C([H])([H])S",
+			"atom_name": ["OXT", "C", "O", "CA", "HA", "N", "H", "CB", "HB2", "HB3", "SG"],
+			"link_labels": {"5": "N-term", "10": "dissulfide"}
+		},
+		"CCYX-": {
+			"smiles": "[O-]C(=O)C([H])(N[H])C([H])([H])[S-]",
+			"atom_name": ["OXT", "C", "O", "CA", "HA", "N", "H", "CB", "HB2", "HB3", "SG"],
+			"link_labels": {"5": "N-term"}
+		},
+		"CASP": {
+			"smiles": "[O-]C(=O)C([H])(N[H])C([H])([H])C(=O)[O-]",
+			"atom_name": ["OXT", "C", "O", "CA", "HA", "N", "H", "CB", "HB2", "HB3", "CG", "OD1", "OD2"],
+			"link_labels": {"5": "N-term"}
+		},
+		"CASH": {
+			"smiles": "[O-]C(=O)C([H])(N[H])C([H])([H])C(=O)O[H]",
+			"atom_name": ["OXT", "C", "O", "CA", "HA", "N", "H", "CB", "HB2", "HB3", "CG", "OD1", "OD2", "HD2"],
+			"link_labels": {"5": "N-term"}
+		},
+		"CGLU": {
+			"smiles": "[O-]C(=O)C([H])(N[H])C([H])([H])C([H])([H])C(=O)[O-]",
+			"atom_name": ["OXT", "C", "O", "CA", "HA", "N", "H", "CB", "HB2", "HB3", "CG", "HG2", "HG3", "CD", "OE1", "OE2"],
+			"link_labels": {"5": "N-term"}
+		},
+		"CGLH": {
+			"smiles": "[O-]C(=O)C([H])(N[H])C([H])([H])C([H])([H])C(=O)O[H]",
+			"atom_name": ["OXT", "C", "O", "CA", "HA", "N", "H", "CB", "HB2", "HB3", "CG", "HG2", "HG3", "CD", "OE1", "OE2", "HE2"],
+			"link_labels": {"5": "N-term"}
+		},
+		"CPHE": {
+			"smiles": "[O-]C(=O)C([H])(N[H])C([H])([H])c1c([H])c([H])c([H])c([H])c1[H]",
+			"atom_name": ["OXT", "C", "O", "CA", "HA", "N", "H", "CB", "HB2", "HB3", "CG", "CD1", "HD1", "CE1", "HE1", "CZ", "HZ", "CE2", "HE2", "CD2", "HD2"],
+			"link_labels": {"5": "N-term"}
+		},
+		"CGLY": {
+			"smiles": "[O-]C(=O)C([H])(N[H])[H]",
+			"atom_name": ["OXT", "C", "O", "CA", "HA2", "N", "H", "HA3"],
+			"link_labels": {"5": "N-term"}
+		},
+		"CHIE": {
+			"smiles": "[O-]C(=O)C([H])(N[H])C([H])([H])c1nc([H])n([H])c1[H]",
+			"atom_name": ["OXT", "C", "O", "CA", "HA", "N", "H", "CB", "HB2", "HB3", "CG", "ND1", "CE1", "HE1", "NE2", "HE2", "CD2", "HD2"],
+			"link_labels": {"5": "N-term"}
+		},
+		"CHID": {
+			"smiles": "[O-]C(=O)C([H])(N[H])C([H])([H])c1n([H])c([H])nc1[H]",
+			"atom_name": ["OXT", "C", "O", "CA", "HA", "N", "H", "CB", "HB2", "HB3", "CG", "ND1", "HD1", "CE1", "HE1", "NE2", "CD2", "HD2"],
+			"link_labels": {"5": "N-term"}
+		},
+		"CHIP": {
+			"smiles": "[O-]C(=O)C([H])(N[H])C([H])([H])c1n([H])c([H])[n+]([H])c1[H]",
+			"atom_name": ["OXT", "C", "O", "CA", "HA", "N", "H", "CB", "HB2", "HB3", "CG", "ND1", "HD1", "CE1", "HE1", "NE2", "HE2", "CD2", "HD2"],
+			"link_labels": {"5": "N-term"}
+		},
+		"CILE": {
+			"smiles": "[O-]C(=O)C([H])(N[H])C([H])(C([H])([H])[H])C([H])([H])C([H])([H])[H]",
+			"atom_name": ["OXT", "C", "O", "CA", "HA", "N", "H", "CB", "HB", "CG2", "HG21", "HG22", "HG23", "CG1", "HG12", "HG13", "CD1", "HD11", "HD12", "HD13"],
+			"link_labels": {"5": "N-term"}
+		},
+		"CLYS": {
+			"smiles": "[O-]C(=O)C([H])(N[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[N+]([H])([H])[H]",
+			"atom_name": ["OXT", "C", "O", "CA", "HA", "N", "H", "CB", "HB3", "HB2", "CG", "HG2", "HG3", "CD", "HD2", "HD3", "CE", "HE2", "HE3", "NZ", "HZ1", "HZ2", "HZ3"],
+			"link_labels": {"5": "N-term"}
+		},
+		"CLYN": {
+			"smiles": "[O-]C(=O)C([H])(N[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])N([H])[H]",
+			"atom_name": ["OXT", "C", "O", "CA", "HA", "N", "H", "CB", "HB3", "HB2", "CG", "HG2", "HG3", "CD", "HD2", "HD3", "CE", "HE2", "HE3", "NZ", "HZ2", "HZ3"],
+			"link_labels": {"5": "N-term"}
+		},
+		"CLEU": {
+			"smiles": "[O-]C(=O)C([H])(N[H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H]",
+			"atom_name": ["OXT", "C", "O", "CA", "HA", "N", "H", "CB", "HB2", "HB3", "CG", "HG", "CD1", "HD11", "HD12", "HD13", "CD2", "HD21", "HD22", "HD23"],
+			"link_labels": {"5": "N-term"}
+		},
+		"CMET": {
+			"smiles": "[O-]C(=O)C([H])(N[H])C([H])([H])C([H])([H])SC([H])([H])[H]",
+			"atom_name": ["OXT", "C", "O", "CA", "HA", "N", "H", "CB", "HB3", "HB2", "CG", "HG2", "HG3", "SD", "CE", "HE1", "HE2", "HE3"],
+			"link_labels": {"5": "N-term"}
+		},
+		"CASN": {
+			"smiles": "[O-]C(=O)C([H])(N[H])C([H])([H])C(=O)N([H])[H]",
+			"atom_name": ["OXT", "C", "O", "CA", "HA", "N", "H", "CB", "HB2", "HB3", "CG", "OD1", "ND2", "HD22", "HD21"],
+			"link_labels": {"5": "N-term"}
+		},
+		"CGLN": {
+			"smiles": "[O-]C(=O)C([H])(N[H])C([H])([H])C([H])([H])C(=O)N([H])[H]",
+			"atom_name": ["OXT", "C", "O", "CA", "HA", "N", "H", "CB", "HB2", "HB3", "CG", "HG2", "HG3", "CD", "OE1", "NE2", "HE22", "HE21"],
+			"link_labels": {"5": "N-term"}
+		},
+		"CARG": {
+			"smiles": "[O-]C(=O)C([H])(N[H])C([H])([H])C([H])([H])C([H])([H])N([H])C(=[N+]([H])[H])N([H])[H]",
+			"atom_name": ["OXT", "C", "O", "CA", "HA", "N", "H", "CB", "HB3", "HB2", "CG", "HG2", "HG3", "CD", "HD2", "HD3", "NE", "HE", "CZ", "NH1", "HH12", "HH11", "NH2", "HH22", "HH21"],
+			"link_labels": {"5": "N-term"}
+		},
+		"CSER": {
+			"smiles": "[O-]C(=O)C([H])(N[H])C([H])([H])O[H]",
+			"atom_name": ["OXT", "C", "O", "CA", "HA", "N", "H", "CB", "HB2", "HB3", "OG", "HG"],
+			"link_labels": {"5": "N-term"}
+		},
+		"CTHR": {
+			"smiles": "[O-]C(=O)C([H])(N[H])C([H])(C([H])([H])[H])O[H]",
+			"atom_name": ["OXT", "C", "O", "CA", "HA", "N", "H", "CB", "HB", "CG2", "HG21", "HG22", "HG23", "OG1", "HG1"],
+			"link_labels": {"5": "N-term"}
+		},
+		"CVAL": {
+			"smiles": "[O-]C(=O)C([H])(N[H])C([H])(C([H])([H])[H])C([H])([H])[H]",
+			"atom_name": ["OXT", "C", "O", "CA", "HA", "N", "H", "CB", "HB", "CG1", "HG11", "HG12", "HG13", "CG2", "HG21", "HG22", "HG23"],
+			"link_labels": {"5": "N-term"}
+		},
+		"CTRP": {
+			"smiles": "[O-]C(=O)C([H])(N[H])C([H])([H])c1c([H])n([H])c2c1c([H])c([H])c([H])c2[H]",
+			"atom_name": ["OXT", "C", "O", "CA", "HA", "N", "H", "CB", "HB2", "HB3", "CG", "CD1", "HD1", "NE1", "HE1", "CE2", "CD2", "CE3", "HE3", "CZ3", "HZ3", "CH2", "HH2", "CZ2", "HZ2"],
+			"link_labels": {"5": "N-term"}
+		},
+		"CTYR": {
+			"smiles": "[O-]C(=O)C([H])(N[H])C([H])([H])c1c([H])c([H])c(O[H])c([H])c1[H]",
+			"atom_name": ["OXT", "C", "O", "CA", "HA", "N", "H", "CB", "HB2", "HB3", "CG", "CD1", "HD1", "CE1", "HE1", "CZ", "OH", "HH", "CE2", "HE2", "CD2", "HD2"],
+			"link_labels": {"5": "N-term"}
+		},
+		"CPRO": {
+			"smiles": "[O-]C(=O)C([H])(N1)C([H])([H])C([H])([H])C1([H])[H]",
+			"atom_name": ["OXT", "C", "O", "CA", "HA", "N", "CB", "HB3", "HB2", "CG", "HG2", "HG3", "CD", "HD2", "HD3"],
+			"link_labels": {"5": "N-term"}
+		}
+	}
 }

From 506e683dd1fd6f60ed887eebaa22a361fca37723 Mon Sep 17 00:00:00 2001
From: Amy He <ayhe1768@gmail.com>
Date: Sun, 29 Sep 2024 12:13:38 -0700
Subject: [PATCH 021/166] make CYS pretty

---
 meeko/data/residue_chem_templates.json | 4 ++--
 1 file changed, 2 insertions(+), 2 deletions(-)

diff --git a/meeko/data/residue_chem_templates.json b/meeko/data/residue_chem_templates.json
index 4bf134c8..5b844027 100644
--- a/meeko/data/residue_chem_templates.json
+++ b/meeko/data/residue_chem_templates.json
@@ -10,8 +10,8 @@
 		"DG": ["DG", "DG3", "DG5p", "DG5", "p"],
 		"HIS": ["HIE", "HID", "HIP", "NHIE", "NHID", "NHIP", "CHIE", "CHID", "CHIP"],
 		"CYS": ["CYS", "CYX", "CYX-", "NCYS", "NCYX", "NCYX-", "CCYS", "CCYX", "CCYX-"],
-		"CYX": [	   "CYX", "CYX-",		 "NCYX", "NCYX-",		 "CCYX", "CCYX-"],
-		"CYM": [			  "CYX-",				 "NCYX-",				 "CCYX-"],
+		"CYX": [       "CYX", "CYX-",         "NCYX", "NCYX-",         "CCYX", "CCYX-"],
+		"CYM": [              "CYX-",                 "NCYX-",                 "CCYX-"],
 		"ASP": ["ASP", "NASP", "CASP", "ASH", "CASH", "NASH"],
 		"ASH": ["ASH", "NASH", "CASH"],
 		"GLU": ["GLU", "NGLU", "CGLU", "GLH", "NGLH", "CGLH"],

From 4fe1f90128f151845c282ff9ffc15f997e0a1220 Mon Sep 17 00:00:00 2001
From: Amy He <ayhe1768@gmail.com>
Date: Sun, 29 Sep 2024 12:50:39 -0700
Subject: [PATCH 022/166] typo

---
 meeko/data/residue_chem_templates.json | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/meeko/data/residue_chem_templates.json b/meeko/data/residue_chem_templates.json
index 5b844027..30dbc35c 100644
--- a/meeko/data/residue_chem_templates.json
+++ b/meeko/data/residue_chem_templates.json
@@ -86,7 +86,7 @@
 		"CA": {
 			"smiles": "[Ca+2]",
 			"atom_name": ["CA"],
-			"link_labels": {},
+			"link_labels": {}
 		},
 		"MN": {
 			"smiles": "[Mn+2]",

From 700396c338c7ae8432fe15cbc5e490cbf7ba26a9 Mon Sep 17 00:00:00 2001
From: Amy He <ayhe1768@gmail.com>
Date: Sun, 29 Sep 2024 12:58:50 -0700
Subject: [PATCH 023/166] typo 2

---
 meeko/data/residue_chem_templates.json | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/meeko/data/residue_chem_templates.json b/meeko/data/residue_chem_templates.json
index 30dbc35c..d5c383a7 100644
--- a/meeko/data/residue_chem_templates.json
+++ b/meeko/data/residue_chem_templates.json
@@ -121,7 +121,7 @@
 		"p": {
 			"smiles": "P(=O)([O-])[O-]",
 			"atom_name": [ "P", "OP1", "OP2", "OP3"],
-			"link_labels": {"0": "3-prime"}
+			"link_labels": {"0": "5-prime"}
 		},
 		"A_": {
 			"smiles": "[H]OC1([H])C([H])(N2C([H])=NC3=C2N=C([H])N=C3N([H])[H])OC([H])(C([H])([H])OP(=O)([O-])[O-])C1([H])O[H]",

From 6c807532933c0394c2338bc52ce3cf5a73f82cfe Mon Sep 17 00:00:00 2001
From: Amy He <ayhe1768@gmail.com>
Date: Sun, 29 Sep 2024 15:14:58 -0700
Subject: [PATCH 024/166] drop capping phosphate from ambiguous

---
 meeko/data/residue_chem_templates.json | 16 ++++++++--------
 1 file changed, 8 insertions(+), 8 deletions(-)

diff --git a/meeko/data/residue_chem_templates.json b/meeko/data/residue_chem_templates.json
index d5c383a7..52e475eb 100644
--- a/meeko/data/residue_chem_templates.json
+++ b/meeko/data/residue_chem_templates.json
@@ -1,13 +1,13 @@
 {
 	"ambiguous": {
-		"A": ["A", "A3", "A5p", "A5", "p"],
-		"U": ["U", "U3", "U5p", "U5", "p"],
-		"C": ["C", "C3", "C5p", "C5", "p"],
-		"G": ["G", "G3", "G5p", "G5", "p"],
-		"DA": ["DA", "DA3", "DA5p", "DA5", "p"],
-		"DT": ["DT", "DT3", "DT5p", "DT5", "p"],
-		"DC": ["DC", "DC3", "DC5p", "DC5", "p"],
-		"DG": ["DG", "DG3", "DG5p", "DG5", "p"],
+		"A": ["A", "A3", "A5p", "A5"],
+		"U": ["U", "U3", "U5p", "U5"],
+		"C": ["C", "C3", "C5p", "C5"],
+		"G": ["G", "G3", "G5p", "G5"],
+		"DA": ["DA", "DA3", "DA5p", "DA5"],
+		"DT": ["DT", "DT3", "DT5p", "DT5"],
+		"DC": ["DC", "DC3", "DC5p", "DC5"],
+		"DG": ["DG", "DG3", "DG5p", "DG5"],
 		"HIS": ["HIE", "HID", "HIP", "NHIE", "NHID", "NHIP", "CHIE", "CHID", "CHIP"],
 		"CYS": ["CYS", "CYX", "CYX-", "NCYS", "NCYX", "NCYX-", "CCYS", "CCYX", "CCYX-"],
 		"CYX": [       "CYX", "CYX-",         "NCYX", "NCYX-",         "CCYX", "CCYX-"],

From 00843e5931a8eb384d0bbbb67ac3cd8aed4ea543 Mon Sep 17 00:00:00 2001
From: diogom <diogom@scripps.edu>
Date: Tue, 1 Oct 2024 09:47:17 -0700
Subject: [PATCH 025/166] fix delete_residues in chorizo (polymer) and
 mk_prepare_receptor

The list of residue IDs to delete is no longer passed to the init
of the chorizo object. Instead, it lives only on the constructors
from_prody and from_pdb_string. Then, the raw molecules passed to
the init of the chorizo no longer contains deleted residues.
In mk_prepare_receptor, deleted_residues are specified using the
same syntax as flexres.
---
 meeko/linked_rdkit_chorizo.py              | 104 +++++++--------------
 scripts/mk_prepare_receptor.py             |  29 +-----
 test/json_serialization_test.py            |   1 -
 test/linked_rdkit_chorizo_creation_test.py |   5 -
 4 files changed, 34 insertions(+), 105 deletions(-)

diff --git a/meeko/linked_rdkit_chorizo.py b/meeko/linked_rdkit_chorizo.py
index ffce80a1..7a27e5db 100644
--- a/meeko/linked_rdkit_chorizo.py
+++ b/meeko/linked_rdkit_chorizo.py
@@ -474,6 +474,34 @@ def update_H_positions(mol: Chem.Mol, indices_to_update: list[int]) -> None:
 
     return
 
+def _delete_residues(res_to_delete, raw_input_mols):
+    """
+
+    Parameters
+    ----------
+    res_to_delete: list (str)
+        residue IDs to delete in format <chain>:<resnum><icode>
+    raw_input_mols: dict (str -> RDKit mol)
+        keys are residue IDs
+
+    Returns
+    -------
+    None
+    (modifies raw_input_mols in-place)
+
+    """
+    missing = set()
+    for res in res_to_delete:
+        if res not in raw_input_mols:
+            missing.add(res)
+        raw_input_mols.pop(res)
+    if len(missing) > 0:
+        msg = "can't find the following residues to delete: " + " ".join(missing)
+        raise ValueError(msg)
+    return
+
+
+
 
 class ResidueChemTemplates:
     """Holds template data required to initialize LinkedRDKitChorizo
@@ -584,7 +612,6 @@ class LinkedRDKitChorizo:
     ----------
     residues: dict (string -> ChorizoResidue) #TODO: figure out exact SciPy standard for dictionary key/value notation
     termini: dict (string (representing residue id) -> string (representing what we want the capping to look like))
-    deleted_residues: list (string) residue ids to be deleted
     mutate_res_dict: dict (string (representing starting residue id) -> string (representing the desired mutated id))
     res_templates: dict (string -> dict (rdkit_mol and atom_data))
     ambiguous:
@@ -599,7 +626,6 @@ def __init__(
         residue_chem_templates: ResidueChemTemplates,
         mk_prep=None,
         set_template: dict[str, str] = None,
-        residues_to_delete: list[str] = None,
         blunt_ends: list[tuple[str, int]] = None,
     ):
         """
@@ -617,8 +643,6 @@ def __init__(
             An instance of the MoleculePreparation class to parameterize the padded molecules.
         set_template: dict (string -> string)
             A dict mapping residue IDs in the format <chain>:<resnum> such as "A:42" to ResidueTemplate instances.
-        residues_to_delete: list (string)
-            List of residue IDs (e.g.; "A:42") to mark as ignored
         blunt_ends: list (tuple (string, int))
             A list of tuples where each tuple is residue IDs and 0-based atom index, e.g.; ("A:42", 0)
 
@@ -632,7 +656,6 @@ def __init__(
         """
 
         # TODO simplify SMARTS for adjacent res in padders
-        # TODO deleted residues up from init into classmethod constructors
 
         if type(raw_input_mols) != dict:
             msg = f"expected raw_input_mols to be dict, got {type(raw_input_mols)}"
@@ -679,11 +702,6 @@ def __init__(
             blunt_ends,
         )
 
-        # TODO integrate with mk_prepare_receptor.py (former suggested_mutations)
-        if residues_to_delete is None:
-            residues_to_delete = ()  # self._delete_residues expects an iterator
-        self._delete_residues(residues_to_delete, self.residues)
-
         _bonds = {}
         for key, bond in bonds.items():
             res1 = self.residues[key[0]]
@@ -738,6 +756,7 @@ def from_pdb_string(
         """
 
         raw_input_mols = cls._pdb_to_residue_mols(pdb_string)
+        _delete_residues(residues_to_delete, raw_input_mols)
         bonds = find_inter_mols_bonds(raw_input_mols)
         if bonds_to_delete is not None:
             for res1, res2 in bonds_to_delete:
@@ -751,7 +770,6 @@ def from_pdb_string(
             chem_templates,
             mk_prep,
             set_template,
-            residues_to_delete,
             blunt_ends,
         )
         if not allow_bad_res and len(chorizo.get_ignored_residues()):
@@ -788,6 +806,7 @@ def from_prody(
 
         """
         raw_input_mols = cls._prody_to_residue_mols(prody_obj)
+        _delete_residues(residues_to_delete, raw_input_mols)
         bonds = find_inter_mols_bonds(raw_input_mols)
         if bonds_to_delete is not None:
             for res1, res2 in bonds_to_delete:
@@ -801,7 +820,6 @@ def from_prody(
             chem_templates,
             mk_prep,
             set_template,
-            residues_to_delete,
             blunt_ends,
         )
         if not allow_bad_res and len(chorizo.get_ignored_residues()):
@@ -1300,31 +1318,6 @@ def _build_padded_mols(residues, bonds, padders):
             raise RuntimeError(err_msg)
         return padded_mols
 
-    @staticmethod
-    def _delete_residues(query_res, residues):
-        """
-
-        Parameters
-        ----------
-        query_res
-        residues
-
-        Returns
-        -------
-
-        """
-        missing = set()
-        for res in query_res:
-            if res not in residues:
-                missing.add(res)
-            elif residues[
-                res
-            ]:  # is not None: # expecting None if templates didn't match
-                residues[res].user_deleted = True
-        if len(missing) > 0:
-            msg = "can't find the following residues to delete: " + " ".join(missing)
-            raise ValueError(msg)
-
     def flexibilize_sidechain(self, residue_id, mk_prep):
         """
 
@@ -1527,12 +1520,7 @@ def to_pdb(self, use_modified_coords: bool = False, modified_coords_index: int =
         atom_count = 0
         pdb_line = "{:6s}{:5d} {:^4s} {:3s} {:1s}{:4d}{:1s}   {:8.3f}{:8.3f}{:8.3f}                       {:2s} "
         pdb_line += pathlib.os.linesep
-        for res_id in self.residues:
-            if (
-                self.residues[res_id].user_deleted
-                or self.residues[res_id].rdkit_mol is None
-            ):
-                continue
+        for res_id in self.get_valid_residues():
             resmol = self.residues[res_id].rdkit_mol
             if use_modified_coords and self.residues[res_id].molsetup is not None:
                 molsetup = self.residues[res_id].molsetup
@@ -1637,21 +1625,11 @@ def export_static_atom_params(self):
 
     # The following functions return filtered dictionaries of residues based on the value of residue flags.
     # region Filtering Residues
-    def get_user_deleted_residues(self):
-        return {k: v for k, v in self.residues.items() if v.user_deleted}
-
-    def get_non_user_deleted_residues(self):
-        return {k: v for k, v in self.residues.items() if not v.user_deleted}
-
     def get_ignored_residues(self):
         return {k: v for k, v in self.residues.items() if v.rdkit_mol is None}
 
-    def get_not_ignored_residues(self):
-        return {k: v for k, v in self.residues.items() if not v.rdkit_mol is not None}
-
-    # TODO: rename this
     def get_valid_residues(self):
-        return {k: v for k, v in self.residues.items() if v.is_valid_residue()}
+        return {k: v for k, v in self.residues.items() if v.rdkit_mol is not None}
 
     # endregion
 
@@ -1800,11 +1778,7 @@ def __init__(
         self.molsetup = None
         self.molsetup_mapidx = None
         self.is_flexres_atom = None  # Check about these data types/Do we want the default to be None or empty
-
-        # flags
-        # NOTE no longer using ignore_residue, checking if rdkit_mol == None instead
         self.is_movable = False
-        self.user_deleted = False
 
     def set_atom_names(self, atom_names_list):
         """
@@ -1853,17 +1827,6 @@ def from_json(cls, json_string):
         residue = json.loads(json_string, object_hook=cls.chorizo_residue_json_decoder)
         return residue
 
-    def is_valid_residue(self) -> bool:
-        """
-        Returns true if the residue is not marked as deleted by a user and has not been marked as a residue to
-        ignore
-
-        Returns
-        -------
-        bool
-        """
-        return self.rdkit_mol is not None and not self.user_deleted
-
 
 class ResiduePadder:
     """
@@ -2149,7 +2112,6 @@ def default(self, obj):
                 "molsetup": molsetup_json,
                 "is_flexres_atom": obj.is_flexres_atom,
                 "is_movable": obj.is_movable,
-                "user_deleted": obj.user_deleted,
                 "molsetup_mapidx": obj.molsetup_mapidx,
             }
         return json.JSONEncoder.default(self, obj)
@@ -2333,7 +2295,6 @@ def chorizo_residue_json_decoder(obj: dict):
         "molsetup",
         "is_flexres_atom",
         "is_movable",
-        "user_deleted",
         "molsetup_mapidx",
     }
 
@@ -2369,7 +2330,6 @@ def chorizo_residue_json_decoder(obj: dict):
     # boolean values
     residue.is_flexres_atom = obj["is_flexres_atom"]
     residue.is_movable = obj["is_movable"]
-    residue.user_deleted = obj["user_deleted"]
 
     return residue
 
diff --git a/scripts/mk_prepare_receptor.py b/scripts/mk_prepare_receptor.py
index 7bdb81c2..c336a3cc 100755
--- a/scripts/mk_prepare_receptor.py
+++ b/scripts/mk_prepare_receptor.py
@@ -131,7 +131,7 @@ def get_args():
 
     config_group = parser.add_argument_group("Receptor perception")
     config_group.add_argument("-n", "--set_template", help="e.g. A:5,7=CYX,B:17=HID")
-    config_group.add_argument("--delete_residues", help='e.g. \'["A:350", "B:17"]\'')
+    config_group.add_argument("--delete_residues", help="e.g. A:350,B:15,16,17")
     config_group.add_argument("--blunt_ends", help="e.g. A:123,200=2,A:1=0")
     config_group.add_argument("--chorizo_config", help="[.json]")
     config_group.add_argument("--add_templates", help="[.json]")
@@ -382,7 +382,7 @@ def get_args():
     j = [(k, int(v)) for k, v in j.items()]
     blunt_ends.extend(j)
 if args.delete_residues is not None:
-    del_res.extend(json.loads(args.delete_residues))
+    del_res.extend(parse_cmdline_res(args.delete_residues))
 if args.mk_config is not None:
     with open(args.mk_config) as f:
         mk_config = json.load(f)
@@ -506,9 +506,6 @@ def get_args():
 # Combine nonreactive and reactive flexible residues into one set
 all_flexres = nonreactive_flexres.union(reactive_flexres)
 
-#  mutate_res_dict=mutate_res_dict, termini=termini, deleted_residues=del_res,
-#                                 allow_bad_res=args.allow_bad_res, skip_auto_disulfide=args.skip_auto_disulfide)
-
 for res_id in all_flexres:
     chorizo.flexibilize_sidechain(res_id, mk_prep)
 rigid_pdbqt, flex_pdbqt_dict = PDBQTWriterLegacy.write_from_linked_rdkit_chorizo(
@@ -518,20 +515,6 @@ def get_args():
     with open(args.chorizo_pickle, "wb") as f:
         pickle.dump(chorizo, f)
 
-# suggested_config = {}
-# if len(chorizo.suggested_mutations):
-#    suggested_config["mutate_res_dict"] = chorizo.suggested_mutations.copy()
-
-# if len(chorizo.get_ignored_residues()) > 0:
-#    removed_residues = chorizo.get_ignored_residues()
-#    print("Automatically deleted %d residues" % len(removed_residues))
-#    print(json.dumps(list(removed_residues.keys()), indent=4))
-#    suggested_config["deleted_residues"] = removed_residues.copy()
-
-# rigid_pdbqt, ok, err = PDBQTWriterLegacy.write_string_static_molsetup(molsetup)
-# ok, err = receptor.assign_types_charges()
-# check(ok, err)
-
 pdbqt = {
     "rigid": rigid_pdbqt,
     "flex": flex_pdbqt_dict,
@@ -588,14 +571,6 @@ def get_args():
 with open(rigid_fn, "w") as f:
     f.write(pdbqt["rigid"])
 
-# if len(suggested_config):
-#    suggested_fn = str(outpath.with_suffix("")) + "_suggested-config.json"
-#    written_files_log["filename"].append(suggested_fn)
-#    written_files_log["description"].append("log of automated decisions for user inspection")
-#    with open(suggested_fn, "w") as f:
-#        print(suggested_config)
-#        json.dump(list(suggested_config.keys()), f)
-
 # GPF for autogrid4
 if not args.skip_gpf:
     if args.box_center is not None:
diff --git a/test/json_serialization_test.py b/test/json_serialization_test.py
index 3a037b15..7958131c 100644
--- a/test/json_serialization_test.py
+++ b/test/json_serialization_test.py
@@ -608,7 +608,6 @@ def check_residue_equality(decoded_obj: ChorizoResidue, starting_obj: ChorizoRes
     # Bools
     assert decoded_obj.is_flexres_atom == starting_obj.is_flexres_atom
     assert decoded_obj.is_movable == starting_obj.is_movable
-    assert decoded_obj.user_deleted == starting_obj.user_deleted
     return
 
 
diff --git a/test/linked_rdkit_chorizo_creation_test.py b/test/linked_rdkit_chorizo_creation_test.py
index cbf2ff98..9b1baccb 100644
--- a/test/linked_rdkit_chorizo_creation_test.py
+++ b/test/linked_rdkit_chorizo_creation_test.py
@@ -96,7 +96,6 @@ def test_AHHY_all_static_residues():
     assert len(chorizo.residues) == 4
     assert len(chorizo.get_ignored_residues()) == 0
     assert len(chorizo.get_valid_residues()) == 4
-    assert len(chorizo.get_user_deleted_residues()) == 0
     assert chorizo.residues["A:1"].residue_template_key == "ALA"
     assert chorizo.residues["A:2"].residue_template_key == "HID"
     assert chorizo.residues["A:3"].residue_template_key == "HIE"
@@ -148,7 +147,6 @@ def test_just_three_padded_mol():
     assert len(chorizo.residues) == 3
     assert len(chorizo.get_ignored_residues()) == 0
     assert len(chorizo.get_valid_residues()) == 3
-    assert len(chorizo.get_user_deleted_residues()) == 0
 
     assert chorizo.residues[":15"].residue_template_key == "NMET"
     assert chorizo.residues[":16"].residue_template_key == "SER"
@@ -189,8 +187,6 @@ def test_AHHY_mutate_residues():
     assert len(chorizo.residues) == 4
     assert len(chorizo.get_ignored_residues()) == 0
     assert len(chorizo.get_valid_residues()) == 3
-    assert len(chorizo.get_user_deleted_residues()) == 1
-    assert chorizo.residues["A:4"].user_deleted
 
     assert chorizo.residues["A:1"].residue_template_key == "ALA"
     assert chorizo.residues["A:2"].residue_template_key == "HIP"
@@ -220,7 +216,6 @@ def test_residue_missing_atoms():
         blunt_ends=[("A:1", 0), ("A:1", 2)],
     )
     assert len(chorizo.get_valid_residues()) == 0
-    assert len(chorizo.get_user_deleted_residues()) == 0
     assert len(chorizo.residues) == 1
     assert len(chorizo.get_ignored_residues()) == 1
 

From b7353213de9893ccf8473ff2d86b3455e06031da Mon Sep 17 00:00:00 2001
From: diogom <diogom@scripps.edu>
Date: Tue, 1 Oct 2024 16:36:07 -0700
Subject: [PATCH 026/166] minor fixes to previous commit

---
 meeko/linked_rdkit_chorizo.py              | 4 +++-
 test/linked_rdkit_chorizo_creation_test.py | 2 +-
 2 files changed, 4 insertions(+), 2 deletions(-)

diff --git a/meeko/linked_rdkit_chorizo.py b/meeko/linked_rdkit_chorizo.py
index 7a27e5db..17f74361 100644
--- a/meeko/linked_rdkit_chorizo.py
+++ b/meeko/linked_rdkit_chorizo.py
@@ -479,7 +479,7 @@ def _delete_residues(res_to_delete, raw_input_mols):
 
     Parameters
     ----------
-    res_to_delete: list (str)
+    res_to_delete: list (str) or None
         residue IDs to delete in format <chain>:<resnum><icode>
     raw_input_mols: dict (str -> RDKit mol)
         keys are residue IDs
@@ -490,6 +490,8 @@ def _delete_residues(res_to_delete, raw_input_mols):
     (modifies raw_input_mols in-place)
 
     """
+    if res_to_delete is None:
+        return
     missing = set()
     for res in res_to_delete:
         if res not in raw_input_mols:
diff --git a/test/linked_rdkit_chorizo_creation_test.py b/test/linked_rdkit_chorizo_creation_test.py
index 9b1baccb..e1a429ca 100644
--- a/test/linked_rdkit_chorizo_creation_test.py
+++ b/test/linked_rdkit_chorizo_creation_test.py
@@ -184,7 +184,7 @@ def test_AHHY_mutate_residues():
         set_template=set_template,
         blunt_ends=[("A:1", 0)],
     )
-    assert len(chorizo.residues) == 4
+    assert len(chorizo.residues) == 3
     assert len(chorizo.get_ignored_residues()) == 0
     assert len(chorizo.get_valid_residues()) == 3
 

From d08b62a5d5173b1adc1d6f5cc7667b8a17197046 Mon Sep 17 00:00:00 2001
From: Amy He <ayhe1768@gmail.com>
Date: Wed, 2 Oct 2024 18:16:34 -0700
Subject: [PATCH 027/166] 1. refactor ResiduePadder; 2. modify react_and_map in
 rdkitutils; 3. update chem templates for NME

---
 meeko/data/residue_chem_templates.json |  11 +-
 meeko/linked_rdkit_chorizo.py          | 257 ++++++++++---------------
 meeko/utils/rdkitutils.py              |  99 ++++------
 3 files changed, 144 insertions(+), 223 deletions(-)

diff --git a/meeko/data/residue_chem_templates.json b/meeko/data/residue_chem_templates.json
index be88b194..c9e1ec9f 100644
--- a/meeko/data/residue_chem_templates.json
+++ b/meeko/data/residue_chem_templates.json
@@ -5,7 +5,6 @@
 	"C": ["C", "C-5endPO4", "C-5endOH"],
 	"U": ["U", "U-5endPO4"],
 	"HIS": ["HIE", "HID", "HIP", "NHIE", "NHID", "NHIP", "CHIE", "CHID", "CHIP"],
-	"TYR": ["TYR", "NTYR", "CTYR"],
     	"CYS": ["CYS", "CYX", "CYX-", "NCYS", "NCYX", "NCYX-", "CCYS", "CCYX", "CCYX-"],
     	"CYX": [       "CYX", "CYX-",         "NCYX", "NCYX-",         "CCYX", "CCYX-"],
     	"CYM": [              "CYX-",                 "NCYX-",                 "CCYX-"],
@@ -42,11 +41,15 @@
 	},
 	"N-term": {
 	    "rxn_smarts": "[C:1](=[O:2])[C:3][N:4]>>[C:1](=[O:2])[C:3][N:4][C:11](=[O:12])[C:13]",
-	    "adjacent_res_smarts": "[C:11](=[O:12])[C:13][N]"
+	    "adjacent_res_smarts": "[CX3h1:11](=[O:12])[C:13]"
+	},
+	"NME-N-term": {
+	    "rxn_smarts": "[C:3][N:4]>>[C:3][N:4][C:11](=[O:12])[C:13]",
+	    "adjacent_res_smarts": "[CX3h1:11](=[O:12])[C:13]"
 	},
 	"C-term": {
 	    "rxn_smarts": "[C:1](=[O:2])[C:3][N:4]>>[C:11][N:12][C:1](=[O:2])[C:3][N:4]",
-	    "adjacent_res_smarts": "[C](=O)[C:11][N:12]"
+	    "adjacent_res_smarts": "[C:11][NX3h1:12]"
 	},
 	"dissulfide": {
 	    "rxn_smarts": "[C:1][S:2]>>[C:1][S:2][S:11][C:12]",
@@ -58,7 +61,7 @@
     	"NME": {
     	    "smiles": "C([H])([H])([H])N[H]",
     	    "atom_name": ["CH3", "HH31", "HH32", "HH33", "N", "H"],
-    	    "link_labels": {"4": "N-term"}
+    	    "link_labels": {"4": "NME-N-term"}
     	},
     	"ACE": {
     	    "smiles": "C(=O)C([H])([H])[H]",
diff --git a/meeko/linked_rdkit_chorizo.py b/meeko/linked_rdkit_chorizo.py
index 17f74361..cc0ada5d 100644
--- a/meeko/linked_rdkit_chorizo.py
+++ b/meeko/linked_rdkit_chorizo.py
@@ -183,70 +183,6 @@ def find_inter_mols_bonds(mols_dict):
                     bonds[key].append(value)
     return bonds
 
-def update_H_positions(mol, indices_to_update, positions=None):
-    """re-calculate positions of some existing hydrogens
-
-    no guarantees that chirality can be preserved
-
-    Parameters
-    ----------
-    mol: RDKitmol
-        molecule with hydrogens
-    indices_to_update: list
-        indices of hydrogens for which positions will be re-calculated
-    """
-    new_positions = dict()
-    if positions is not None:
-        mol = Chem.Mol(mol)
-
-    conf = mol.GetConformer()
-    tmpmol = Chem.RWMol(mol)
-    to_del = {}
-    to_add_h = []
-    for h_index in indices_to_update:
-        atom = tmpmol.GetAtomWithIdx(h_index)
-        if atom.GetAtomicNum() != 1:
-            raise RuntimeError("only H positions can be updated")
-        heavy_neighbors = []
-        for neigh_atom in atom.GetNeighbors():
-            if neigh_atom.GetAtomicNum() != 1:
-                heavy_neighbors.append(neigh_atom)
-        if len(heavy_neighbors) != 1:
-            raise RuntimeError(f"hydrogens must have 1 non-H neighbor, got {len(heavy_neighbors)}")
-        to_add_h.append(heavy_neighbors[0])
-        to_del[h_index] = heavy_neighbors[0]
-    for i in sorted(to_del, reverse=True):
-        tmpmol.RemoveAtom(i)
-        to_del[i].SetNumExplicitHs(to_del[i].GetNumExplicitHs() + 1)
-    to_add_h = list(
-        set([atom.GetIdx() for atom in to_add_h]))  # atom.GetIdx() returns new index after deleting Hs
-    tmpmol = tmpmol.GetMol()
-    tmpmol.UpdatePropertyCache()
-    # for atom in tmpmol.GetAtoms():
-    #    print(atom.GetAtomicNum(), atom.GetNumImplicitHs(), atom.GetNumExplicitHs())
-    Chem.SanitizeMol(tmpmol)
-    tmpmol = Chem.AddHs(tmpmol, onlyOnAtoms=to_add_h, addCoords=True)
-    # tmpmol = Chem.AddHs(tmpmol, addCoords=True)
-    # print(tmpmol.GetNumAtoms())
-    tmpconf = tmpmol.GetConformer()
-    # print(tmpconf.GetPositions())
-    used_h = set()  # heavy atom may have multiple H that were missing, keep track of Hs that were visited
-    for h_index, parent in to_del.items():
-        for atom in tmpmol.GetAtomWithIdx(parent.GetIdx()).GetNeighbors():
-            # print(atom.GetAtomicNum(), atom.GetIdx(), len(mapping), tmpmol.GetNumAtoms())
-            has_new_position = atom.GetIdx() >= mol.GetNumAtoms() - len(to_del)
-            if atom.GetAtomicNum() == 1 and has_new_position:
-                if atom.GetIdx() not in used_h:
-                    # print(h_index, tuple(tmpconf.GetAtomPosition(atom.GetIdx())))
-                    # conf.SetAtomPosition(h_index, tmpconf.GetAtomPosition(atom.GetIdx()))
-                    positions = tmpconf.GetAtomPosition(atom.GetIdx())
-                    new_positions[h_index] = np.array([positions.x,
-                                                       positions.y,
-                                                       positions.z])
-                    used_h.add(atom.GetIdx())
-                    break  # h_index coords copied, don't look into further H bound to parent
-                    # no guarantees about preserving chirality, which we don't need
-    return new_positions
 
 def mapping_by_mcs(mol, ref):
     """
@@ -1850,7 +1786,7 @@ class ResiduePadder:
     # reaction should not delete atoms, not even Hs
     # reaction should create bonds at non-real Hs (implicit or explicit rdktt H)
 
-    def __init__(self, rxn_smarts, adjacent_res_smarts=None):  # , link_labels=None):
+    def __init__(self, rxn_smarts, adjacent_res_smarts=None): 
         """
         Parameters
         ----------
@@ -1867,105 +1803,95 @@ def __init__(self, rxn_smarts, adjacent_res_smarts=None):  # , link_labels=None)
             unmapped in the reagents.
         """
 
+        # Ensure rxn_smarts has single reactant and single product
+        self.rxn = self._validate_rxn_smarts(rxn_smarts)
+
+        # Ensure adjacent_res_smarts is None or a valid SMARTS        
+        self.adjacent_smartsmol = self._initialize_adj_smartsmol(adjacent_res_smarts)
+        
+        # Ensure the atom mapping numbers are the same in adjacent_smartsmol and rxn_smarts's product
+        is_ok, padding_ids, adjacent_ids = self._check_adj_smarts(self.rxn, self.adjacent_smartsmol)
+        if not is_ok:
+            raise ValueError(f"SMARTS labels in adjacent_smartsmol ({adjacent_ids}) differ from \
+                             unmapped product labels in reaction ({padding_ids})")
+    
+    @staticmethod
+    def _validate_rxn_smarts(rxn_smarts):
+        """Ensure rxn_smarts has single reactant and single product"""
         rxn = rdChemReactions.ReactionFromSmarts(rxn_smarts)
         if rxn.GetNumReactantTemplates() != 1:
-            raise ValueError(
-                f"expected 1 reactants, got {rxn.GetNumReactantTemplates()} in {rxn_smarts}"
-            )
+            raise ValueError(f"Expected 1 reactant, got {rxn.GetNumReactantTemplates()}.")
         if rxn.GetNumProductTemplates() != 1:
-            raise ValueError(
-                f"expected 1 product, got {rxn.GetNumProductTemplates()} in {rxn_smarts}"
-            )
-        self.rxn = rxn
+            raise ValueError(f"Expected 1 product, got {rxn.GetNumProductTemplates()}.")
+        return rxn
+    
+    @staticmethod
+    def _initialize_adj_smartsmol(adjacent_res_smarts):
+        """
+        Ensure adjacent_res_smarts is None or a valid SMARTS
+        """
         if adjacent_res_smarts is None:
-            self.adjacent_smartsmol = None
-            self.adjacent_smartsmol_mapidx = None
-        else:
-            adjacent_smartsmol = Chem.MolFromSmarts(adjacent_res_smarts)
-            assert adjacent_smartsmol is not None
-            is_ok, padding_ids, adjacent_ids = self._check_adj_smarts(
-                rxn, adjacent_smartsmol
-            )
-            if not is_ok:
-                msg = (
-                    f"SMARTS labels in adjacent_smartsmol ({adjacent_ids}) differ from unmapped product labels in reaction ({padding_ids})"
-                    + os_linesep
-                )
-                msg += f"{rxn_smarts=}" + os_linesep
-                msg += f"{adjacent_res_smarts=}" + os_linesep
-            self.adjacent_smartsmol = adjacent_smartsmol
-            self.adjacent_smartsmol_mapidx = {}
-            for atom in self.adjacent_smartsmol.GetAtoms():
+            return None
+        adjacent_smartsmol = Chem.MolFromSmarts(adjacent_res_smarts)
+        if adjacent_smartsmol is None:
+            raise RuntimeError("Invalid SMARTS pattern in adjacent_res_smarts")
+        return adjacent_smartsmol
+    
+    @staticmethod
+    def _check_adj_smarts(rxn, adjacent_smartsmol):
+        """
+        Ensure the atom mapping numbers are the same in adjacent_smartsmol and rxn_smarts's product
+        """
+        def get_molAtomMapNumbers(mol):
+            numbers = set()
+            for atom in mol.GetAtoms():
                 if atom.HasProp("molAtomMapNumber"):
-                    j = atom.GetIntProp("molAtomMapNumber")
-                    self.adjacent_smartsmol_mapidx[j] = atom.GetIdx()
+                    numbers.add(atom.GetIntProp("molAtomMapNumber"))
+            return numbers
 
-    def __call__(
-        self,
-        target_mol,
-        adjacent_mol=None,
-        target_required_atom_index=None,
-        adjacent_required_atom_index=None,
-    ):
+        # Assumes single reactant and single product
+        reactant_ids = get_molAtomMapNumbers(rxn.GetReactantTemplate(0))
+        product_ids = get_molAtomMapNumbers(rxn.GetProductTemplate(0))
+        adjacent_ids = get_molAtomMapNumbers(adjacent_smartsmol)
+        padding_ids = product_ids.difference(reactant_ids)
+        is_ok = padding_ids == adjacent_ids
+        return is_ok, padding_ids, adjacent_ids
+
+    def __call__(self, target_mol, adjacent_mol=None, 
+                 target_required_atom_index=None, adjacent_required_atom_index=None):
         # add Hs only to padding atoms
         # copy coordinates if adjacent res has Hs bound to heavy atoms
         # labels have been checked upstream
 
-        products, idxmap = react_and_map((target_mol,), self.rxn)
-        if target_required_atom_index is not None:
-            passing_products = []
-            for product, atomidx in zip(products, idxmap["atom_idx"]):
-                if target_required_atom_index in atomidx[0]:  # 1 product template
-                    passing_products.append(product)
-            if len(passing_products) > 1:
-                raise RuntimeError(
-                    "more than 1 padding product has target_required_atom_index"
-                )
-            products = passing_products
-        if len(products) > 1 and target_required_atom_index is None:
-            raise RuntimeError(
-                "more than 1 padding product, consider using target_required_atom_index"
-            )
-        if len(products) == 0:
-            raise RuntimeError("zero products from padding reaction")
-
-        padded_mol = products[0][0]
-
-        # is_pad_atom = [reactant_idx == 0 for reactant_idx in idxmap["reactant_idx"][0][0]]
-        # mapidx = {i: j for (i, j) in enumerate(idxmap["atom_idx"][0][0]) if j is not None}
-        # return padded_mol, is_pad_atom, mapidx
-
-        mapidx = idxmap["atom_idx"][0][0]
-        padding_heavy_atoms = []
-        for i, j in enumerate(idxmap["atom_idx"][0][0]):
-            # j is index in reactants, if j is None then it's a padding atom
-            if j is None and padded_mol.GetAtomWithIdx(i).GetAtomicNum() != 1:
-                padding_heavy_atoms.append(i)
-
+        # Ensure target_mol contains self.rxn's reactant
+        self._check_target_mol(target_mol)
+    
+        # Get adjacent_mol's reacting part that contains adjacent_required_atom_index
+        if adjacent_mol is not None:
+            hit = self._check_and_map_adjacent_mol(adjacent_mol, adjacent_required_atom_index)
+        
+        # Get padded mol and index map from the rxn
+        padded_mol, idxmap = react_and_map((target_mol,), self.rxn, target_required_atom_index)
+        padding_heavy_atoms = [
+            i for i, j in enumerate(idxmap["atom_idx"])
+            if j is None and padded_mol.GetAtomWithIdx(i).GetAtomicNum() != 1
+        ]
+        mapidx = idxmap["atom_idx"]
+
+        # Add Hs to padded_mol and update mapidx
         if adjacent_mol is None:
             padded_mol.UpdatePropertyCache()  # avoids getNumImplicitHs() called without preceding call to calcImplicitValence()
             Chem.SanitizeMol(padded_mol)  # just in case
             padded_h = Chem.AddHs(padded_mol, onlyOnAtoms=padding_heavy_atoms)
             mapidx += [None] * (padded_h.GetNumAtoms() - padded_mol.GetNumAtoms())
-        elif self.adjacent_smartsmol is None:
-            raise RuntimeError(
-                "had to be initialized with adjacent_res_smarts to support adjacent_mol"
-            )
         else:
-            hits = adjacent_mol.GetSubstructMatches(self.adjacent_smartsmol)
-            if adjacent_required_atom_index is not None:
-                hits = [hit for hit in hits if adjacent_required_atom_index in hit]
-            if len(hits) != 1:
-                raise RuntimeError(
-                    f"length of hits must be 1, but it's {len(hits)}"
-                )  # TODO use required_atom_idx from bonds
-            hit = hits[0]
+            # Get coordinates of existing atoms
             adjacent_coords = adjacent_mol.GetConformer().GetPositions()
             for atom in self.adjacent_smartsmol.GetAtoms():
                 if not atom.HasProp("molAtomMapNumber"):
                     continue
                 j = atom.GetIntProp("molAtomMapNumber")
-                k = idxmap["new_atom_label"][0][0].index(j)
+                k = idxmap["new_atom_label"].index(j)
                 l = self.adjacent_smartsmol_mapidx[j]
                 padded_mol.GetConformer().SetAtomPosition(k, adjacent_coords[hit[l]])
             padded_mol.UpdatePropertyCache()  # avoids getNumImplicitHs() called without preceding call to calcImplicitValence()
@@ -1974,22 +1900,37 @@ def __call__(
                 padded_mol, onlyOnAtoms=padding_heavy_atoms, addCoords=True
             )
         return padded_h, mapidx
+    
+    def _check_and_map_adjacent_mol(self, adjacent_mol, adjacent_required_atom_index):
+        """
+        Ensure adjacent_mol contains self.adjacent_smartsmol, and 
+        there's exactly one match that includes atom with adjacent_required_atom_index
+        """
+        if self.adjacent_smartsmol is None:
+            raise RuntimeError("adjacent_res_smarts must be initialized to support adjacent_mol.")
+        
+        self.adjacent_smartsmol_mapidx = {
+            atom.GetIntProp("molAtomMapNumber"): atom.GetIdx()
+            for atom in self.adjacent_smartsmol.GetAtoms() if atom.HasProp("molAtomMapNumber")
+        }
 
-    @staticmethod
-    def _check_adj_smarts(rxn, adjacent_smartsmol):
-        def get_molAtomMapNumbers(mol):
-            numbers = set()
-            for atom in mol.GetAtoms():
-                if atom.HasProp("molAtomMapNumber"):
-                    numbers.add(atom.GetIntProp("molAtomMapNumber"))
-            return numbers
-
-        reactant_ids = get_molAtomMapNumbers(rxn.GetReactantTemplate(0))
-        product_ids = get_molAtomMapNumbers(rxn.GetProductTemplate(0))
-        adjacent_ids = get_molAtomMapNumbers(adjacent_smartsmol)
-        padding_ids = product_ids.difference(reactant_ids)
-        is_ok = padding_ids == adjacent_ids
-        return is_ok, padding_ids, adjacent_ids
+        hits = adjacent_mol.GetSubstructMatches(self.adjacent_smartsmol)
+        if adjacent_required_atom_index is not None:
+            hits = [hit for hit in hits if adjacent_required_atom_index in hit]
+            if len(hits) == 0:
+                raise RuntimeError(f"adjacent_mol doesn't contain adjacent_smartsmol.")
+            elif len(hits) > 1:
+                raise RuntimeError(f"adjacent_mol has multiple matches for adjacent_smartsmol.")
+        return hits[0]
+    
+    def _check_target_mol(self, target_mol):
+        """Ensure target_mol contains self.rxn's reactant"""
+    
+        # Assumes single reactant
+        if target_mol.GetSubstructMatches(self.rxn.GetReactantTemplate(0)):
+            return
+        else:
+            raise RuntimeError(f"target_mol does not contain the expected reactant.")
 
     @classmethod
     def from_json(cls, string):
diff --git a/meeko/utils/rdkitutils.py b/meeko/utils/rdkitutils.py
index b85f5457..da66e287 100644
--- a/meeko/utils/rdkitutils.py
+++ b/meeko/utils/rdkitutils.py
@@ -1,4 +1,5 @@
 from rdkit import Chem
+from rdkit.Chem import rdChemReactions
 from .utils import mini_periodic_table
 from .pdbutils import PDBAtomInfo
 
@@ -90,66 +91,42 @@ def __next__(self):
         return mol
 
 
-def react_and_map(reactants, rxn):
+def react_and_map(reactants: tuple[Chem.Mol], rxn: rdChemReactions.ChemicalReaction, target_required_atom_index = None):
     """run reaction and keep track of atom indices from reagents to products"""
 
-    # https://github.com/rdkit/rdkit/discussions/4327#discussioncomment-998612
-
-    # keep track of the reactant that each atom belongs to
-    for i, reactant in enumerate(reactants):
-        for atom in reactant.GetAtoms():
-            atom.SetIntProp("reactant_idx", i)
-
-    reactive_atoms_idxmap = {}
-    for i in range(rxn.GetNumReactantTemplates()):
-        reactant_template = rxn.GetReactantTemplate(i)
-        for atom in reactant_template.GetAtoms():
-            if atom.GetAtomMapNum():
-                reactive_atoms_idxmap[atom.GetAtomMapNum()] = i
-
-    products_list = rxn.RunReactants(reactants)
-
-    index_map = {"reactant_idx": [], "atom_idx": [], "new_atom_label": []}
-    for products in products_list:
-        result_reac_map = []
-        result_atom_map = []
-        new_atom_label_list = (
-            []
-        )  # for atoms created by the reaction that are labeled e.g. F in "[O:1]>>[O:1][F:2]"
-        for product in products:
-            atom_idxmap = []
-            reac_idxmap = []
-            new_atom_label = []
-            for atom in product.GetAtoms():
-                if atom.HasProp("reactant_idx"):
-                    reactant_idx = atom.GetIntProp("reactant_idx")
-                    new_atom_label.append(None)
-                elif atom.HasProp("old_mapno"):  # this atom matched the reaction SMARTS
-                    old_mapno = atom.GetIntProp("old_mapno")
-                    if old_mapno in reactive_atoms_idxmap:
-                        reactant_idx = reactive_atoms_idxmap[old_mapno]
-                        new_atom_label.append(None)
-                    else:
-                        reactant_idx = None
-                        new_atom_label.append(
-                            old_mapno
-                        )  # the reaction SMARTS created this atom and it has a label
-                    # if atom.HasProp("reactant_idx"):
-                    #    raise RuntimeError("did not expect both old_mapno and reactant_idx")
-                    #    #print("did not expect both old_mapno and reactant_idx")
-                else:
-                    reactant_idx = None  # the reaction SMARTS creates new atoms
-                    new_atom_label.append(None)
-                reac_idxmap.append(reactant_idx)
-                if atom.HasProp("react_atom_idx"):
-                    atom_idxmap.append(atom.GetIntProp("react_atom_idx"))
-                else:
-                    atom_idxmap.append(None)
-            result_reac_map.append(reac_idxmap)
-            result_atom_map.append(atom_idxmap)
-            new_atom_label_list.append(new_atom_label)
-        index_map["reactant_idx"].append(result_reac_map)
-        index_map["atom_idx"].append(result_atom_map)
-        index_map["new_atom_label"].append(new_atom_label_list)
-
-    return products_list, index_map
+    # Prepare for multiple possible outcomes resulted from multiple matched reactive sites in reactant
+    outcomes = []
+    for products in rxn.RunReactants(reactants): 
+        # Assumes single product 
+        product = products[0]
+        # For each atom, get react_atom_idx if they were in reactant
+        atom_idxmap = [
+            atom.GetIntProp("react_atom_idx") if atom.HasProp("react_atom_idx")
+            else None
+            for atom in product.GetAtoms()
+        ]
+        # For each atom, get the rxn mapping number if the were added in the rxn
+        new_atom_label = [
+            atom.GetIntProp("old_mapno") if atom.HasProp("old_mapno") and not atom.HasProp("react_atom_idx")
+            else None
+            for atom in product.GetAtoms()
+        ]
+        # Collect product and index_map
+        index_map = {"atom_idx": atom_idxmap, "new_atom_label": new_atom_label}
+        outcomes.append((product, index_map))
+
+    # Filter outcomes by target_required_atom_index
+    if target_required_atom_index is not None:
+        outcomes = [
+            (product, index_map)
+            for (product, index_map) in outcomes 
+            if target_required_atom_index in index_map["atom_idx"] 
+        ]
+
+    # Ensure single outcome
+    if len(outcomes) == 0:
+        raise RuntimeError(f"No passing outcomes")
+    elif len(outcomes) > 1:
+        raise RuntimeError(f"Multiple passing outcomes?")
+
+    return outcomes[0]

From c7c6a48151795f8f45f43c629cccd0815586754f Mon Sep 17 00:00:00 2001
From: Amy He <ayhe1768@gmail.com>
Date: Thu, 3 Oct 2024 13:22:40 -0700
Subject: [PATCH 028/166] provide fallback options for NME

---
 meeko/data/residue_chem_templates.json | 12 ++---
 meeko/linked_rdkit_chorizo.py          | 73 ++++++++++++++++++++++----
 meeko/utils/rdkitutils.py              | 18 +------
 3 files changed, 70 insertions(+), 33 deletions(-)

diff --git a/meeko/data/residue_chem_templates.json b/meeko/data/residue_chem_templates.json
index c9e1ec9f..e40bd493 100644
--- a/meeko/data/residue_chem_templates.json
+++ b/meeko/data/residue_chem_templates.json
@@ -40,16 +40,12 @@
 	    "adjacent_res_smarts": "[PX4h1:11]([O-:12])(=[O:13])[O:14][C:15]"
 	},
 	"N-term": {
-	    "rxn_smarts": "[C:1](=[O:2])[C:3][N:4]>>[C:1](=[O:2])[C:3][N:4][C:11](=[O:12])[C:13]",
-	    "adjacent_res_smarts": "[CX3h1:11](=[O:12])[C:13]"
-	},
-	"NME-N-term": {
-	    "rxn_smarts": "[C:3][N:4]>>[C:3][N:4][C:11](=[O:12])[C:13]",
-	    "adjacent_res_smarts": "[CX3h1:11](=[O:12])[C:13]"
+	    "rxn_smarts": "[C](=[O])[C:3][N:4]>>[C](=[O])[C:3][N:4][C:11](=[O:12])[C:13]",
+	    "adjacent_res_smarts": "[CX3h1:11](=[O:12])[C:13][N]"
 	},
 	"C-term": {
 	    "rxn_smarts": "[C:1](=[O:2])[C:3][N:4]>>[C:11][N:12][C:1](=[O:2])[C:3][N:4]",
-	    "adjacent_res_smarts": "[C:11][NX3h1:12]"
+	    "adjacent_res_smarts": "[C](=[O])[C:11][NX3h1:12]"
 	},
 	"dissulfide": {
 	    "rxn_smarts": "[C:1][S:2]>>[C:1][S:2][S:11][C:12]",
@@ -61,7 +57,7 @@
     	"NME": {
     	    "smiles": "C([H])([H])([H])N[H]",
     	    "atom_name": ["CH3", "HH31", "HH32", "HH33", "N", "H"],
-    	    "link_labels": {"4": "NME-N-term"}
+    	    "link_labels": {"4": "N-term"}
     	},
     	"ACE": {
     	    "smiles": "C(=O)C([H])([H])[H]",
diff --git a/meeko/linked_rdkit_chorizo.py b/meeko/linked_rdkit_chorizo.py
index cc0ada5d..0b777dd6 100644
--- a/meeko/linked_rdkit_chorizo.py
+++ b/meeko/linked_rdkit_chorizo.py
@@ -1871,7 +1871,23 @@ def __call__(self, target_mol, adjacent_mol=None,
             hit = self._check_and_map_adjacent_mol(adjacent_mol, adjacent_required_atom_index)
         
         # Get padded mol and index map from the rxn
-        padded_mol, idxmap = react_and_map((target_mol,), self.rxn, target_required_atom_index)
+        outcomes = react_and_map((target_mol,), self.rxn)
+
+        # Filter outcomes by target_required_atom_index
+        if target_required_atom_index is not None:
+            outcomes = [
+                (product, index_map)
+                for (product, index_map) in outcomes 
+                if target_required_atom_index in index_map["atom_idx"] 
+            ]
+
+        # Ensure single outcome
+        if len(outcomes) == 0:
+            raise RuntimeError(f"No passing outcomes")
+        elif len(outcomes) > 1:
+            raise RuntimeError(f"Multiple passing outcomes?")
+        padded_mol, idxmap = outcomes[0]
+
         padding_heavy_atoms = [
             i for i, j in enumerate(idxmap["atom_idx"])
             if j is None and padded_mol.GetAtomWithIdx(i).GetAtomicNum() != 1
@@ -1908,19 +1924,27 @@ def _check_and_map_adjacent_mol(self, adjacent_mol, adjacent_required_atom_index
         """
         if self.adjacent_smartsmol is None:
             raise RuntimeError("adjacent_res_smarts must be initialized to support adjacent_mol.")
-        
-        self.adjacent_smartsmol_mapidx = {
-            atom.GetIntProp("molAtomMapNumber"): atom.GetIdx()
-            for atom in self.adjacent_smartsmol.GetAtoms() if atom.HasProp("molAtomMapNumber")
-        }
 
         hits = adjacent_mol.GetSubstructMatches(self.adjacent_smartsmol)
         if adjacent_required_atom_index is not None:
             hits = [hit for hit in hits if adjacent_required_atom_index in hit]
             if len(hits) == 0:
-                raise RuntimeError(f"adjacent_mol doesn't contain adjacent_smartsmol.")
+                print("!!! FALL BACK for ADJ MOL !!!")
+                self.adjacent_smartsmol = remove_unmapped_atoms_from_mol(self.adjacent_smartsmol)
+                hits = adjacent_mol.GetSubstructMatches(self.adjacent_smartsmol)
+                hits = [hit for hit in hits if adjacent_required_atom_index in hit]
+                if len(hits) == 0:
+                    raise RuntimeError(f"adjacent_mol doesn't contain adjacent_smartsmol.")
+                elif len(hits) > 1:
+                    raise RuntimeError(f"adjacent_mol has multiple matches for adjacent_smartsmol.")
             elif len(hits) > 1:
-                raise RuntimeError(f"adjacent_mol has multiple matches for adjacent_smartsmol.")
+                raise RuntimeError(f"adjacent_mol has multiple matches for adjacent_smartsmol.")   
+
+        self.adjacent_smartsmol_mapidx = {
+            atom.GetIntProp("molAtomMapNumber"): atom.GetIdx()
+            for atom in self.adjacent_smartsmol.GetAtoms() if atom.HasProp("molAtomMapNumber")
+        }
+
         return hits[0]
     
     def _check_target_mol(self, target_mol):
@@ -1930,7 +1954,12 @@ def _check_target_mol(self, target_mol):
         if target_mol.GetSubstructMatches(self.rxn.GetReactantTemplate(0)):
             return
         else:
-            raise RuntimeError(f"target_mol does not contain the expected reactant.")
+            print("!!! FALL BACK for TAR MOL !!!")
+            self.rxn = remove_unmapped_atoms_from_reaction(self.rxn)
+            if target_mol.GetSubstructMatches(self.rxn.GetReactantTemplate(0)):
+                return
+            else:
+                raise RuntimeError(f"target_mol does not contain the expected reactant.")
 
     @classmethod
     def from_json(cls, string):
@@ -1941,6 +1970,32 @@ def to_json(self):
         return json.dumps(self, default=lambda o: o.__dict__)
 
 
+def remove_unmapped_atoms_from_mol(mol):
+    """Remove unmapped atoms from a molecule."""
+    # Get all atoms and their mapping numbers
+    atoms_to_remove = []
+    for atom in mol.GetAtoms():
+        if not atom.HasProp("molAtomMapNumber"):
+            atoms_to_remove.append(atom.GetIdx())
+
+    # Remove unmapped atoms
+    if len(atoms_to_remove) > 0:
+        mol = Chem.RWMol(mol)
+        for idx in sorted(atoms_to_remove, reverse=True):
+            mol.RemoveAtom(idx)
+
+    return mol.GetMol()
+
+def remove_unmapped_atoms_from_reaction(reaction):
+    """Remove unmapped atoms from both reactants and products in a reaction SMARTS."""
+    # Assumes single reactant and single product
+    reactant = remove_unmapped_atoms_from_mol(reaction.GetReactantTemplate(0))
+    product = remove_unmapped_atoms_from_mol(reaction.GetProductTemplate(0))
+    rxn_smarts = f"{Chem.MolToSmarts(reactant)}>>{Chem.MolToSmarts(product)}"
+ 
+    return rdChemReactions.ReactionFromSmarts(rxn_smarts)
+
+
 class ResidueTemplate:
     """
     Data and methods to pad rdkit molecules of chorizo residues with parts of adjacent residues.
diff --git a/meeko/utils/rdkitutils.py b/meeko/utils/rdkitutils.py
index da66e287..3416faa3 100644
--- a/meeko/utils/rdkitutils.py
+++ b/meeko/utils/rdkitutils.py
@@ -91,7 +91,7 @@ def __next__(self):
         return mol
 
 
-def react_and_map(reactants: tuple[Chem.Mol], rxn: rdChemReactions.ChemicalReaction, target_required_atom_index = None):
+def react_and_map(reactants: tuple[Chem.Mol], rxn: rdChemReactions.ChemicalReaction):
     """run reaction and keep track of atom indices from reagents to products"""
 
     # Prepare for multiple possible outcomes resulted from multiple matched reactive sites in reactant
@@ -115,18 +115,4 @@ def react_and_map(reactants: tuple[Chem.Mol], rxn: rdChemReactions.ChemicalReact
         index_map = {"atom_idx": atom_idxmap, "new_atom_label": new_atom_label}
         outcomes.append((product, index_map))
 
-    # Filter outcomes by target_required_atom_index
-    if target_required_atom_index is not None:
-        outcomes = [
-            (product, index_map)
-            for (product, index_map) in outcomes 
-            if target_required_atom_index in index_map["atom_idx"] 
-        ]
-
-    # Ensure single outcome
-    if len(outcomes) == 0:
-        raise RuntimeError(f"No passing outcomes")
-    elif len(outcomes) > 1:
-        raise RuntimeError(f"Multiple passing outcomes?")
-
-    return outcomes[0]
+    return outcomes

From 6128498a86f61a6b297e177a49e7d9fcadd7a24f Mon Sep 17 00:00:00 2001
From: Amy He <ayhe1768@gmail.com>
Date: Thu, 3 Oct 2024 14:44:06 -0700
Subject: [PATCH 029/166] complete fallback logics

---
 meeko/linked_rdkit_chorizo.py | 86 ++++++++++++++++++++---------------
 1 file changed, 49 insertions(+), 37 deletions(-)

diff --git a/meeko/linked_rdkit_chorizo.py b/meeko/linked_rdkit_chorizo.py
index 0b777dd6..e00d52f4 100644
--- a/meeko/linked_rdkit_chorizo.py
+++ b/meeko/linked_rdkit_chorizo.py
@@ -1192,20 +1192,30 @@ def _build_padded_mols(residues, bonds, padders):
                 atom.GetIdx(): atom.GetIdx() for atom in padded_mol.GetAtoms()
             }
             for atom_index, link_label in residue.link_labels.items():
+                # XXX
+                adjacent_rid, adjacent_resname  = [None, None]
                 adjacent_mol = None
                 adjacent_atom_index = None
                 for (r1_id, r2_id), (i1, i2) in bonds.items():
                     if r1_id == residue_id and i1 == atom_index:
-                        adjacent_mol = residues[r2_id].rdkit_mol
+                        adjacent_rid = r2_id
                         adjacent_atom_index = i2
-                        bond_use_count[(r1_id, r2_id)] += 1
                         break
                     elif r2_id == residue_id and i2 == atom_index:
-                        adjacent_mol = residues[r1_id].rdkit_mol
+                        adjacent_rid = r1_id
                         adjacent_atom_index = i1
-                        bond_use_count[(r1_id, r2_id)] += 1
                         break
-
+                
+                if adjacent_rid is not None:
+                    adjacent_mol = residues[adjacent_rid].rdkit_mol
+                    bond_use_count[(r1_id, r2_id)] += 1
+                    adjacent_resname = residues[adjacent_rid].input_resname
+                
+                print(link_label, residue_id, residue.input_resname, adjacent_rid, adjacent_resname)
+                print("padded_mol:", Chem.MolToSmiles(padded_mol))
+                print("rxn smarts:", rdChemReactions.ReactionToSmarts(padders[link_label].rxn))
+
+                # XXX
                 padded_mol, mapidx = padders[link_label](
                     padded_mol, adjacent_mol, atom_index, adjacent_atom_index
                 )
@@ -1864,14 +1874,34 @@ def __call__(self, target_mol, adjacent_mol=None,
         # labels have been checked upstream
 
         # Ensure target_mol contains self.rxn's reactant
-        self._check_target_mol(target_mol)
+        if not self._check_target_mol(target_mol):
+            rxn = remove_unmapped_atoms_from_reaction(self.rxn)
+            if not target_mol.GetSubstructMatches(rxn.GetReactantTemplate(0)):
+                raise RuntimeError(f"target_mol does not contain the expected reactant.")
+        else:
+            rxn = self.rxn
     
         # Get adjacent_mol's reacting part that contains adjacent_required_atom_index
         if adjacent_mol is not None:
-            hit = self._check_and_map_adjacent_mol(adjacent_mol, adjacent_required_atom_index)
+            if not self._check_adjacent_mol(adjacent_mol, adjacent_required_atom_index):
+                print("!!! FALL BACK for ADJ MOL !!!")
+                adjacent_smartsmol = remove_unmapped_atoms_from_mol(self.adjacent_smartsmol)
+            else:
+                adjacent_smartsmol = self.adjacent_smartsmol
+            hits = adjacent_mol.GetSubstructMatches(adjacent_smartsmol)
+            if len(hits) == 0:
+                    raise RuntimeError(f"adjacent_mol doesn't contain adjacent_smartsmol.")
+            elif len(hits) > 1:
+                raise RuntimeError(f"adjacent_mol has multiple matches for adjacent_smartsmol.") 
+            hit = hits[0]
         
+            adjacent_smartsmol_mapidx = {
+                atom.GetIntProp("molAtomMapNumber"): atom.GetIdx()
+                for atom in adjacent_smartsmol.GetAtoms() if atom.HasProp("molAtomMapNumber")
+                }
+
         # Get padded mol and index map from the rxn
-        outcomes = react_and_map((target_mol,), self.rxn)
+        outcomes = react_and_map((target_mol,), rxn)
 
         # Filter outcomes by target_required_atom_index
         if target_required_atom_index is not None:
@@ -1885,6 +1915,7 @@ def __call__(self, target_mol, adjacent_mol=None,
         if len(outcomes) == 0:
             raise RuntimeError(f"No passing outcomes")
         elif len(outcomes) > 1:
+            print([Chem.MolToSmiles(o[0]) for o in outcomes])
             raise RuntimeError(f"Multiple passing outcomes?")
         padded_mol, idxmap = outcomes[0]
 
@@ -1903,12 +1934,12 @@ def __call__(self, target_mol, adjacent_mol=None,
         else:
             # Get coordinates of existing atoms
             adjacent_coords = adjacent_mol.GetConformer().GetPositions()
-            for atom in self.adjacent_smartsmol.GetAtoms():
+            for atom in adjacent_smartsmol.GetAtoms():
                 if not atom.HasProp("molAtomMapNumber"):
                     continue
                 j = atom.GetIntProp("molAtomMapNumber")
                 k = idxmap["new_atom_label"].index(j)
-                l = self.adjacent_smartsmol_mapidx[j]
+                l = adjacent_smartsmol_mapidx[j]
                 padded_mol.GetConformer().SetAtomPosition(k, adjacent_coords[hit[l]])
             padded_mol.UpdatePropertyCache()  # avoids getNumImplicitHs() called without preceding call to calcImplicitValence()
             Chem.SanitizeMol(padded_mol)  # got crooked Hs without this
@@ -1917,7 +1948,7 @@ def __call__(self, target_mol, adjacent_mol=None,
             )
         return padded_h, mapidx
     
-    def _check_and_map_adjacent_mol(self, adjacent_mol, adjacent_required_atom_index):
+    def _check_adjacent_mol(self, adjacent_mol, adjacent_required_atom_index):
         """
         Ensure adjacent_mol contains self.adjacent_smartsmol, and 
         there's exactly one match that includes atom with adjacent_required_atom_index
@@ -1928,38 +1959,19 @@ def _check_and_map_adjacent_mol(self, adjacent_mol, adjacent_required_atom_index
         hits = adjacent_mol.GetSubstructMatches(self.adjacent_smartsmol)
         if adjacent_required_atom_index is not None:
             hits = [hit for hit in hits if adjacent_required_atom_index in hit]
-            if len(hits) == 0:
-                print("!!! FALL BACK for ADJ MOL !!!")
-                self.adjacent_smartsmol = remove_unmapped_atoms_from_mol(self.adjacent_smartsmol)
-                hits = adjacent_mol.GetSubstructMatches(self.adjacent_smartsmol)
-                hits = [hit for hit in hits if adjacent_required_atom_index in hit]
-                if len(hits) == 0:
-                    raise RuntimeError(f"adjacent_mol doesn't contain adjacent_smartsmol.")
-                elif len(hits) > 1:
-                    raise RuntimeError(f"adjacent_mol has multiple matches for adjacent_smartsmol.")
-            elif len(hits) > 1:
-                raise RuntimeError(f"adjacent_mol has multiple matches for adjacent_smartsmol.")   
-
-        self.adjacent_smartsmol_mapidx = {
-            atom.GetIntProp("molAtomMapNumber"): atom.GetIdx()
-            for atom in self.adjacent_smartsmol.GetAtoms() if atom.HasProp("molAtomMapNumber")
-        }
-
-        return hits[0]
+            if len(hits) > 1:
+                raise RuntimeError(f"adjacent_mol has multiple matches for adjacent_smartsmol.")  
+            elif len(hits) == 0:
+                return False
+        return True
     
     def _check_target_mol(self, target_mol):
         """Ensure target_mol contains self.rxn's reactant"""
-    
         # Assumes single reactant
         if target_mol.GetSubstructMatches(self.rxn.GetReactantTemplate(0)):
-            return
+            return True
         else:
-            print("!!! FALL BACK for TAR MOL !!!")
-            self.rxn = remove_unmapped_atoms_from_reaction(self.rxn)
-            if target_mol.GetSubstructMatches(self.rxn.GetReactantTemplate(0)):
-                return
-            else:
-                raise RuntimeError(f"target_mol does not contain the expected reactant.")
+            return False
 
     @classmethod
     def from_json(cls, string):

From dc8ef7e585be4429d1e7289ccddf6dc3317b2941 Mon Sep 17 00:00:00 2001
From: Amy He <ayhe1768@gmail.com>
Date: Thu, 3 Oct 2024 14:59:10 -0700
Subject: [PATCH 030/166] move fallback logics to else

---
 meeko/linked_rdkit_chorizo.py | 26 +++++++++++++++++++-------
 1 file changed, 19 insertions(+), 7 deletions(-)

diff --git a/meeko/linked_rdkit_chorizo.py b/meeko/linked_rdkit_chorizo.py
index e00d52f4..ea867a20 100644
--- a/meeko/linked_rdkit_chorizo.py
+++ b/meeko/linked_rdkit_chorizo.py
@@ -1818,6 +1818,16 @@ def __init__(self, rxn_smarts, adjacent_res_smarts=None):
 
         # Ensure adjacent_res_smarts is None or a valid SMARTS        
         self.adjacent_smartsmol = self._initialize_adj_smartsmol(adjacent_res_smarts)
+
+        # Fill in adjacent_smartsmol_mapidx
+        if self.adjacent_smartsmol is None:
+            self.adjacent_smartsmol_mapidx = None
+        else:
+            self.adjacent_smartsmol_mapidx = {}
+            for atom in self.adjacent_smartsmol.GetAtoms():
+                if atom.HasProp("molAtomMapNumber"):
+                    j = atom.GetIntProp("molAtomMapNumber")
+                    self.adjacent_smartsmol_mapidx[j] = atom.GetIdx()
         
         # Ensure the atom mapping numbers are the same in adjacent_smartsmol and rxn_smarts's product
         is_ok, padding_ids, adjacent_ids = self._check_adj_smarts(self.rxn, self.adjacent_smartsmol)
@@ -1874,20 +1884,21 @@ def __call__(self, target_mol, adjacent_mol=None,
         # labels have been checked upstream
 
         # Ensure target_mol contains self.rxn's reactant
-        if not self._check_target_mol(target_mol):
+        if self._check_target_mol(target_mol):
+            rxn = self.rxn
+        else:
+            print("!!! FALL BACK for TAR MOL !!!")
             rxn = remove_unmapped_atoms_from_reaction(self.rxn)
             if not target_mol.GetSubstructMatches(rxn.GetReactantTemplate(0)):
                 raise RuntimeError(f"target_mol does not contain the expected reactant.")
-        else:
-            rxn = self.rxn
-    
+        
         # Get adjacent_mol's reacting part that contains adjacent_required_atom_index
         if adjacent_mol is not None:
-            if not self._check_adjacent_mol(adjacent_mol, adjacent_required_atom_index):
+            if self._check_adjacent_mol(adjacent_mol, adjacent_required_atom_index):
+                adjacent_smartsmol = self.adjacent_smartsmol
+            else:
                 print("!!! FALL BACK for ADJ MOL !!!")
                 adjacent_smartsmol = remove_unmapped_atoms_from_mol(self.adjacent_smartsmol)
-            else:
-                adjacent_smartsmol = self.adjacent_smartsmol
             hits = adjacent_mol.GetSubstructMatches(adjacent_smartsmol)
             if len(hits) == 0:
                     raise RuntimeError(f"adjacent_mol doesn't contain adjacent_smartsmol.")
@@ -1899,6 +1910,7 @@ def __call__(self, target_mol, adjacent_mol=None,
                 atom.GetIntProp("molAtomMapNumber"): atom.GetIdx()
                 for atom in adjacent_smartsmol.GetAtoms() if atom.HasProp("molAtomMapNumber")
                 }
+            print("adjacent_smartsmol_mapidx:", adjacent_smartsmol_mapidx)
 
         # Get padded mol and index map from the rxn
         outcomes = react_and_map((target_mol,), rxn)

From 9b8fccb86aedfbd85463f07a50922cc1b1cbdb27 Mon Sep 17 00:00:00 2001
From: Amy He <ayhe1768@gmail.com>
Date: Thu, 3 Oct 2024 15:40:45 -0700
Subject: [PATCH 031/166] check padded_mol WIP

---
 meeko/linked_rdkit_chorizo.py | 28 +++++++++++++++++++---------
 1 file changed, 19 insertions(+), 9 deletions(-)

diff --git a/meeko/linked_rdkit_chorizo.py b/meeko/linked_rdkit_chorizo.py
index ea867a20..2ea35eb4 100644
--- a/meeko/linked_rdkit_chorizo.py
+++ b/meeko/linked_rdkit_chorizo.py
@@ -1212,13 +1212,13 @@ def _build_padded_mols(residues, bonds, padders):
                     adjacent_resname = residues[adjacent_rid].input_resname
                 
                 print(link_label, residue_id, residue.input_resname, adjacent_rid, adjacent_resname)
-                print("padded_mol:", Chem.MolToSmiles(padded_mol))
                 print("rxn smarts:", rdChemReactions.ReactionToSmarts(padders[link_label].rxn))
-
-                # XXX
+                print("BEFORE:", Chem.MolToSmiles(padded_mol))
                 padded_mol, mapidx = padders[link_label](
                     padded_mol, adjacent_mol, atom_index, adjacent_atom_index
                 )
+                print("AFTER:", Chem.MolToSmiles(padded_mol))
+                # XXX
 
                 tmp = {}
                 for i, j in enumerate(mapidx):
@@ -1253,6 +1253,8 @@ def _build_padded_mols(residues, bonds, padders):
                 # can invert chirality in 3D positions
 
             padded_mols[residue_id] = (padded_mol, mapidx_pad)
+            Chem.MolToMolFile(padded_mol, f"/Users/amyhe/Downloads/{residue_id}.sdf")
+                
 
         # verify that all bonds resulted in padding
         err_msg = ""
@@ -1778,13 +1780,16 @@ def from_json(cls, json_string):
 
 class ResiduePadder:
     """
-    Data and methods to pad rdkit molecules of chorizo residues with parts of adjacent residues.
+    A class for padding RDKit molecules of residues with parts from adjacent residues.
 
     Attributes
     ----------
-    rxn:
-    adjacent_smartsmol:
-    adjacent_smartsmol_mapidx:
+    rxn : rdChemReactions.ChemicalReaction
+        The reaction SMARTS object used for padding.
+    adjacent_smartsmol : Chem.Mol
+        SMARTS molecule of adjacent residues to copy atom positions from.
+    adjacent_smartsmol_mapidx : list
+        Index mapping between product atoms and adjacent residue atoms.
     """
 
     # Replacing ResidueConnection by ResiduePadding
@@ -1798,15 +1803,17 @@ class ResiduePadder:
 
     def __init__(self, rxn_smarts, adjacent_res_smarts=None): 
         """
+        Initialize the ResiduePadder with reaction SMARTS and optional adjacent residue SMARTS.
+
         Parameters
         ----------
-        rxn_smarts: string
+        rxn_smarts: str
             Reaction SMARTS to pad a link atom of a ChorizoResidue molecule.
             Product atoms that are not mapped in the reactants will have
             their coordinates set from an adjacent residue molecule, given
             that adjacent_res_smarts is provided and the atom labels match
             the unmapped product atoms of rxn_smarts.
-        adjacent_res_smarts: string
+        adjacent_res_smarts: str
             SMARTS pattern to identify atoms in molecule of adjacent residue
             and copy their positions to padding atoms. The SMARTS atom labels
             must match those of the product atoms of rxn_smarts that are
@@ -1930,11 +1937,13 @@ def __call__(self, target_mol, adjacent_mol=None,
             print([Chem.MolToSmiles(o[0]) for o in outcomes])
             raise RuntimeError(f"Multiple passing outcomes?")
         padded_mol, idxmap = outcomes[0]
+        print(idxmap["atom_idx"])
 
         padding_heavy_atoms = [
             i for i, j in enumerate(idxmap["atom_idx"])
             if j is None and padded_mol.GetAtomWithIdx(i).GetAtomicNum() != 1
         ]
+        print("padding_heavy_atoms:", padding_heavy_atoms)
         mapidx = idxmap["atom_idx"]
 
         # Add Hs to padded_mol and update mapidx
@@ -1952,6 +1961,7 @@ def __call__(self, target_mol, adjacent_mol=None,
                 j = atom.GetIntProp("molAtomMapNumber")
                 k = idxmap["new_atom_label"].index(j)
                 l = adjacent_smartsmol_mapidx[j]
+                print(k, adjacent_coords[hit[l]])
                 padded_mol.GetConformer().SetAtomPosition(k, adjacent_coords[hit[l]])
             padded_mol.UpdatePropertyCache()  # avoids getNumImplicitHs() called without preceding call to calcImplicitValence()
             Chem.SanitizeMol(padded_mol)  # got crooked Hs without this

From be15363976fa13b0843eb1a1c74ca3b6a38aea4c Mon Sep 17 00:00:00 2001
From: Amy He <ayhe1768@gmail.com>
Date: Thu, 3 Oct 2024 16:51:05 -0700
Subject: [PATCH 032/166] tar mol fallback logic WIP

---
 meeko/linked_rdkit_chorizo.py | 14 +++++---------
 meeko/utils/rdkitutils.py     | 19 ++++++++++++++++++-
 2 files changed, 23 insertions(+), 10 deletions(-)

diff --git a/meeko/linked_rdkit_chorizo.py b/meeko/linked_rdkit_chorizo.py
index 2ea35eb4..0db2b62b 100644
--- a/meeko/linked_rdkit_chorizo.py
+++ b/meeko/linked_rdkit_chorizo.py
@@ -657,6 +657,8 @@ def __init__(
             residue = self.residues[residue_id]
             residue.padded_mol = padded_mol
             residue.molsetup_mapidx = mapidx_from_pad
+            print(residue_id, residue.input_resname, Chem.MolToSmiles(padded_mol))
+            Chem.MolToMolFile(padded_mol, f"/Users/amyhe/Downloads/{residue_id}.sdf")
 
         if mk_prep is not None:
             self.parameterize(mk_prep)
@@ -1212,13 +1214,9 @@ def _build_padded_mols(residues, bonds, padders):
                     adjacent_resname = residues[adjacent_rid].input_resname
                 
                 print(link_label, residue_id, residue.input_resname, adjacent_rid, adjacent_resname)
-                print("rxn smarts:", rdChemReactions.ReactionToSmarts(padders[link_label].rxn))
-                print("BEFORE:", Chem.MolToSmiles(padded_mol))
                 padded_mol, mapidx = padders[link_label](
                     padded_mol, adjacent_mol, atom_index, adjacent_atom_index
                 )
-                print("AFTER:", Chem.MolToSmiles(padded_mol))
-                # XXX
 
                 tmp = {}
                 for i, j in enumerate(mapidx):
@@ -1253,7 +1251,7 @@ def _build_padded_mols(residues, bonds, padders):
                 # can invert chirality in 3D positions
 
             padded_mols[residue_id] = (padded_mol, mapidx_pad)
-            Chem.MolToMolFile(padded_mol, f"/Users/amyhe/Downloads/{residue_id}.sdf")
+            # XXX
                 
 
         # verify that all bonds resulted in padding
@@ -1934,16 +1932,13 @@ def __call__(self, target_mol, adjacent_mol=None,
         if len(outcomes) == 0:
             raise RuntimeError(f"No passing outcomes")
         elif len(outcomes) > 1:
-            print([Chem.MolToSmiles(o[0]) for o in outcomes])
             raise RuntimeError(f"Multiple passing outcomes?")
         padded_mol, idxmap = outcomes[0]
-        print(idxmap["atom_idx"])
 
         padding_heavy_atoms = [
             i for i, j in enumerate(idxmap["atom_idx"])
             if j is None and padded_mol.GetAtomWithIdx(i).GetAtomicNum() != 1
         ]
-        print("padding_heavy_atoms:", padding_heavy_atoms)
         mapidx = idxmap["atom_idx"]
 
         # Add Hs to padded_mol and update mapidx
@@ -1961,13 +1956,14 @@ def __call__(self, target_mol, adjacent_mol=None,
                 j = atom.GetIntProp("molAtomMapNumber")
                 k = idxmap["new_atom_label"].index(j)
                 l = adjacent_smartsmol_mapidx[j]
-                print(k, adjacent_coords[hit[l]])
                 padded_mol.GetConformer().SetAtomPosition(k, adjacent_coords[hit[l]])
             padded_mol.UpdatePropertyCache()  # avoids getNumImplicitHs() called without preceding call to calcImplicitValence()
             Chem.SanitizeMol(padded_mol)  # got crooked Hs without this
             padded_h = Chem.AddHs(
                 padded_mol, onlyOnAtoms=padding_heavy_atoms, addCoords=True
             )
+        print(Chem.MolToSmiles(padded_h))
+        print("mapidx:", mapidx)
         return padded_h, mapidx
     
     def _check_adjacent_mol(self, adjacent_mol, adjacent_required_atom_index):
diff --git a/meeko/utils/rdkitutils.py b/meeko/utils/rdkitutils.py
index 3416faa3..b1807474 100644
--- a/meeko/utils/rdkitutils.py
+++ b/meeko/utils/rdkitutils.py
@@ -92,7 +92,24 @@ def __next__(self):
 
 
 def react_and_map(reactants: tuple[Chem.Mol], rxn: rdChemReactions.ChemicalReaction):
-    """run reaction and keep track of atom indices from reagents to products"""
+    """
+    Run a reaction and keep track of atom indices from reactants to products.
+    
+    Parameters
+    ----------
+    reactants : tuple[Chem.Mol]
+        A tuple of RDKit molecule objects representing the reactants.
+    rxn : rdChemReactions.ChemicalReaction
+        The RDKit reaction object.
+        
+    Returns
+    -------
+    list[tuple[Chem.Mol, dict[str, list[Optional[int]]]]]
+        A list of tuples where each tuple contains a product molecule and a dictionary.
+        The dictionary has keys 'atom_idx' and 'new_atom_label', which are lists:
+        - 'atom_idx' maps the product atoms to their corresponding reactant atom indices (if applicable).
+        - 'new_atom_label' maps the product atoms to their reaction mapping numbers for newly added atoms.
+    """
 
     # Prepare for multiple possible outcomes resulted from multiple matched reactive sites in reactant
     outcomes = []

From 03a075cc401bd6909c117454c075b4bd0b6e092c Mon Sep 17 00:00:00 2001
From: Amy He <ayhe1768@gmail.com>
Date: Thu, 3 Oct 2024 18:56:56 -0700
Subject: [PATCH 033/166] sync chem templates

---
 meeko/data/residue_chem_templates.json | 1318 ++++++++++++++----------
 1 file changed, 758 insertions(+), 560 deletions(-)

diff --git a/meeko/data/residue_chem_templates.json b/meeko/data/residue_chem_templates.json
index e40bd493..2be38d2c 100644
--- a/meeko/data/residue_chem_templates.json
+++ b/meeko/data/residue_chem_templates.json
@@ -1,574 +1,772 @@
 {
-    "ambiguous": {
-	"G": ["G", "G-5endPO4", "G-3endOH", "G-5endOH"],
-	"A": ["A", "A-5endPO4"],
-	"C": ["C", "C-5endPO4", "C-5endOH"],
-	"U": ["U", "U-5endPO4"],
-	"HIS": ["HIE", "HID", "HIP", "NHIE", "NHID", "NHIP", "CHIE", "CHID", "CHIP"],
-    	"CYS": ["CYS", "CYX", "CYX-", "NCYS", "NCYX", "NCYX-", "CCYS", "CCYX", "CCYX-"],
-    	"CYX": [       "CYX", "CYX-",         "NCYX", "NCYX-",         "CCYX", "CCYX-"],
-    	"CYM": [              "CYX-",                 "NCYX-",                 "CCYX-"],
-    	"ASP": ["ASP", "NASP", "CASP", "ASH", "CASH", "NASH"],
-    	"ASH": ["ASH", "NASH", "CASH"],
-    	"GLU": ["GLU", "NGLU", "CGLU", "GLH", "NGLH", "CGLH"],
-    	"GLH": ["GLH", "NGLH", "CGLH"],
-    	"PHE": ["PHE", "NPHE", "CPHE"],
-    	"GLY": ["GLY", "NGLY", "CGLY"],
-    	"ILE": ["ILE", "NILE", "CILE"],
-    	"LYS": ["LYS", "NLYS", "CLYS", "LYN", "NLYN", "CLYN"],
-    	"LYN": ["LYN", "NLYN", "CLYN"],
-    	"LEU": ["LEU", "NLEU", "CLEU"],
-    	"MET": ["MET", "NMET", "CMET"],
-    	"ASN": ["ASN", "NASN", "CASN"],
-    	"PRO": ["PRO", "NPRO", "CPRO"],
-    	"GLN": ["GLN", "NGLN", "CGLN"],
-    	"ARG": ["ARG", "NARG", "CARG"],
-    	"SER": ["SER", "NSER", "CSER"],
-    	"THR": ["THR", "NTHR", "CTHR"],
-    	"VAL": ["VAL", "NVAL", "CVAL"],
-    	"TRP": ["TRP", "NTRP", "CTRP"],
-    	"TYR": ["TYR", "NTYR", "CTYR"]
-    },
+	"ambiguous": {
+		"A": ["A", "A3", "A5p", "A5"],
+		"U": ["U", "U3", "U5p", "U5"],
+		"C": ["C", "C3", "C5p", "C5"],
+		"G": ["G", "G3", "G5p", "G5"],
+		"DA": ["DA", "DA3", "DA5p", "DA5"],
+		"DT": ["DT", "DT3", "DT5p", "DT5"],
+		"DC": ["DC", "DC3", "DC5p", "DC5"],
+		"DG": ["DG", "DG3", "DG5p", "DG5"],
+		"HIS": ["HIE", "HID", "HIP", "NHIE", "NHID", "NHIP", "CHIE", "CHID", "CHIP"],
+		"CYS": ["CYS", "CYX", "CYX-", "NCYS", "NCYX", "NCYX-", "CCYS", "CCYX", "CCYX-"],
+		"CYX": [       "CYX", "CYX-",         "NCYX", "NCYX-",         "CCYX", "CCYX-"],
+		"CYM": [              "CYX-",                 "NCYX-",                 "CCYX-"],
+		"ASP": ["ASP", "NASP", "CASP", "ASH", "CASH", "NASH"],
+		"ASH": ["ASH", "NASH", "CASH"],
+		"GLU": ["GLU", "NGLU", "CGLU", "GLH", "NGLH", "CGLH"],
+		"GLH": ["GLH", "NGLH", "CGLH"],
+		"PHE": ["PHE", "NPHE", "CPHE"],
+		"GLY": ["GLY", "NGLY", "CGLY"],
+		"ILE": ["ILE", "NILE", "CILE"],
+		"LYS": ["LYS", "NLYS", "CLYS", "LYN", "NLYN", "CLYN"],
+		"LYN": ["LYN", "NLYN", "CLYN"],
+		"LEU": ["LEU", "NLEU", "CLEU"],
+		"MET": ["MET", "NMET", "CMET"],
+		"ASN": ["ASN", "NASN", "CASN"],
+		"PRO": ["PRO", "NPRO", "CPRO"],
+		"GLN": ["GLN", "NGLN", "CGLN"],
+		"ARG": ["ARG", "NARG", "CARG"],
+		"SER": ["SER", "NSER", "CSER"],
+		"THR": ["THR", "NTHR", "CTHR"],
+		"VAL": ["VAL", "NVAL", "CVAL"],
+		"TRP": ["TRP", "NTRP", "CTRP"],
+		"TYR": ["TYR", "NTYR", "CTYR"]
+	},
 
-    "padders": {
+	"padders": {
 	"5-prime": {
-	    "rxn_smarts": "[PX4h1:1]>>[P:1][O:11][C:12]",
-	    "adjacent_res_smarts": "[O+0X2h1:11][CX4:12]1CC(n)[OX2]C1"
+		"rxn_smarts": "[PX4h1:1]>>[P:1][O:11][C:12]",
+		"adjacent_res_smarts": "[O+0X2h1:11][CX4:12]1CC(n)[OX2]C1"
 	},
 	"3-prime": {
-	    "rxn_smarts": "[O+0X2h1:1][CX4:2]>>[O:1]([C:2])[P:11]([O-:12])(=[O:13])[O:14][C:15]",
-	    "adjacent_res_smarts": "[PX4h1:11]([O-:12])(=[O:13])[O:14][C:15]"
+		"rxn_smarts": "[O+0X2h1:1][CX4:2]>>[O:1]([C:2])[P:11]([O-:12])(=[O:13])[O:14][C:15]",
+		"adjacent_res_smarts": "[PX4h1:11]([O-:12])(=[O:13])[O:14][C:15]"
 	},
 	"N-term": {
-	    "rxn_smarts": "[C](=[O])[C:3][N:4]>>[C](=[O])[C:3][N:4][C:11](=[O:12])[C:13]",
-	    "adjacent_res_smarts": "[CX3h1:11](=[O:12])[C:13][N]"
+		"rxn_smarts": "[C:1](=[O:2])[C:3][N:4]>>[C:1](=[O:2])[C:3][N:4][C:11](=[O:12])[C:13]",
+		"adjacent_res_smarts": "[C:11](=[O:12])[C:13][N]"
 	},
 	"C-term": {
-	    "rxn_smarts": "[C:1](=[O:2])[C:3][N:4]>>[C:11][N:12][C:1](=[O:2])[C:3][N:4]",
-	    "adjacent_res_smarts": "[C](=[O])[C:11][NX3h1:12]"
+		"rxn_smarts": "[C:1](=[O:2])[C:3][N:4]>>[C:11][N:12][C:1](=[O:2])[C:3][N:4]",
+		"adjacent_res_smarts": "[C](=O)[C:11][N:12]"
 	},
 	"dissulfide": {
-	    "rxn_smarts": "[C:1][S:2]>>[C:1][S:2][S:11][C:12]",
-	    "adjacent_res_smarts": "[S:11][C:12]"
+		"rxn_smarts": "[C:1][S:2]>>[C:1][S:2][S:11][C:12]",
+		"adjacent_res_smarts": "[S:11][C:12]"
 	}
-    },
-
-    "residue_templates": {
-    	"NME": {
-    	    "smiles": "C([H])([H])([H])N[H]",
-    	    "atom_name": ["CH3", "HH31", "HH32", "HH33", "N", "H"],
-    	    "link_labels": {"4": "N-term"}
-    	},
-    	"ACE": {
-    	    "smiles": "C(=O)C([H])([H])[H]",
-    	    "atom_name": ["C", "O", "CH3", "H1", "H2", "H3"],
-    	    "link_labels": {"0": "C-term"}
-    	},
-	"MG": {
-	    "smiles": "[Mg+2]",
-	    "link_labels": {},
-	    "atom_name": ["MG"]
-	},
-	"MN": {
-	    "smiles": "[Mn+2]",
-	    "link_labels": {},
-	    "atom_name": ["MN"]
-	},
-	"ZN": {
-	    "smiles": "[Zn+2]",
-	    "link_labels": {},
-	    "atom_name": ["ZN"]
-	},
-	"HOH": {
-	    "smiles": "O([H])[H]",
-	    "link_labels": {},
-	    "atom_name": ["OW", "HW1", "HW2"]
-	},
-	"G": {
-	    "smiles": "O=P([O-])OC([H])([H])C([H])(C1([H])O)OC([H])(C1([H])O([H]))N2C([H])=NC3=C2N=C(N([H])[H])N([H])C3=O",
-	    "link_labels": {"1": "5-prime", "11": "3-prime"},
-	    "atom_name": ["OP1", "P", "OP2", "O5'", "C5'", "H5'", "H5''", "C4'", "H4'", "C3'", "H3'", "O3'", "O4'", "C1'", "H1'", "C2'", "H2'", "O2'", "HO2'",
-                          "N9", "C8", "H8", "N7", "C5", "C4", "N3", "C2", "N2", "H21", "H22", "N1", "H1", "C6", "O6"]
-	},
-	"DG": {
-	    "smiles": "O=P([O-])OC([H])([H])C([H])(C1([H])O)OC([H])(C1([H])[H])N2C([H])=NC3=C2N=C(N([H])[H])N([H])C3=O",
-	    "link_labels": {"1": "5-prime", "11": "3-prime"},
-	    "atom_name": ["OP1", "P", "OP2", "O5'", "C5'", "H5'", "H5''", "C4'", "H4'", "C3'", "H3'", "O3'", "O4'", "C1'", "H1'", "C2'", "H2'", "H2''",
-                          "N9", "C8", "H8", "N7", "C5", "C4", "N3", "C2", "N2", "H21", "H22", "N1", "H1", "C6", "O6"]
-	},
-	"A": {
-	    "smiles": "O=P([O-])OC([H])([H])C([H])(C1([H])O)OC([H])(C1([H])O([H]))N2C([H])=NC3=C2N=C([H])N=C3N([H])[H]",
-	    "link_labels": {"1": "5-prime", "11": "3-prime"},
-	    "atom_name": ["OP1", "P", "OP2", "O5'", "C5'", "H5'", "H5''", "C4'", "H4'", "C3'", "H3'", "O3'", "O4'", "C1'", "H1'", "C2'", "H2'", "O2'", "HO2'",
-                      "N9", "C8", "H8", "N7", "C5", "C4", "N3", "C2", "H2", "N1", "C6", "N6", "H61", "H62"]
-	},
-	"DA": {
-	    "smiles": "O=P([O-])OC([H])([H])C([H])(C1([H])O)OC([H])(C1([H])[H])N2C([H])=NC3=C2N=C([H])N=C3N([H])[H]",
-	    "link_labels": {"1": "5-prime", "11": "3-prime"},
-	    "atom_name": ["OP1", "P", "OP2", "O5'", "C5'", "H5'", "H5''", "C4'", "H4'", "C3'", "H3'", "O3'", "O4'", "C1'", "H1'", "C2'", "H2'", "H2''",
-                          "N9", "C8", "H8", "N7", "C5", "C4", "N3", "C2", "H2", "N1", "C6", "N6", "H61", "H62"]
-	},
-	"C": {
-	    "smiles": "O=P([O-])OC([H])([H])C([H])(C1([H])O)OC([H])(C1([H])O([H]))N2C([H])=C([H])C(N([H])[H])=NC2=O",
-	    "link_labels": {"1": "5-prime", "11": "3-prime"},
-	    "atom_name": ["OP1", "P", "OP2", "O5'", "C5'", "H5'", "H5''", "C4'", "H4'", "C3'", "H3'", "O3'", "O4'", "C1'", "H1'", "C2'", "H2'", "O2'", "HO2'",
-                     "N1", "C6", "H6", "C5", "H5", "C4", "N4", "H41", "H42", "N3", "C2", "O2"]
-	},
-	"DC": {
-	    "smiles": "O=P([O-])OC([H])([H])C([H])(C1([H])O)OC([H])(C1([H])[H])N2C([H])=C([H])C(N([H])[H])=NC2=O",
-	    "link_labels": {"1": "5-prime", "11": "3-prime"},
-	    "atom_name": ["OP1", "P", "OP2", "O5'", "C5'", "H5'", "H5''", "C4'", "H4'", "C3'", "H3'", "O3'", "O4'", "C1'", "H1'", "C2'", "H2'", "H2''",
-                      "N1", "C6", "H6", "C5", "H5", "C4", "N4", "H41", "H42", "N3", "C2", "O2"]
-	},
-	"U": {
-	    "smiles": "O=P([O-])OC([H])([H])C([H])(C1([H])O)OC([H])(C1([H])O([H]))N2C([H])=C([H])C(=O)N([H])C2=O",
-	    "link_labels": {"1": "5-prime", "11": "3-prime"},
-	    "atom_name": ["OP1", "P", "OP2", "O5'", "C5'", "H5'", "H5''", "C4'", "H4'", "C3'", "H3'", "O3'", "O4'", "C1'", "H1'", "C2'", "H2'", "O2'", "HO2'",
-                      "N1", "C6", "H6", "C5", "H5", "C4", "O4", "N3", "H3", "C2", "O2"]
-	},
-	"DT": {
-	    "smiles": "O=P([O-])OC([H])([H])C([H])(C1([H])O)OC([H])(C1([H])[H])N2C([H])=C(C([H])([H])[H])C(=O)N([H])C2=O",
-	    "link_labels": {"1": "5-prime", "11": "3-prime"},
-	    "atom_name": ["OP1", "P", "OP2", "O5'", "C5'", "H5'", "H5''", "C4'", "H4'", "C3'", "H3'", "O3'", "O4'", "C1'", "H1'", "C2'", "H2'", "H2''",
-                      "N1", "C6", "H6", "C5", "C7", "H71", "H72", "H73", "C4", "O4", "N3", "H3", "C2", "O2"]
 	},
 
-	"G-5endPO4": {
-	    "smiles": "O=P([O-])(O[H])OC([H])([H])C([H])(C1([H])O)OC([H])(C1([H])O([H]))N2C([H])=NC3=C2N=C(N([H])[H])N([H])C3=O",
-	    "link_labels": {"13": "3-prime"}
-	},
-	"G-3endOH": {
-	    "smiles": "O=P([O-])OC([H])([H])C([H])(C1([H])O[H])OC([H])(C1([H])O([H]))N2C([H])=NC3=C2N=C(N([H])[H])N([H])C3=O",
-	    "link_labels": {"1": "5-prime"}
-	},
-	"G-5endOH": {
-	    "smiles": "O([H])C([H])([H])C([H])(C1([H])O)OC([H])(C1([H])O([H]))N2C([H])=NC3=C2N=C(N([H])[H])N([H])C3=O",
-	    "link_labels": {"9": "3-prime"},
-	    "atom_name": ["O5'", "HO5'", "C5'", "H5'", "H5''", "C4'", "H4'", "C3'", "H3'", "O3'", "O4'", "C1'", "H1'", "C2'", "H2'", "O2'", "HO2'",
-                          "N9", "C8", "H8", "N7", "C5", "C4", "N3", "C2", "N2", "H21", "H22", "N1", "H1", "C6", "O6"]
-	},
-	"A-5endPO4": {
-	    "smiles": "O=P([O-])(O[H])OC([H])([H])C([H])(C1([H])O)OC([H])(C1([H])O([H]))N2C([H])=NC3=C2N=C([H])N=C3N([H])[H]",
-	    "link_labels": {"13": "3-prime"}
-	},
-	"C-5endPO4": {
-	    "smiles": "O=P([O-])(O[H])OC([H])([H])C([H])(C1([H])O)OC([H])(C1([H])O([H]))N2C([H])=C([H])C(N([H])[H])=NC2=O",
-	    "link_labels": {"13": "3-prime"}
-	},
-	"C-5endOH": {
-	    "smiles": "O([H])C([H])([H])C([H])(C1([H])O)OC([H])(C1([H])O([H]))N2C([H])=C([H])C(N([H])[H])=NC2=O",
-	    "link_labels": {"9": "3-prime"},
-	    "atom_name": ["O5'", "HO5'", "C5'", "H5'", "H5''", "C4'", "H4'", "C3'", "H3'", "O3'", "O4'", "C1'", "H1'", "C2'", "H2'", "O2'", "HO2'",
-                     "N1", "C6", "H6", "C5", "H5", "C4", "N4", "H41", "H42", "N3", "C2", "O2"]
-	},
-	"U-5endPO4": {
-	    "smiles": "O=P([O-])(O[H])OC([H])([H])C([H])(C1([H])O)OC([H])(C1([H])O([H]))N2C([H])=C([H])C(=O)N([H])C2=O",
-	    "link_labels": {"13": "3-prime"}
-	},
-    	"ALA": {
-    	    "smiles": "C(=O)C([H])(N[H])C([H])([H])[H]",
-    	    "atom_name": ["C", "O", "CA", "HA", "N", "H", "CB", "HB1", "HB2", "HB3"],
-    	    "link_labels": {"0": "C-term", "4": "N-term"}
-    	},
-    	"CYS": {
-    	    "smiles": "C(=O)C([H])(N[H])C([H])([H])S[H]",
-    	    "atom_name": ["C", "O", "CA", "HA", "N", "H", "CB", "HB2", "HB3", "SG", "HG"],
-    	    "link_labels": {"0": "C-term", "4": "N-term"}
-    	},
-    	"CYX": {
-    	    "smiles": "C(=O)C([H])(N[H])C([H])([H])S",
-    	    "atom_name": ["C", "O", "CA", "HA", "N", "H", "CB", "HB2", "HB3", "SG"],
-    	    "link_labels": {"0": "C-term", "4": "N-term", "9": "dissulfide"}
-    	},
-    	"CYX-": {
-    	    "smiles": "C(=O)C([H])(N[H])C([H])([H])[S-]",
-    	    "atom_name": ["C", "O", "CA", "HA", "N", "H", "CB", "HB2", "HB3", "SG"],
-    	    "link_labels": {"0": "C-term", "4": "N-term"}
-    	},
-    	"ASP": {
-    	    "smiles": "C(=O)C([H])(N[H])C([H])([H])C(=O)[O-]",
-    	    "atom_name": ["C", "O", "CA", "HA", "N", "H", "CB", "HB2", "HB3", "CG", "OD1", "OD2"],
-    	    "link_labels": {"0": "C-term", "4": "N-term"}
-    	},
-    	"ASH": {
-    	    "smiles": "C(=O)C([H])(N[H])C([H])([H])C(=O)O[H]",
-    	    "atom_name": ["C", "O", "CA", "HA", "N", "H", "CB", "HB2", "HB3", "CG", "OD1", "OD2", "HD2"],
-    	    "link_labels": {"0": "C-term", "4": "N-term"}
-    	},
-    	"GLU": {
-    	    "smiles": "C(=O)C([H])(N[H])C([H])([H])C([H])([H])C(=O)[O-]",
-    	    "atom_name": ["C", "O", "CA", "HA", "N", "H", "CB", "HB2", "HB3", "CG", "HG2", "HG3", "CD", "OE1", "OE2"],
-    	    "link_labels": {"0": "C-term", "4": "N-term"}
-    	},
-    	"GLH": {
-    	    "smiles": "C(=O)C([H])(N[H])C([H])([H])C([H])([H])C(=O)O[H]",
-    	    "atom_name": ["C", "O", "CA", "HA", "N", "H", "CB", "HB2", "HB3", "CG", "HG2", "HG3", "CD", "OE1", "OE2", "HE2"],
-    	    "link_labels": {"0": "C-term", "4": "N-term"}
-    	},
-    	"PHE": {
-    	    "smiles": "C(=O)C([H])(N[H])C([H])([H])c1c([H])c([H])c([H])c([H])c1[H]",
-    	    "atom_name": ["C", "O", "CA", "HA", "N", "H", "CB", "HB2", "HB3", "CG", "CD1", "HD1", "CE1", "HE1", "CZ", "HZ", "CE2", "HE2", "CD2", "HD2"],
-    	    "link_labels": {"0": "C-term", "4": "N-term"}
-    	},
-    	"GLY": {
-    	    "smiles": "C(=O)C([H])(N[H])[H]",
-    	    "atom_name": ["C", "O", "CA", "HA2", "N", "H", "HA3"],
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-    	    "atom_name": ["OXT", "C", "O", "CA", "HA", "N", "H", "CB", "HB2", "HB3", "CG", "OD1", "OD2"],
-    	    "link_labels": {"5": "N-term"}
-    	},
-    	"CASH": {
-    	    "smiles": "[O-]C(=O)C([H])(N[H])C([H])([H])C(=O)O[H]",
-    	    "atom_name": ["OXT", "C", "O", "CA", "HA", "N", "H", "CB", "HB2", "HB3", "CG", "OD1", "OD2", "HD2"],
-    	    "link_labels": {"5": "N-term"}
-    	},
-    	"CGLU": {
-    	    "smiles": "[O-]C(=O)C([H])(N[H])C([H])([H])C([H])([H])C(=O)[O-]",
-    	    "atom_name": ["OXT", "C", "O", "CA", "HA", "N", "H", "CB", "HB2", "HB3", "CG", "HG2", "HG3", "CD", "OE1", "OE2"],
-    	    "link_labels": {"5": "N-term"}
-    	},
-    	"CGLH": {
-    	    "smiles": "[O-]C(=O)C([H])(N[H])C([H])([H])C([H])([H])C(=O)O[H]",
-    	    "atom_name": ["OXT", "C", "O", "CA", "HA", "N", "H", "CB", "HB2", "HB3", "CG", "HG2", "HG3", "CD", "OE1", "OE2", "HE2"],
-    	    "link_labels": {"5": "N-term"}
-    	},
-    	"CPHE": {
-    	    "smiles": "[O-]C(=O)C([H])(N[H])C([H])([H])c1c([H])c([H])c([H])c([H])c1[H]",
-    	    "atom_name": ["OXT", "C", "O", "CA", "HA", "N", "H", "CB", "HB2", "HB3", "CG", "CD1", "HD1", "CE1", "HE1", "CZ", "HZ", "CE2", "HE2", "CD2", "HD2"],
-    	    "link_labels": {"5": "N-term"}
-    	},
-    	"CGLY": {
-    	    "smiles": "[O-]C(=O)C([H])(N[H])[H]",
-    	    "atom_name": ["OXT", "C", "O", "CA", "HA2", "N", "H", "HA3"],
-    	    "link_labels": {"5": "N-term"}
-    	},
-    	"CHIE": {
-    	    "smiles": "[O-]C(=O)C([H])(N[H])C([H])([H])c1nc([H])n([H])c1[H]",
-    	    "atom_name": ["OXT", "C", "O", "CA", "HA", "N", "H", "CB", "HB2", "HB3", "CG", "ND1", "CE1", "HE1", "NE2", "HE2", "CD2", "HD2"],
-    	    "link_labels": {"5": "N-term"}
-    	},
-    	"CHID": {
-    	    "smiles": "[O-]C(=O)C([H])(N[H])C([H])([H])c1n([H])c([H])nc1[H]",
-    	    "atom_name": ["OXT", "C", "O", "CA", "HA", "N", "H", "CB", "HB2", "HB3", "CG", "ND1", "HD1", "CE1", "HE1", "NE2", "CD2", "HD2"],
-    	    "link_labels": {"5": "N-term"}
-    	},
-    	"CHIP": {
-    	    "smiles": "[O-]C(=O)C([H])(N[H])C([H])([H])c1n([H])c([H])[n+]([H])c1[H]",
-    	    "atom_name": ["OXT", "C", "O", "CA", "HA", "N", "H", "CB", "HB2", "HB3", "CG", "ND1", "HD1", "CE1", "HE1", "NE2", "HE2", "CD2", "HD2"],
-    	    "link_labels": {"5": "N-term"}
-    	},
-    	"CILE": {
-    	    "smiles": "[O-]C(=O)C([H])(N[H])C([H])(C([H])([H])[H])C([H])([H])C([H])([H])[H]",
-    	    "atom_name": ["OXT", "C", "O", "CA", "HA", "N", "H", "CB", "HB", "CG2", "HG21", "HG22", "HG23", "CG1", "HG12", "HG13", "CD1", "HD11", "HD12", "HD13"],
-    	    "link_labels": {"5": "N-term"}
-    	},
-    	"CLYS": {
-    	    "smiles": "[O-]C(=O)C([H])(N[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[N+]([H])([H])[H]",
-    	    "atom_name": ["OXT", "C", "O", "CA", "HA", "N", "H", "CB", "HB3", "HB2", "CG", "HG2", "HG3", "CD", "HD2", "HD3", "CE", "HE2", "HE3", "NZ", "HZ1", "HZ2", "HZ3"],
-    	    "link_labels": {"5": "N-term"}
-    	},
-    	"CLYN": {
-    	    "smiles": "[O-]C(=O)C([H])(N[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])N([H])[H]",
-    	    "atom_name": ["OXT", "C", "O", "CA", "HA", "N", "H", "CB", "HB3", "HB2", "CG", "HG2", "HG3", "CD", "HD2", "HD3", "CE", "HE2", "HE3", "NZ", "HZ2", "HZ3"],
-    	    "link_labels": {"5": "N-term"}
-    	},
-    	"CLEU": {
-    	    "smiles": "[O-]C(=O)C([H])(N[H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H]",
-    	    "atom_name": ["OXT", "C", "O", "CA", "HA", "N", "H", "CB", "HB2", "HB3", "CG", "HG", "CD1", "HD11", "HD12", "HD13", "CD2", "HD21", "HD22", "HD23"],
-    	    "link_labels": {"5": "N-term"}
-    	},
-    	"CMET": {
-    	    "smiles": "[O-]C(=O)C([H])(N[H])C([H])([H])C([H])([H])SC([H])([H])[H]",
-    	    "atom_name": ["OXT", "C", "O", "CA", "HA", "N", "H", "CB", "HB3", "HB2", "CG", "HG2", "HG3", "SD", "CE", "HE1", "HE2", "HE3"],
-    	    "link_labels": {"5": "N-term"}
-    	},
-    	"CASN": {
-    	    "smiles": "[O-]C(=O)C([H])(N[H])C([H])([H])C(=O)N([H])[H]",
-    	    "atom_name": ["OXT", "C", "O", "CA", "HA", "N", "H", "CB", "HB2", "HB3", "CG", "OD1", "ND2", "HD22", "HD21"],
-    	    "link_labels": {"5": "N-term"}
-    	},
-    	"CGLN": {
-    	    "smiles": "[O-]C(=O)C([H])(N[H])C([H])([H])C([H])([H])C(=O)N([H])[H]",
-    	    "atom_name": ["OXT", "C", "O", "CA", "HA", "N", "H", "CB", "HB2", "HB3", "CG", "HG2", "HG3", "CD", "OE1", "NE2", "HE22", "HE21"],
-    	    "link_labels": {"5": "N-term"}
-    	},
-    	"CARG": {
-    	    "smiles": "[O-]C(=O)C([H])(N[H])C([H])([H])C([H])([H])C([H])([H])N([H])C(=[N+]([H])[H])N([H])[H]",
-    	    "atom_name": ["OXT", "C", "O", "CA", "HA", "N", "H", "CB", "HB3", "HB2", "CG", "HG2", "HG3", "CD", "HD2", "HD3", "NE", "HE", "CZ", "NH1", "HH12", "HH11", "NH2", "HH22", "HH21"],
-    	    "link_labels": {"5": "N-term"}
-    	},
-    	"CSER": {
-    	    "smiles": "[O-]C(=O)C([H])(N[H])C([H])([H])O[H]",
-    	    "atom_name": ["OXT", "C", "O", "CA", "HA", "N", "H", "CB", "HB2", "HB3", "OG", "HG"],
-    	    "link_labels": {"5": "N-term"}
-    	},
-    	"CTHR": {
-    	    "smiles": "[O-]C(=O)C([H])(N[H])C([H])(C([H])([H])[H])O[H]",
-    	    "atom_name": ["OXT", "C", "O", "CA", "HA", "N", "H", "CB", "HB", "CG2", "HG21", "HG22", "HG23", "OG1", "HG1"],
-    	    "link_labels": {"5": "N-term"}
-    	},
-    	"CVAL": {
-    	    "smiles": "[O-]C(=O)C([H])(N[H])C([H])(C([H])([H])[H])C([H])([H])[H]",
-    	    "atom_name": ["OXT", "C", "O", "CA", "HA", "N", "H", "CB", "HB", "CG1", "HG11", "HG12", "HG13", "CG2", "HG21", "HG22", "HG23"],
-    	    "link_labels": {"5": "N-term"}
-    	},
-    	"CTRP": {
-    	    "smiles": "[O-]C(=O)C([H])(N[H])C([H])([H])c1c([H])n([H])c2c1c([H])c([H])c([H])c2[H]",
-    	    "atom_name": ["OXT", "C", "O", "CA", "HA", "N", "H", "CB", "HB2", "HB3", "CG", "CD1", "HD1", "NE1", "HE1", "CE2", "CD2", "CE3", "HE3", "CZ3", "HZ3", "CH2", "HH2", "CZ2", "HZ2"],
-    	    "link_labels": {"5": "N-term"}
-    	},
-    	"CTYR": {
-    	    "smiles": "[O-]C(=O)C([H])(N[H])C([H])([H])c1c([H])c([H])c(O[H])c([H])c1[H]",
-    	    "atom_name": ["OXT", "C", "O", "CA", "HA", "N", "H", "CB", "HB2", "HB3", "CG", "CD1", "HD1", "CE1", "HE1", "CZ", "OH", "HH", "CE2", "HE2", "CD2", "HD2"],
-    	    "link_labels": {"5": "N-term"}
-    	},
-    	"CPRO": {
-    	    "smiles": "[O-]C(=O)C([H])(N1)C([H])([H])C([H])([H])C1([H])[H]",
-    	    "atom_name": ["OXT", "C", "O", "CA", "HA", "N", "CB", "HB3", "HB2", "CG", "HG2", "HG3", "CD", "HD2", "HD3"],
-    	    "link_labels": {"5": "N-term"}
-    	}
-    }
-}
+	"residue_templates": {
+		"NME": {
+			"smiles": "C([H])([H])([H])N[H]",
+			"atom_name": ["CH3", "HH31", "HH32", "HH33", "N", "H"],
+			"link_labels": {"4": "N-term"}
+		},
+		"ACE": {
+			"smiles": "C(=O)C([H])([H])[H]",
+			"atom_name": ["C", "O", "CH3", "H1", "H2", "H3"],
+			"link_labels": {"0": "C-term"}
+		},
+		"F": {
+			"smiles": "[F-]",
+			"atom_name": ["F"],
+			"link_labels": {}
+			},
+		"MG": {
+			"smiles": "[Mg+2]",
+			"atom_name": ["MG"],
+			"link_labels": {}
+		},
+		"CL": {
+			"smiles": "[Cl-]",
+			"atom_name": ["CL"],
+			"link_labels": {}
+		},
+		"CA": {
+			"smiles": "[Ca+2]",
+			"atom_name": ["CA"],
+			"link_labels": {}
+		},
+		"MN": {
+			"smiles": "[Mn+2]",
+			"atom_name": ["MN"],
+			"link_labels": {}
+		},
+		"FE": {
+			"smiles": "[Fe+3]",
+			"atom_name": ["FE"],
+			"link_labels": {}
+		},
+		"ZN": {
+			"smiles": "[Zn+2]",
+			"link_labels": {},
+			"atom_name": ["ZN"]
+		},
+		"BR": {
+			"smiles": "[Br-]",
+			"atom_name": ["BR"],
+			"link_labels": {}
+		},
+		"I": {
+			"smiles": "[I-]",
+			"atom_name": ["I"],
+			"link_labels": {}
+		},
+		"HOH": {
+			"smiles": "O([H])[H]",
+			"atom_name": ["OW", "HW1", "HW2"],
+			"link_labels": {}
+		},
+		"p": {
+			"smiles": "P(=O)([O-])[O-]",
+			"atom_name": [ "P", "OP1", "OP2", "OP3"],
+			"link_labels": {"0": "5-prime"}
+		},
+		"A_": {
+			"smiles": "[H]OC1([H])C([H])(N2C([H])=NC3=C2N=C([H])N=C3N([H])[H])OC([H])(C([H])([H])OP(=O)([O-])[O-])C1([H])O[H]",
+			"atom_name": ["HO2'", "O2'", "C2'", "H2'", "C1'", "H1'", "N9", "C8", "H8", "N7", "C5", "C4", "N3", "C2", "H2", "N1", "C6", "N6", "H61", "H62", "O4'", "C4'", "H4'", "C5'", "H5'", "H5''", "O5'", "P", "OP1", "OP3", "OP2", "C3'", "H3'", "O3'", "HO3'"],
+			"link_labels": {}
+		},
+		"A": {
+			"smiles": "[H]OC1([H])C([H])(N2C([H])=NC3=C2N=C([H])N=C3N([H])[H])OC([H])(C([H])([H])OP(=O)[O-])C1([H])O",
+			"atom_name": ["HO2'", "O2'", "C2'", "H2'", "C1'", "H1'", "N9", "C8", "H8", "N7", "C5", "C4", "N3", "C2", "H2", "N1", "C6", "N6", "H61", "H62", "O4'", "C4'", "H4'", "C5'", "H5'", "H5''", "O5'", "P", "OP1", "OP2", "C3'", "H3'", "O3'"],
+			"link_labels": {"27": "5-prime", "32": "3-prime"}
+		},
+		"A3": {
+			"smiles": "[H]OC1([H])C([H])(N2C([H])=NC3=C2N=C([H])N=C3N([H])[H])OC([H])(C([H])([H])OP(=O)[O-])C1([H])O[H]",
+			"atom_name": ["HO2'", "O2'", "C2'", "H2'", "C1'", "H1'", "N9", "C8", "H8", "N7", "C5", "C4", "N3", "C2", "H2", "N1", "C6", "N6", "H61", "H62", "O4'", "C4'", "H4'", "C5'", "H5'", "H5''", "O5'", "P", "OP1", "OP2", "C3'", "H3'", "O3'", "HO3'"],
+			"link_labels": {"27": "5-prime"}
+		},
+		"A5p": {
+			"smiles": "[H]OC1([H])C([H])(N2C([H])=NC3=C2N=C([H])N=C3N([H])[H])OC([H])(C([H])([H])OP(=O)([O-])[O-])C1([H])O",
+			"atom_name": ["HO2'", "O2'", "C2'", "H2'", "C1'", "H1'", "N9", "C8", "H8", "N7", "C5", "C4", "N3", "C2", "H2", "N1", "C6", "N6", "H61", "H62", "O4'", "C4'", "H4'", "C5'", "H5'", "H5''", "O5'", "P", "OP1", "OP3", "OP2", "C3'", "H3'", "O3'"],
+			"link_labels": {"33": "3-prime"}
+		},
+		"AN": {
+			"smiles": "[H]OC([H])([H])C1([H])OC([H])(N2C([H])=NC3=C2N=C([H])N=C3N([H])[H])C([H])(O[H])C1([H])O[H]",
+			"atom_name": ["HO5'", "O5'", "C5'", "H5'", "H5''", "C4'", "H4'", "O4'", "C1'", "H1'", "N9", "C8", "H8", "N7", "C5", "C4", "N3", "C2", "H2", "N1", "C6", "N6", "H61", "H62", "C2'", "H2'", "O2'", "HO2'", "C3'", "H3'", "O3'", "HO3'"],
+			"link_labels": {}
+		},
+		"A5": {
+			"smiles": "[H]OC([H])([H])C1([H])OC([H])(N2C([H])=NC3=C2N=C([H])N=C3N([H])[H])C([H])(O[H])C1([H])O",
+			"atom_name": ["HO5'", "O5'", "C5'", "H5'", "H5''", "C4'", "H4'", "O4'", "C1'", "H1'", "N9", "C8", "H8", "N7", "C5", "C4", "N3", "C2", "H2", "N1", "C6", "N6", "H61", "H62", "C2'", "H2'", "O2'", "HO2'", "C3'", "H3'", "O3'"],
+			"link_labels": {"30": "3-prime"}
+		},
+		"U_": {
+			"smiles": "[H]OC1([H])C([H])(N2C(=O)N([H])C(=O)C([H])=C2[H])OC([H])(C([H])([H])OP(=O)([O-])[O-])C1([H])O[H]",
+			"atom_name": ["HO2'", "O2'", "C2'", "H2'", "C1'", "H1'", "N1", "C2", "O2", "N3", "H3", "C4", "O4", "C5", "H5", "C6", "H6", "O4'", "C4'", "H4'", "C5'", "H5'", "H5''", "O5'", "P", "OP1", "OP3", "OP2", "C3'", "H3'", "O3'", "HO3'"],
+			"link_labels": {}
+		},
+		"U": {
+			"smiles": "[H]OC1([H])C([H])(N2C(=O)N([H])C(=O)C([H])=C2[H])OC([H])(C([H])([H])OP(=O)[O-])C1([H])O",
+			"atom_name": ["HO2'", "O2'", "C2'", "H2'", "C1'", "H1'", "N1", "C2", "O2", "N3", "H3", "C4", "O4", "C5", "H5", "C6", "H6", "O4'", "C4'", "H4'", "C5'", "H5'", "H5''", "O5'", "P", "OP1", "OP2", "C3'", "H3'", "O3'"],
+			"link_labels": {"24": "5-prime", "29": "3-prime"}
+		},
+		"U3": {
+			"smiles": "[H]OC1([H])C([H])(N2C(=O)N([H])C(=O)C([H])=C2[H])OC([H])(C([H])([H])OP(=O)[O-])C1([H])O[H]",
+			"atom_name": ["HO2'", "O2'", "C2'", "H2'", "C1'", "H1'", "N1", "C2", "O2", "N3", "H3", "C4", "O4", "C5", "H5", "C6", "H6", "O4'", "C4'", "H4'", "C5'", "H5'", "H5''", "O5'", "P", "OP1", "OP2", "C3'", "H3'", "O3'", "HO3'"],
+			"link_labels": {"24": "5-prime"}
+		},
+		"U5p": {
+			"smiles": "[H]OC1([H])C([H])(N2C(=O)N([H])C(=O)C([H])=C2[H])OC([H])(C([H])([H])OP(=O)([O-])[O-])C1([H])O",
+			"atom_name": ["HO2'", "O2'", "C2'", "H2'", "C1'", "H1'", "N1", "C2", "O2", "N3", "H3", "C4", "O4", "C5", "H5", "C6", "H6", "O4'", "C4'", "H4'", "C5'", "H5'", "H5''", "O5'", "P", "OP1", "OP3", "OP2", "C3'", "H3'", "O3'"],
+			"link_labels": {"30": "3-prime"}
+		},
+		"UN": {
+			"smiles": "[H]OC([H])([H])C1([H])OC([H])(N2C(=O)N([H])C(=O)C([H])=C2[H])C([H])(O[H])C1([H])O[H]",
+			"atom_name": ["HO5'", "O5'", "C5'", "H5'", "H5''", "C4'", "H4'", "O4'", "C1'", "H1'", "N1", "C2", "O2", "N3", "H3", "C4", "O4", "C5", "H5", "C6", "H6", "C2'", "H2'", "O2'", "HO2'", "C3'", "H3'", "O3'", "HO3'"],
+			"link_labels": {}
+		},
+		"U5": {
+			"smiles": "[H]OC([H])([H])C1([H])OC([H])(N2C(=O)N([H])C(=O)C([H])=C2[H])C([H])(O[H])C1([H])O",
+			"atom_name": ["HO5'", "O5'", "C5'", "H5'", "H5''", "C4'", "H4'", "O4'", "C1'", "H1'", "N1", "C2", "O2", "N3", "H3", "C4", "O4", "C5", "H5", "C6", "H6", "C2'", "H2'", "O2'", "HO2'", "C3'", "H3'", "O3'"],
+			"link_labels": {"27": "3-prime"}
+		},
+		"C_": {
+			"smiles": "[H]OC1([H])C([H])(N2C(=O)N=C(N([H])[H])C([H])=C2[H])OC([H])(C([H])([H])OP(=O)([O-])[O-])C1([H])O[H]",
+			"atom_name": ["HO2'", "O2'", "C2'", "H2'", "C1'", "H1'", "N1", "C2", "O2", "N3", "C4", "N4", "H41", "H42", "C5", "H5", "C6", "H6", "O4'", "C4'", "H4'", "C5'", "H5'", "H5''", "O5'", "P", "OP1", "OP3", "OP2", "C3'", "H3'", "O3'", "HO3'"],
+			"link_labels": {}
+		},
+		"C": {
+			"smiles": "[H]OC1([H])C([H])(N2C(=O)N=C(N([H])[H])C([H])=C2[H])OC([H])(C([H])([H])OP(=O)[O-])C1([H])O",
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+			"link_labels": {"25": "5-prime", "30": "3-prime"}
+		},
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+			"link_labels": {"25": "5-prime"}
+		},
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+			"link_labels": {"31": "3-prime"}
+		},
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+			"link_labels": {}
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+			"link_labels": {"28": "3-prime"}
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+			"link_labels": {}
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+			"link_labels": {"28": "5-prime", "33": "3-prime"}
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+			"link_labels": {"28": "5-prime"}
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+			"link_labels": {"34": "3-prime"}
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+			"link_labels": {}
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+			"link_labels": {"31": "3-prime"}
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+			"link_labels": {}
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+			"link_labels": {"18": "5-prime", "23": "3-prime"}
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+			"link_labels": {"30": "5-prime"}
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+			"link_labels": {"24": "3-prime"}
+		},
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+			"link_labels": {}
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+			"link_labels": {"29": "3-prime"}
+		},
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+			"link_labels": {}
+		},
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+			"link_labels": {"23": "5-prime", "28": "3-prime"}
+		},
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+			"link_labels": {"30": "5-prime"}
+		},
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+			"link_labels": {"29": "3-prime"}
+		},
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+			"atom_name": ["HO5'", "O5'", "C5'", "H5'", "H5''", "C4'", "H4'", "O4'", "C1'", "H1'", "N1", "C2", "O2", "N3", "H3", "C4", "O4", "C5", "C7", "H71", "H72", "H73", "C6", "H6", "C2'", "H2'", "H2''", "C3'", "H3'", "O3'", "HO3'"],
+			"link_labels": {}
+		},
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+			"atom_name": ["HO5'", "O5'", "C5'", "H5'", "H5''", "C4'", "H4'", "O4'", "C1'", "H1'", "N1", "C2", "O2", "N3", "H3", "C4", "O4", "C5", "C7", "H71", "H72", "H73", "C6", "H6", "C2'", "H2'", "H2''", "C3'", "H3'", "O3'"],
+			"link_labels": {"29": "3-prime"}
+		},
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+			"link_labels": {}
+		},
+		"DC": {
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+			"atom_name": ["H5", "C5", "C6", "H6", "N1", "C1'", "H1'", "O4'", "C4'", "H4'", "C5'", "H5'", "H5''", "O5'", "P", "OP1", "OP2", "C3'", "H3'", "O3'", "C2'", "H2'", "H2''", "C2", "O2", "N3", "C4", "N4", "H41", "H42"],
+			"link_labels": {"14": "5-prime", "19": "3-prime"}
+		},
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+			"atom_name": ["HO3'", "O3'", "C3'", "H3'", "C2'", "H2'", "H2''", "C1'", "H1'", "N1", "C2", "O2", "N3", "C4", "N4", "H41", "H42", "C5", "H5", "C6", "H6", "O4'", "C4'", "H4'", "C5'", "H5'", "H5''", "O5'", "P", "OP1", "OP2"],
+			"link_labels": {"28": "5-prime"}
+		},
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+			"link_labels": {"20": "3-prime"}
+		},
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+			"link_labels": {}
+		},
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+			"link_labels": {"27": "3-prime"}
+		},
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+			"atom_name": ["HO3'", "O3'", "C3'", "H3'", "C2'", "H2'", "H2''", "C1'", "H1'", "N9", "C8", "H8", "N7", "C5", "C4", "N3", "C2", "N2", "H21", "H22", "N1", "H1", "C6", "O6", "O4'", "C4'", "H4'", "C5'", "H5'", "H5''", "O5'", "P", "OP1", "OP3", "OP2"],
+			"link_labels": {}
+		},
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+			"link_labels": {"0": "C-term"}
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+		},
+		"NLYN": {
+			"smiles": "C(=O)C([H])([N+]([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])N([H])[H]",
+			"atom_name": ["C", "O", "CA", "HA", "N", "H1", "H2", "H3", "CB", "HB3", "HB2", "CG", "HG2", "HG3", "CD", "HD2", "HD3", "CE", "HE2", "HE3", "NZ", "HZ2", "HZ3"],
+			"link_labels": {"0": "C-term"}
+		},
+		"NLEU": {
+			"smiles": "C(=O)C([H])([N+]([H])([H])[H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H]",
+			"atom_name": ["C", "O", "CA", "HA", "N", "H1", "H2", "H3", "CB", "HB2", "HB3", "CG", "HG", "CD1", "HD11", "HD12", "HD13", "CD2", "HD21", "HD22", "HD23"],
+			"link_labels": {"0": "C-term"}
+		},
+		"NMET": {
+			"smiles": "C(=O)C([H])([N+]([H])([H])[H])C([H])([H])C([H])([H])SC([H])([H])[H]",
+			"atom_name": ["C", "O", "CA", "HA", "N", "H1", "H2", "H3", "CB", "HB3", "HB2", "CG", "HG2", "HG3", "SD", "CE", "HE1", "HE2", "HE3"],
+			"link_labels": {"0": "C-term"}
+		},
+		"NASN": {
+			"smiles": "C(=O)C([H])([N+]([H])([H])[H])C([H])([H])C(=O)N([H])[H]",
+			"atom_name": ["C", "O", "CA", "HA", "N", "H1", "H2", "H3", "CB", "HB2", "HB3", "CG", "OD1", "ND2", "HD22", "HD21"],
+			"link_labels": {"0": "C-term"}
+		},
+		"NGLN": {
+			"smiles": "C(=O)C([H])([N+]([H])([H])[H])C([H])([H])C([H])([H])C(=O)N([H])[H]",
+			"atom_name": ["C", "O", "CA", "HA", "N", "H1", "H2", "H3", "CB", "HB2", "HB3", "CG", "HG2", "HG3", "CD", "OE1", "NE2", "HE22", "HE21"],
+			"link_labels": {"0": "C-term"}
+		},
+		"NARG": {
+			"smiles": "C(=O)C([H])([N+]([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])N([H])C(=[N+]([H])[H])N([H])[H]",
+			"atom_name": ["C", "O", "CA", "HA", "N", "H1", "H2", "H3", "CB", "HB3", "HB2", "CG", "HG2", "HG3", "CD", "HD2", "HD3", "NE", "HE", "CZ", "NH1", "HH12", "HH11", "NH2", "HH22", "HH21"],
+			"link_labels": {"0": "C-term"}
+		},
+		"NSER": {
+			"smiles": "C(=O)C([H])([N+]([H])([H])[H])C([H])([H])O[H]",
+			"atom_name": ["C", "O", "CA", "HA", "N", "H1", "H2", "H3", "CB", "HB2", "HB3", "OG", "HG"],
+			"link_labels": {"0": "C-term"}
+		},
+		"NTHR": {
+			"smiles": "C(=O)C([H])([N+]([H])([H])[H])C([H])(C([H])([H])[H])O[H]",
+			"atom_name": ["C", "O", "CA", "HA", "N", "H1", "H2", "H3", "CB", "HB", "CG2", "HG21", "HG22", "HG23", "OG1", "HG1"],
+			"link_labels": {"0": "C-term"}
+		},
+		"NVAL": {
+			"smiles": "C(=O)C([H])([N+]([H])([H])[H])C([H])(C([H])([H])[H])C([H])([H])[H]",
+			"atom_name": ["C", "O", "CA", "HA", "N", "H1", "H2", "H3", "CB", "HB", "CG1", "HG11", "HG12", "HG13", "CG2", "HG21", "HG22", "HG23"],
+			"link_labels": {"0": "C-term"}
+		},
+		"NTRP": {
+			"smiles": "C(=O)C([H])([N+]([H])([H])[H])C([H])([H])c1c([H])n([H])c2c1c([H])c([H])c([H])c2[H]",
+			"atom_name": ["C", "O", "CA", "HA", "N", "H1", "H2", "H3", "CB", "HB2", "HB3", "CG", "CD1", "HD1", "NE1", "HE1", "CE2", "CD2", "CE3", "HE3", "CZ3", "HZ3", "CH2", "HH2", "CZ2", "HZ2"],
+			"link_labels": {"0": "C-term"}
+		},
+		"NTYR": {
+			"smiles": "C(=O)C([H])([N+]([H])([H])[H])C([H])([H])c1c([H])c([H])c(O[H])c([H])c1[H]",
+			"atom_name": ["C", "O", "CA", "HA", "N", "H1", "H2", "H3", "CB", "HB2", "HB3", "CG", "CD1", "HD1", "CE1", "HE1", "CZ", "OH", "HH", "CE2", "HE2", "CD2", "HD2"],
+			"link_labels": {"0": "C-term"}
+		},
+		"CALA": {
+			"smiles": "[O-]C(=O)C([H])(N[H])C([H])([H])[H]",
+			"atom_name": ["OXT", "C", "O", "CA", "HA", "N", "H", "CB", "HB1", "HB2", "HB3"],
+			"link_labels": {"5": "N-term"}
+		},
+		"CCYS": {
+			"smiles": "[O-]C(=O)C([H])(N[H])C([H])([H])S[H]",
+			"atom_name": ["OXT", "C", "O", "CA", "HA", "N", "H", "CB", "HB2", "HB3", "SG", "HG"],
+			"link_labels": {"5": "N-term"}
+		},
+		"CCYX": {
+			"smiles": "[O-]C(=O)C([H])(N[H])C([H])([H])S",
+			"atom_name": ["OXT", "C", "O", "CA", "HA", "N", "H", "CB", "HB2", "HB3", "SG"],
+			"link_labels": {"5": "N-term", "10": "dissulfide"}
+		},
+		"CCYX-": {
+			"smiles": "[O-]C(=O)C([H])(N[H])C([H])([H])[S-]",
+			"atom_name": ["OXT", "C", "O", "CA", "HA", "N", "H", "CB", "HB2", "HB3", "SG"],
+			"link_labels": {"5": "N-term"}
+		},
+		"CASP": {
+			"smiles": "[O-]C(=O)C([H])(N[H])C([H])([H])C(=O)[O-]",
+			"atom_name": ["OXT", "C", "O", "CA", "HA", "N", "H", "CB", "HB2", "HB3", "CG", "OD1", "OD2"],
+			"link_labels": {"5": "N-term"}
+		},
+		"CASH": {
+			"smiles": "[O-]C(=O)C([H])(N[H])C([H])([H])C(=O)O[H]",
+			"atom_name": ["OXT", "C", "O", "CA", "HA", "N", "H", "CB", "HB2", "HB3", "CG", "OD1", "OD2", "HD2"],
+			"link_labels": {"5": "N-term"}
+		},
+		"CGLU": {
+			"smiles": "[O-]C(=O)C([H])(N[H])C([H])([H])C([H])([H])C(=O)[O-]",
+			"atom_name": ["OXT", "C", "O", "CA", "HA", "N", "H", "CB", "HB2", "HB3", "CG", "HG2", "HG3", "CD", "OE1", "OE2"],
+			"link_labels": {"5": "N-term"}
+		},
+		"CGLH": {
+			"smiles": "[O-]C(=O)C([H])(N[H])C([H])([H])C([H])([H])C(=O)O[H]",
+			"atom_name": ["OXT", "C", "O", "CA", "HA", "N", "H", "CB", "HB2", "HB3", "CG", "HG2", "HG3", "CD", "OE1", "OE2", "HE2"],
+			"link_labels": {"5": "N-term"}
+		},
+		"CPHE": {
+			"smiles": "[O-]C(=O)C([H])(N[H])C([H])([H])c1c([H])c([H])c([H])c([H])c1[H]",
+			"atom_name": ["OXT", "C", "O", "CA", "HA", "N", "H", "CB", "HB2", "HB3", "CG", "CD1", "HD1", "CE1", "HE1", "CZ", "HZ", "CE2", "HE2", "CD2", "HD2"],
+			"link_labels": {"5": "N-term"}
+		},
+		"CGLY": {
+			"smiles": "[O-]C(=O)C([H])(N[H])[H]",
+			"atom_name": ["OXT", "C", "O", "CA", "HA2", "N", "H", "HA3"],
+			"link_labels": {"5": "N-term"}
+		},
+		"CHIE": {
+			"smiles": "[O-]C(=O)C([H])(N[H])C([H])([H])c1nc([H])n([H])c1[H]",
+			"atom_name": ["OXT", "C", "O", "CA", "HA", "N", "H", "CB", "HB2", "HB3", "CG", "ND1", "CE1", "HE1", "NE2", "HE2", "CD2", "HD2"],
+			"link_labels": {"5": "N-term"}
+		},
+		"CHID": {
+			"smiles": "[O-]C(=O)C([H])(N[H])C([H])([H])c1n([H])c([H])nc1[H]",
+			"atom_name": ["OXT", "C", "O", "CA", "HA", "N", "H", "CB", "HB2", "HB3", "CG", "ND1", "HD1", "CE1", "HE1", "NE2", "CD2", "HD2"],
+			"link_labels": {"5": "N-term"}
+		},
+		"CHIP": {
+			"smiles": "[O-]C(=O)C([H])(N[H])C([H])([H])c1n([H])c([H])[n+]([H])c1[H]",
+			"atom_name": ["OXT", "C", "O", "CA", "HA", "N", "H", "CB", "HB2", "HB3", "CG", "ND1", "HD1", "CE1", "HE1", "NE2", "HE2", "CD2", "HD2"],
+			"link_labels": {"5": "N-term"}
+		},
+		"CILE": {
+			"smiles": "[O-]C(=O)C([H])(N[H])C([H])(C([H])([H])[H])C([H])([H])C([H])([H])[H]",
+			"atom_name": ["OXT", "C", "O", "CA", "HA", "N", "H", "CB", "HB", "CG2", "HG21", "HG22", "HG23", "CG1", "HG12", "HG13", "CD1", "HD11", "HD12", "HD13"],
+			"link_labels": {"5": "N-term"}
+		},
+		"CLYS": {
+			"smiles": "[O-]C(=O)C([H])(N[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[N+]([H])([H])[H]",
+			"atom_name": ["OXT", "C", "O", "CA", "HA", "N", "H", "CB", "HB3", "HB2", "CG", "HG2", "HG3", "CD", "HD2", "HD3", "CE", "HE2", "HE3", "NZ", "HZ1", "HZ2", "HZ3"],
+			"link_labels": {"5": "N-term"}
+		},
+		"CLYN": {
+			"smiles": "[O-]C(=O)C([H])(N[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])N([H])[H]",
+			"atom_name": ["OXT", "C", "O", "CA", "HA", "N", "H", "CB", "HB3", "HB2", "CG", "HG2", "HG3", "CD", "HD2", "HD3", "CE", "HE2", "HE3", "NZ", "HZ2", "HZ3"],
+			"link_labels": {"5": "N-term"}
+		},
+		"CLEU": {
+			"smiles": "[O-]C(=O)C([H])(N[H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H]",
+			"atom_name": ["OXT", "C", "O", "CA", "HA", "N", "H", "CB", "HB2", "HB3", "CG", "HG", "CD1", "HD11", "HD12", "HD13", "CD2", "HD21", "HD22", "HD23"],
+			"link_labels": {"5": "N-term"}
+		},
+		"CMET": {
+			"smiles": "[O-]C(=O)C([H])(N[H])C([H])([H])C([H])([H])SC([H])([H])[H]",
+			"atom_name": ["OXT", "C", "O", "CA", "HA", "N", "H", "CB", "HB3", "HB2", "CG", "HG2", "HG3", "SD", "CE", "HE1", "HE2", "HE3"],
+			"link_labels": {"5": "N-term"}
+		},
+		"CASN": {
+			"smiles": "[O-]C(=O)C([H])(N[H])C([H])([H])C(=O)N([H])[H]",
+			"atom_name": ["OXT", "C", "O", "CA", "HA", "N", "H", "CB", "HB2", "HB3", "CG", "OD1", "ND2", "HD22", "HD21"],
+			"link_labels": {"5": "N-term"}
+		},
+		"CGLN": {
+			"smiles": "[O-]C(=O)C([H])(N[H])C([H])([H])C([H])([H])C(=O)N([H])[H]",
+			"atom_name": ["OXT", "C", "O", "CA", "HA", "N", "H", "CB", "HB2", "HB3", "CG", "HG2", "HG3", "CD", "OE1", "NE2", "HE22", "HE21"],
+			"link_labels": {"5": "N-term"}
+		},
+		"CARG": {
+			"smiles": "[O-]C(=O)C([H])(N[H])C([H])([H])C([H])([H])C([H])([H])N([H])C(=[N+]([H])[H])N([H])[H]",
+			"atom_name": ["OXT", "C", "O", "CA", "HA", "N", "H", "CB", "HB3", "HB2", "CG", "HG2", "HG3", "CD", "HD2", "HD3", "NE", "HE", "CZ", "NH1", "HH12", "HH11", "NH2", "HH22", "HH21"],
+			"link_labels": {"5": "N-term"}
+		},
+		"CSER": {
+			"smiles": "[O-]C(=O)C([H])(N[H])C([H])([H])O[H]",
+			"atom_name": ["OXT", "C", "O", "CA", "HA", "N", "H", "CB", "HB2", "HB3", "OG", "HG"],
+			"link_labels": {"5": "N-term"}
+		},
+		"CTHR": {
+			"smiles": "[O-]C(=O)C([H])(N[H])C([H])(C([H])([H])[H])O[H]",
+			"atom_name": ["OXT", "C", "O", "CA", "HA", "N", "H", "CB", "HB", "CG2", "HG21", "HG22", "HG23", "OG1", "HG1"],
+			"link_labels": {"5": "N-term"}
+		},
+		"CVAL": {
+			"smiles": "[O-]C(=O)C([H])(N[H])C([H])(C([H])([H])[H])C([H])([H])[H]",
+			"atom_name": ["OXT", "C", "O", "CA", "HA", "N", "H", "CB", "HB", "CG1", "HG11", "HG12", "HG13", "CG2", "HG21", "HG22", "HG23"],
+			"link_labels": {"5": "N-term"}
+		},
+		"CTRP": {
+			"smiles": "[O-]C(=O)C([H])(N[H])C([H])([H])c1c([H])n([H])c2c1c([H])c([H])c([H])c2[H]",
+			"atom_name": ["OXT", "C", "O", "CA", "HA", "N", "H", "CB", "HB2", "HB3", "CG", "CD1", "HD1", "NE1", "HE1", "CE2", "CD2", "CE3", "HE3", "CZ3", "HZ3", "CH2", "HH2", "CZ2", "HZ2"],
+			"link_labels": {"5": "N-term"}
+		},
+		"CTYR": {
+			"smiles": "[O-]C(=O)C([H])(N[H])C([H])([H])c1c([H])c([H])c(O[H])c([H])c1[H]",
+			"atom_name": ["OXT", "C", "O", "CA", "HA", "N", "H", "CB", "HB2", "HB3", "CG", "CD1", "HD1", "CE1", "HE1", "CZ", "OH", "HH", "CE2", "HE2", "CD2", "HD2"],
+			"link_labels": {"5": "N-term"}
+		},
+		"CPRO": {
+			"smiles": "[O-]C(=O)C([H])(N1)C([H])([H])C([H])([H])C1([H])[H]",
+			"atom_name": ["OXT", "C", "O", "CA", "HA", "N", "CB", "HB3", "HB2", "CG", "HG2", "HG3", "CD", "HD2", "HD3"],
+			"link_labels": {"5": "N-term"}
+		}
+	}
+}
\ No newline at end of file

From cd2e3e5bc9ee6289262136ea4a825b815bfab5b5 Mon Sep 17 00:00:00 2001
From: Amy He <ayhe1768@gmail.com>
Date: Thu, 3 Oct 2024 21:32:28 -0700
Subject: [PATCH 034/166] finished fallback logics

---
 meeko/linked_rdkit_chorizo.py | 128 +++++++++++++++++++++++++++-------
 1 file changed, 101 insertions(+), 27 deletions(-)

diff --git a/meeko/linked_rdkit_chorizo.py b/meeko/linked_rdkit_chorizo.py
index 0db2b62b..f7c18d3e 100644
--- a/meeko/linked_rdkit_chorizo.py
+++ b/meeko/linked_rdkit_chorizo.py
@@ -432,15 +432,13 @@ def _delete_residues(res_to_delete, raw_input_mols):
     for res in res_to_delete:
         if res not in raw_input_mols:
             missing.add(res)
-        raw_input_mols.pop(res)
+        raw_input_mols.pop(res, None)
     if len(missing) > 0:
         msg = "can't find the following residues to delete: " + " ".join(missing)
         raise ValueError(msg)
     return
 
 
-
-
 class ResidueChemTemplates:
     """Holds template data required to initialize LinkedRDKitChorizo
 
@@ -1867,12 +1865,6 @@ def _check_adj_smarts(rxn, adjacent_smartsmol):
         """
         Ensure the atom mapping numbers are the same in adjacent_smartsmol and rxn_smarts's product
         """
-        def get_molAtomMapNumbers(mol):
-            numbers = set()
-            for atom in mol.GetAtoms():
-                if atom.HasProp("molAtomMapNumber"):
-                    numbers.add(atom.GetIntProp("molAtomMapNumber"))
-            return numbers
 
         # Assumes single reactant and single product
         reactant_ids = get_molAtomMapNumbers(rxn.GetReactantTemplate(0))
@@ -1889,13 +1881,97 @@ def __call__(self, target_mol, adjacent_mol=None,
         # labels have been checked upstream
 
         # Ensure target_mol contains self.rxn's reactant
-        if self._check_target_mol(target_mol):
-            rxn = self.rxn
-        else:
+        rxn = self.rxn
+        
+        def _apply_atom_mappings(mcs_mol: Chem.Mol, original_mol: Chem.Mol) -> Chem.Mol:
+            """
+            Apply atom mappings from the original molecule to the MCS molecule by matching the MCS as a substructure.
+
+            Parameters
+            ----------
+            mcs_mol : Chem.Mol
+                The MCS molecule obtained from FindMCS.
+            original_mol : Chem.Mol
+                The original molecule with atom mappings.
+
+            Returns
+            -------
+            Chem.Mol
+                A new MCS molecule with atom mappings applied from the original molecule.
+            """
+            # Perform substructure match between the MCS and the original molecule
+            match = original_mol.GetSubstructMatch(mcs_mol)
+            
+            if not match:
+                raise ValueError("No substructure match found between MCS and original molecule.")
+
+            # Create an editable version of the MCS molecule
+            rw_mcs_mol = Chem.RWMol(mcs_mol)
+            
+            # Loop through the matched atoms and transfer the atom mappings from the original molecule
+            for i, mcs_atom in enumerate(rw_mcs_mol.GetAtoms()):
+                original_atom_idx = match[i]  # Get the corresponding atom index from the original molecule
+                original_atom = original_mol.GetAtomWithIdx(original_atom_idx)
+                
+                # If the original atom has a molAtomMapNumber, transfer it to the MCS atom
+                if original_atom.HasProp("molAtomMapNumber"):
+                    mcs_atom.SetProp("molAtomMapNumber", original_atom.GetProp("molAtomMapNumber"))
+            
+            return rw_mcs_mol.GetMol()
+        
+        def remove_atoms_with_mapping(product: Chem.Mol, mapping_numbers: set) -> Chem.Mol:
+            """
+            Remove atoms with specific atom mapping numbers from a molecule.
+            
+            Parameters
+            ----------
+            product : Chem.Mol
+                The product molecule from which atoms will be removed.
+            mapping_numbers : list of int
+                A list of atom mapping numbers to remove from the molecule.
+            
+            Returns
+            -------
+            Chem.Mol
+                The modified product molecule with the specified atoms removed.
+            """
+            # Convert to an editable molecule
+            editable_product = Chem.RWMol(product)
+            
+            # Find and remove atoms with the given mapping numbers
+            atoms_to_remove = []
+            
+            for atom in editable_product.GetAtoms():
+                if atom.HasProp("molAtomMapNumber"):
+                    map_num = int(atom.GetProp("molAtomMapNumber"))
+                    if map_num in mapping_numbers:
+                        atoms_to_remove.append(atom.GetIdx())
+
+            # Remove atoms (in reverse order to avoid index shift issues)
+            for idx in sorted(atoms_to_remove, reverse=True):
+                editable_product.RemoveAtom(idx)
+            
+            # Return the modified molecule
+            return editable_product.GetMol()
+
+        if not self._check_target_mol(target_mol):
             print("!!! FALL BACK for TAR MOL !!!")
-            rxn = remove_unmapped_atoms_from_reaction(self.rxn)
-            if not target_mol.GetSubstructMatches(rxn.GetReactantTemplate(0)):
+            # Assumes single reactant and single product
+            reactant_smartsmol = rxn.GetReactantTemplate(0)
+            fallback_reactant_smartsmol = Chem.MolFromSmarts(rdFMCS.FindMCS([reactant_smartsmol, target_mol]).smartsString)
+            fallback_reactant = _apply_atom_mappings(fallback_reactant_smartsmol, reactant_smartsmol)
+            
+            reactant_ids = get_molAtomMapNumbers(reactant_smartsmol)
+            fallback_reactant_ids = get_molAtomMapNumbers(fallback_reactant)
+            if target_required_atom_index not in fallback_reactant_ids: 
                 raise RuntimeError(f"target_mol does not contain the expected reactant.")
+            else:
+                skipping_ids = reactant_ids.difference(fallback_reactant_ids)
+                print(skipping_ids)
+
+                fallback_product = remove_atoms_with_mapping(rxn.GetProductTemplate(0), skipping_ids)
+                fallback_rxnsmarts = f"{Chem.MolToSmarts(fallback_reactant)}>>{Chem.MolToSmarts(fallback_product)}"
+                rxn = rdChemReactions.ReactionFromSmarts(fallback_rxnsmarts)
         
         # Get adjacent_mol's reacting part that contains adjacent_required_atom_index
         if adjacent_mol is not None:
@@ -1915,7 +1991,6 @@ def __call__(self, target_mol, adjacent_mol=None,
                 atom.GetIntProp("molAtomMapNumber"): atom.GetIdx()
                 for atom in adjacent_smartsmol.GetAtoms() if atom.HasProp("molAtomMapNumber")
                 }
-            print("adjacent_smartsmol_mapidx:", adjacent_smartsmol_mapidx)
 
         # Get padded mol and index map from the rxn
         outcomes = react_and_map((target_mol,), rxn)
@@ -1962,8 +2037,7 @@ def __call__(self, target_mol, adjacent_mol=None,
             padded_h = Chem.AddHs(
                 padded_mol, onlyOnAtoms=padding_heavy_atoms, addCoords=True
             )
-        print(Chem.MolToSmiles(padded_h))
-        print("mapidx:", mapidx)
+
         return padded_h, mapidx
     
     def _check_adjacent_mol(self, adjacent_mol, adjacent_required_atom_index):
@@ -2000,6 +2074,14 @@ def to_json(self):
         return json.dumps(self, default=lambda o: o.__dict__)
 
 
+def get_molAtomMapNumbers(mol):
+    numbers = set()
+    for atom in mol.GetAtoms():
+        if atom.HasProp("molAtomMapNumber"):
+            numbers.add(atom.GetIntProp("molAtomMapNumber"))
+    return numbers
+
+
 def remove_unmapped_atoms_from_mol(mol):
     """Remove unmapped atoms from a molecule."""
     # Get all atoms and their mapping numbers
@@ -2013,17 +2095,9 @@ def remove_unmapped_atoms_from_mol(mol):
         mol = Chem.RWMol(mol)
         for idx in sorted(atoms_to_remove, reverse=True):
             mol.RemoveAtom(idx)
+        mol = mol.GetMol()
 
-    return mol.GetMol()
-
-def remove_unmapped_atoms_from_reaction(reaction):
-    """Remove unmapped atoms from both reactants and products in a reaction SMARTS."""
-    # Assumes single reactant and single product
-    reactant = remove_unmapped_atoms_from_mol(reaction.GetReactantTemplate(0))
-    product = remove_unmapped_atoms_from_mol(reaction.GetProductTemplate(0))
-    rxn_smarts = f"{Chem.MolToSmarts(reactant)}>>{Chem.MolToSmarts(product)}"
- 
-    return rdChemReactions.ReactionFromSmarts(rxn_smarts)
+    return mol
 
 
 class ResidueTemplate:

From 1b0f1f88eb81d496f48ba8709f4df27c274cec83 Mon Sep 17 00:00:00 2001
From: Amy He <ayhe1768@gmail.com>
Date: Thu, 3 Oct 2024 21:41:09 -0700
Subject: [PATCH 035/166] sync chem templates

---
 meeko/data/residue_chem_templates.json | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/meeko/data/residue_chem_templates.json b/meeko/data/residue_chem_templates.json
index 2be38d2c..52e475eb 100644
--- a/meeko/data/residue_chem_templates.json
+++ b/meeko/data/residue_chem_templates.json
@@ -769,4 +769,4 @@
 			"link_labels": {"5": "N-term"}
 		}
 	}
-}
\ No newline at end of file
+}

From d8929b8bb56a857ba93e4b1980726f29aa80a50c Mon Sep 17 00:00:00 2001
From: Amy He <ayhe1768@gmail.com>
Date: Thu, 3 Oct 2024 22:10:02 -0700
Subject: [PATCH 036/166] beautify react_and_map

---
 meeko/linked_rdkit_chorizo.py | 10 +---------
 meeko/utils/rdkitutils.py     |  6 +++---
 2 files changed, 4 insertions(+), 12 deletions(-)

diff --git a/meeko/linked_rdkit_chorizo.py b/meeko/linked_rdkit_chorizo.py
index f7c18d3e..39f4506c 100644
--- a/meeko/linked_rdkit_chorizo.py
+++ b/meeko/linked_rdkit_chorizo.py
@@ -655,8 +655,6 @@ def __init__(
             residue = self.residues[residue_id]
             residue.padded_mol = padded_mol
             residue.molsetup_mapidx = mapidx_from_pad
-            print(residue_id, residue.input_resname, Chem.MolToSmiles(padded_mol))
-            Chem.MolToMolFile(padded_mol, f"/Users/amyhe/Downloads/{residue_id}.sdf")
 
         if mk_prep is not None:
             self.parameterize(mk_prep)
@@ -1192,8 +1190,7 @@ def _build_padded_mols(residues, bonds, padders):
                 atom.GetIdx(): atom.GetIdx() for atom in padded_mol.GetAtoms()
             }
             for atom_index, link_label in residue.link_labels.items():
-                # XXX
-                adjacent_rid, adjacent_resname  = [None, None]
+                adjacent_rid  = None
                 adjacent_mol = None
                 adjacent_atom_index = None
                 for (r1_id, r2_id), (i1, i2) in bonds.items():
@@ -1209,9 +1206,7 @@ def _build_padded_mols(residues, bonds, padders):
                 if adjacent_rid is not None:
                     adjacent_mol = residues[adjacent_rid].rdkit_mol
                     bond_use_count[(r1_id, r2_id)] += 1
-                    adjacent_resname = residues[adjacent_rid].input_resname
                 
-                print(link_label, residue_id, residue.input_resname, adjacent_rid, adjacent_resname)
                 padded_mol, mapidx = padders[link_label](
                     padded_mol, adjacent_mol, atom_index, adjacent_atom_index
                 )
@@ -1249,7 +1244,6 @@ def _build_padded_mols(residues, bonds, padders):
                 # can invert chirality in 3D positions
 
             padded_mols[residue_id] = (padded_mol, mapidx_pad)
-            # XXX
                 
 
         # verify that all bonds resulted in padding
@@ -1967,8 +1961,6 @@ def remove_atoms_with_mapping(product: Chem.Mol, mapping_numbers: set) -> Chem.M
                 raise RuntimeError(f"target_mol does not contain the expected reactant.")
             else:
                 skipping_ids = reactant_ids.difference(fallback_reactant_ids)
-                print(skipping_ids)
-
                 fallback_product = remove_atoms_with_mapping(rxn.GetProductTemplate(0), skipping_ids)
                 fallback_rxnsmarts = f"{Chem.MolToSmarts(fallback_reactant)}>>{Chem.MolToSmarts(fallback_product)}"
                 rxn = rdChemReactions.ReactionFromSmarts(fallback_rxnsmarts)
diff --git a/meeko/utils/rdkitutils.py b/meeko/utils/rdkitutils.py
index b1807474..10627254 100644
--- a/meeko/utils/rdkitutils.py
+++ b/meeko/utils/rdkitutils.py
@@ -106,9 +106,9 @@ def react_and_map(reactants: tuple[Chem.Mol], rxn: rdChemReactions.ChemicalReact
     -------
     list[tuple[Chem.Mol, dict[str, list[Optional[int]]]]]
         A list of tuples where each tuple contains a product molecule and a dictionary.
-        The dictionary has keys 'atom_idx' and 'new_atom_label', which are lists:
-        - 'atom_idx' maps the product atoms to their corresponding reactant atom indices (if applicable).
-        - 'new_atom_label' maps the product atoms to their reaction mapping numbers for newly added atoms.
+        The dictionary has keys 'atom_idx' and 'new_atom_label', which are ordered lists for product atoms:
+        - 'atom_idx' holds the corresponding atom indices in reactant. None for newly added atoms. 
+        - 'new_atom_label' holds the reaction mapping number, only for newly added atoms. 
     """
 
     # Prepare for multiple possible outcomes resulted from multiple matched reactive sites in reactant

From 75bad244c18da98bd09e25ba2b16aaba0c969e98 Mon Sep 17 00:00:00 2001
From: Amy He <ayhe1768@gmail.com>
Date: Thu, 3 Oct 2024 23:32:57 -0700
Subject: [PATCH 037/166] beautify class ResiduePadder and utility functions

---
 meeko/linked_rdkit_chorizo.py | 261 ++++++++++++++++------------------
 1 file changed, 122 insertions(+), 139 deletions(-)

diff --git a/meeko/linked_rdkit_chorizo.py b/meeko/linked_rdkit_chorizo.py
index 39f4506c..c6401b99 100644
--- a/meeko/linked_rdkit_chorizo.py
+++ b/meeko/linked_rdkit_chorizo.py
@@ -1775,11 +1775,11 @@ class ResiduePadder:
     Attributes
     ----------
     rxn : rdChemReactions.ChemicalReaction
-        The reaction SMARTS object used for padding.
+        Reaction SMARTS of a single-reactant, single-product reaction for padding.
     adjacent_smartsmol : Chem.Mol
-        SMARTS molecule of adjacent residues to copy atom positions from.
+        SMARTS molecule with mapping numbers to copy atom positions from part of adjacent residue.
     adjacent_smartsmol_mapidx : list
-        Index mapping between product atoms and adjacent residue atoms.
+        Mapping for atoms in adjacent_smartsmol, from mapping numbers to atom indicies. 
     """
 
     # Replacing ResidueConnection by ResiduePadding
@@ -1791,7 +1791,7 @@ class ResiduePadder:
     # reaction should not delete atoms, not even Hs
     # reaction should create bonds at non-real Hs (implicit or explicit rdktt H)
 
-    def __init__(self, rxn_smarts, adjacent_res_smarts=None): 
+    def __init__(self, rxn_smarts: str, adjacent_res_smarts: str = None): 
         """
         Initialize the ResiduePadder with reaction SMARTS and optional adjacent residue SMARTS.
 
@@ -1815,26 +1815,23 @@ def __init__(self, rxn_smarts, adjacent_res_smarts=None):
 
         # Ensure adjacent_res_smarts is None or a valid SMARTS        
         self.adjacent_smartsmol = self._initialize_adj_smartsmol(adjacent_res_smarts)
-
+        
+        # Ensure the mapping numbers are the same in adjacent_smartsmol and rxn_smarts's product
+        self._check_adj_smarts(self.rxn, self.adjacent_smartsmol)
+        
         # Fill in adjacent_smartsmol_mapidx
         if self.adjacent_smartsmol is None:
             self.adjacent_smartsmol_mapidx = None
         else:
-            self.adjacent_smartsmol_mapidx = {}
-            for atom in self.adjacent_smartsmol.GetAtoms():
-                if atom.HasProp("molAtomMapNumber"):
-                    j = atom.GetIntProp("molAtomMapNumber")
-                    self.adjacent_smartsmol_mapidx[j] = atom.GetIdx()
-        
-        # Ensure the atom mapping numbers are the same in adjacent_smartsmol and rxn_smarts's product
-        is_ok, padding_ids, adjacent_ids = self._check_adj_smarts(self.rxn, self.adjacent_smartsmol)
-        if not is_ok:
-            raise ValueError(f"SMARTS labels in adjacent_smartsmol ({adjacent_ids}) differ from \
-                             unmapped product labels in reaction ({padding_ids})")
+            self.adjacent_smartsmol_mapidx = {
+                atom.GetIntProp("molAtomMapNumber"): atom.GetIdx()
+                for atom in self.adjacent_smartsmol.GetAtoms()
+                if atom.HasProp("molAtomMapNumber")
+            }
     
     @staticmethod
-    def _validate_rxn_smarts(rxn_smarts):
-        """Ensure rxn_smarts has single reactant and single product"""
+    def _validate_rxn_smarts(rxn_smarts: str) -> rdChemReactions.ChemicalReaction:
+        """Validate rxn_smarts and return rxn"""
         rxn = rdChemReactions.ReactionFromSmarts(rxn_smarts)
         if rxn.GetNumReactantTemplates() != 1:
             raise ValueError(f"Expected 1 reactant, got {rxn.GetNumReactantTemplates()}.")
@@ -1843,10 +1840,8 @@ def _validate_rxn_smarts(rxn_smarts):
         return rxn
     
     @staticmethod
-    def _initialize_adj_smartsmol(adjacent_res_smarts):
-        """
-        Ensure adjacent_res_smarts is None or a valid SMARTS
-        """
+    def _initialize_adj_smartsmol(adjacent_res_smarts: str) -> Chem.Mol:
+        """Validate adjacent_res_smarts and return adjacent_smartsmol"""
         if adjacent_res_smarts is None:
             return None
         adjacent_smartsmol = Chem.MolFromSmarts(adjacent_res_smarts)
@@ -1855,135 +1850,88 @@ def _initialize_adj_smartsmol(adjacent_res_smarts):
         return adjacent_smartsmol
     
     @staticmethod
-    def _check_adj_smarts(rxn, adjacent_smartsmol):
+    def _check_adj_smarts(rxn: rdChemReactions.ChemicalReaction, adjacent_smartsmol: Chem.Mol):
         """
         Ensure the atom mapping numbers are the same in adjacent_smartsmol and rxn_smarts's product
         """
 
-        # Assumes single reactant and single product
+        # Assumes single reactant, single product
         reactant_ids = get_molAtomMapNumbers(rxn.GetReactantTemplate(0))
         product_ids = get_molAtomMapNumbers(rxn.GetProductTemplate(0))
         adjacent_ids = get_molAtomMapNumbers(adjacent_smartsmol)
         padding_ids = product_ids.difference(reactant_ids)
         is_ok = padding_ids == adjacent_ids
-        return is_ok, padding_ids, adjacent_ids
 
-    def __call__(self, target_mol, adjacent_mol=None, 
-                 target_required_atom_index=None, adjacent_required_atom_index=None):
+        if not is_ok:
+            raise ValueError(f"SMARTS labels in adjacent_smartsmol ({adjacent_ids}) differ from \
+                             unmapped product labels in reaction ({padding_ids})")
+
+    def __call__(self, target_mol: Chem.Mol, adjacent_mol = None, 
+                 target_required_atom_index = None, adjacent_required_atom_index = None):
         # add Hs only to padding atoms
         # copy coordinates if adjacent res has Hs bound to heavy atoms
         # labels have been checked upstream
 
         # Ensure target_mol contains self.rxn's reactant
         rxn = self.rxn
-        
-        def _apply_atom_mappings(mcs_mol: Chem.Mol, original_mol: Chem.Mol) -> Chem.Mol:
-            """
-            Apply atom mappings from the original molecule to the MCS molecule by matching the MCS as a substructure.
-
-            Parameters
-            ----------
-            mcs_mol : Chem.Mol
-                The MCS molecule obtained from FindMCS.
-            original_mol : Chem.Mol
-                The original molecule with atom mappings.
-
-            Returns
-            -------
-            Chem.Mol
-                A new MCS molecule with atom mappings applied from the original molecule.
-            """
-            # Perform substructure match between the MCS and the original molecule
-            match = original_mol.GetSubstructMatch(mcs_mol)
-            
-            if not match:
-                raise ValueError("No substructure match found between MCS and original molecule.")
-
-            # Create an editable version of the MCS molecule
-            rw_mcs_mol = Chem.RWMol(mcs_mol)
-            
-            # Loop through the matched atoms and transfer the atom mappings from the original molecule
-            for i, mcs_atom in enumerate(rw_mcs_mol.GetAtoms()):
-                original_atom_idx = match[i]  # Get the corresponding atom index from the original molecule
-                original_atom = original_mol.GetAtomWithIdx(original_atom_idx)
-                
-                # If the original atom has a molAtomMapNumber, transfer it to the MCS atom
-                if original_atom.HasProp("molAtomMapNumber"):
-                    mcs_atom.SetProp("molAtomMapNumber", original_atom.GetProp("molAtomMapNumber"))
-            
-            return rw_mcs_mol.GetMol()
-        
-        def remove_atoms_with_mapping(product: Chem.Mol, mapping_numbers: set) -> Chem.Mol:
-            """
-            Remove atoms with specific atom mapping numbers from a molecule.
-            
-            Parameters
-            ----------
-            product : Chem.Mol
-                The product molecule from which atoms will be removed.
-            mapping_numbers : list of int
-                A list of atom mapping numbers to remove from the molecule.
-            
-            Returns
-            -------
-            Chem.Mol
-                The modified product molecule with the specified atoms removed.
-            """
-            # Convert to an editable molecule
-            editable_product = Chem.RWMol(product)
-            
-            # Find and remove atoms with the given mapping numbers
-            atoms_to_remove = []
-            
-            for atom in editable_product.GetAtoms():
-                if atom.HasProp("molAtomMapNumber"):
-                    map_num = int(atom.GetProp("molAtomMapNumber"))
-                    if map_num in mapping_numbers:
-                        atoms_to_remove.append(atom.GetIdx())
-
-            # Remove atoms (in reverse order to avoid index shift issues)
-            for idx in sorted(atoms_to_remove, reverse=True):
-                editable_product.RemoveAtom(idx)
-            
-            # Return the modified molecule
-            return editable_product.GetMol()
 
         if not self._check_target_mol(target_mol):
-            print("!!! FALL BACK for TAR MOL !!!")
+            print(f"target_mol ({Chem.MolToSmiles(target_mol)}) is not fully compliant with the template rxn ({rdChemReactions.ReactionToSmarts(self.rxn)})...")
             # Assumes single reactant and single product
             reactant_smartsmol = rxn.GetReactantTemplate(0)
+            reactant_ids = get_molAtomMapNumbers(reactant_smartsmol)
+
+            # Generate fallback options for reactants
             fallback_reactant_smartsmol = Chem.MolFromSmarts(rdFMCS.FindMCS([reactant_smartsmol, target_mol]).smartsString)
-            fallback_reactant = _apply_atom_mappings(fallback_reactant_smartsmol, reactant_smartsmol)
+            if fallback_reactant_smartsmol is None:
+                raise RuntimeError(f"target_mol does not contain the expected reactant.")
+
+            # Filter fallback options by target_required_atom_index
+            fallback_reactants = [
+                reactant_mol for reactant_mol in apply_atom_mappings(fallback_reactant_smartsmol, reactant_smartsmol)
+                if target_required_atom_index in get_molAtomMapNumbers(reactant_mol)
+            ]
+            if len(fallback_reactants) == 0:
+                raise RuntimeError(f"target_mol does not contain the expected reactant with the expected target_required_atom_index.")
             
-            reactant_ids = get_molAtomMapNumbers(reactant_smartsmol)
+            # Take any fallback reactant; actually, they're the same reactant mols having different mapping numbers
+            fallback_reactant = fallback_reactants[0]
+            
+            # Modify rxn smarts and update rxn
             fallback_reactant_ids = get_molAtomMapNumbers(fallback_reactant)
-            if target_required_atom_index not in fallback_reactant_ids: 
-                raise RuntimeError(f"target_mol does not contain the expected reactant.")
-            else:
-                skipping_ids = reactant_ids.difference(fallback_reactant_ids)
-                fallback_product = remove_atoms_with_mapping(rxn.GetProductTemplate(0), skipping_ids)
-                fallback_rxnsmarts = f"{Chem.MolToSmarts(fallback_reactant)}>>{Chem.MolToSmarts(fallback_product)}"
-                rxn = rdChemReactions.ReactionFromSmarts(fallback_rxnsmarts)
+            skipping_ids = reactant_ids.difference(fallback_reactant_ids)
+            fallback_product = remove_atoms_with_mapping(rxn.GetProductTemplate(0), skipping_ids)
+            fallback_rxnsmarts = f"{Chem.MolToSmarts(fallback_reactant)}>>{Chem.MolToSmarts(fallback_product)}"
+            rxn = rdChemReactions.ReactionFromSmarts(fallback_rxnsmarts)
+            print(f"Switched from Template rxn ({rdChemReactions.ReactionToSmarts(self.rxn)}) to Fallback rxn ({fallback_rxnsmarts})")
         
         # Get adjacent_mol's reacting part that contains adjacent_required_atom_index
         if adjacent_mol is not None:
-            if self._check_adjacent_mol(adjacent_mol, adjacent_required_atom_index):
+
+            # Ensure adjacent_mol contains expected_adjacent_smartsmol, and 
+            # there's exactly one match that includes atom with adjacent_required_atom_index
+            if self._check_adjacent_mol(self.adjacent_smartsmol, adjacent_mol, adjacent_required_atom_index):
                 adjacent_smartsmol = self.adjacent_smartsmol
+            
+            # Remove unmapped atoms from Template adjacent mol SMARTS as the fallback option;
+            # The unmapped atoms aren't needed for positions anyways
             else:
-                print("!!! FALL BACK for ADJ MOL !!!")
+                print(f"adjacent_mol ({Chem.MolToSmiles(adjacent_mol)}) is not fully compliant with the template adjacent_smarts ({Chem.MolToSmarts(self.adjacent_smartsmol)})...")
                 adjacent_smartsmol = remove_unmapped_atoms_from_mol(self.adjacent_smartsmol)
-            hits = adjacent_mol.GetSubstructMatches(adjacent_smartsmol)
-            if len(hits) == 0:
-                    raise RuntimeError(f"adjacent_mol doesn't contain adjacent_smartsmol.")
-            elif len(hits) > 1:
-                raise RuntimeError(f"adjacent_mol has multiple matches for adjacent_smartsmol.") 
-            hit = hits[0]
-        
+
+                # Evaluate adjacent mol against the fallback adjacent mol SMARTS
+                if self._check_adjacent_mol(adjacent_smartsmol, adjacent_mol, adjacent_required_atom_index):
+                     print(f"Switched from Template adjacent mol ({Chem.MolFromSmarts(self.adjacent_smartsmol)}) to Fallback adjacent mol ({Chem.MolFromSmarts(adjacent_smartsmol)})")
+                else:
+                    raise RuntimeError(f"adjacent_mol doesn't contain the mapped atoms in adjacent_smartsmol.") 
+            
+            # Update hit and adjacent_smartsmol_mapidx 
+            hit = adjacent_mol.GetSubstructMatches(adjacent_smartsmol)[0]
             adjacent_smartsmol_mapidx = {
                 atom.GetIntProp("molAtomMapNumber"): atom.GetIdx()
                 for atom in adjacent_smartsmol.GetAtoms() if atom.HasProp("molAtomMapNumber")
                 }
-
+        
         # Get padded mol and index map from the rxn
         outcomes = react_and_map((target_mol,), rxn)
 
@@ -2032,15 +1980,16 @@ def remove_atoms_with_mapping(product: Chem.Mol, mapping_numbers: set) -> Chem.M
 
         return padded_h, mapidx
     
-    def _check_adjacent_mol(self, adjacent_mol, adjacent_required_atom_index):
+    @staticmethod
+    def _check_adjacent_mol(expected_adjacent_smartsmol: Chem.Mol, adjacent_mol: Chem.Mol, adjacent_required_atom_index: str):
         """
-        Ensure adjacent_mol contains self.adjacent_smartsmol, and 
+        Ensure adjacent_mol contains expected_adjacent_smartsmol, and 
         there's exactly one match that includes atom with adjacent_required_atom_index
         """
-        if self.adjacent_smartsmol is None:
+        if expected_adjacent_smartsmol is None:
             raise RuntimeError("adjacent_res_smarts must be initialized to support adjacent_mol.")
 
-        hits = adjacent_mol.GetSubstructMatches(self.adjacent_smartsmol)
+        hits = adjacent_mol.GetSubstructMatches(expected_adjacent_smartsmol)
         if adjacent_required_atom_index is not None:
             hits = [hit for hit in hits if adjacent_required_atom_index in hit]
             if len(hits) > 1:
@@ -2048,7 +1997,7 @@ def _check_adjacent_mol(self, adjacent_mol, adjacent_required_atom_index):
             elif len(hits) == 0:
                 return False
         return True
-    
+
     def _check_target_mol(self, target_mol):
         """Ensure target_mol contains self.rxn's reactant"""
         # Assumes single reactant
@@ -2061,28 +2010,23 @@ def _check_target_mol(self, target_mol):
     def from_json(cls, string):
         d = json.loads(string)
         return cls(**d)
-
+    
     def to_json(self):
         return json.dumps(self, default=lambda o: o.__dict__)
 
+# Utility Functions
 
-def get_molAtomMapNumbers(mol):
-    numbers = set()
-    for atom in mol.GetAtoms():
-        if atom.HasProp("molAtomMapNumber"):
-            numbers.add(atom.GetIntProp("molAtomMapNumber"))
-    return numbers
-
+def get_molAtomMapNumbers(mol: Chem.Mol) -> set:
+    """Return the set of mapping numbers in a molecule."""
+    return {atom.GetIntProp("molAtomMapNumber") for atom in mol.GetAtoms() if atom.HasProp("molAtomMapNumber")}
 
-def remove_unmapped_atoms_from_mol(mol):
-    """Remove unmapped atoms from a molecule."""
-    # Get all atoms and their mapping numbers
-    atoms_to_remove = []
-    for atom in mol.GetAtoms():
-        if not atom.HasProp("molAtomMapNumber"):
-            atoms_to_remove.append(atom.GetIdx())
+def remove_unmapped_atoms_from_mol(mol: Chem.Mol) -> Chem.Mol:
+    """Remove atoms without mapping numbers from a molecule."""
+    atoms_to_remove = [
+        atom.GetIdx() for atom in mol.GetAtoms() 
+        if not atom.HasProp("molAtomMapNumber")
+        ]
 
-    # Remove unmapped atoms
     if len(atoms_to_remove) > 0:
         mol = Chem.RWMol(mol)
         for idx in sorted(atoms_to_remove, reverse=True):
@@ -2091,6 +2035,45 @@ def remove_unmapped_atoms_from_mol(mol):
 
     return mol
 
+def apply_atom_mappings(mcs_mol: Chem.Mol, original_mol: Chem.Mol) -> list[Chem.Mol]:
+    """
+    Apply atom mappings from the original molecule to the MCS molecule by substructure match.
+    Be prepared for multiple matches, return a list for further evaluation
+    """
+
+    # Assumes original_mol contains mcs_mol
+    matches = original_mol.GetSubstructMatches(mcs_mol)
+    mapped_mcs_molecules = []
+
+    for match in matches:
+        rw_mcs_mol = Chem.RWMol(mcs_mol)
+        
+        for i, mcs_atom in enumerate(rw_mcs_mol.GetAtoms()):
+            original_atom_idx = match[i]
+            original_atom = original_mol.GetAtomWithIdx(original_atom_idx)
+            
+            if original_atom.HasProp("molAtomMapNumber"):
+                mcs_atom.SetProp("molAtomMapNumber", original_atom.GetProp("molAtomMapNumber"))
+
+        mapped_mcs_molecules.append(rw_mcs_mol.GetMol())
+    
+    return mapped_mcs_molecules
+
+def remove_atoms_with_mapping(product: Chem.Mol, mapping_numbers: set) -> Chem.Mol:
+    """Remove atoms with specific atom mapping numbers from a molecule."""
+    editable_product = Chem.RWMol(product)
+
+    atoms_to_remove = []
+    for atom in editable_product.GetAtoms():
+        if atom.HasProp("molAtomMapNumber"):
+            map_num = int(atom.GetProp("molAtomMapNumber"))
+            if map_num in mapping_numbers:
+                atoms_to_remove.append(atom.GetIdx())
+    for idx in sorted(atoms_to_remove, reverse=True):
+        editable_product.RemoveAtom(idx)
+    
+    return editable_product.GetMol()
+
 
 class ResidueTemplate:
     """

From 9a5b6347e62ab9f945a217179c13d5909f4010ec Mon Sep 17 00:00:00 2001
From: Amy He <ayhe1768@gmail.com>
Date: Thu, 3 Oct 2024 23:34:25 -0700
Subject: [PATCH 038/166] fix typos

---
 meeko/linked_rdkit_chorizo.py | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/meeko/linked_rdkit_chorizo.py b/meeko/linked_rdkit_chorizo.py
index c6401b99..5be8b482 100644
--- a/meeko/linked_rdkit_chorizo.py
+++ b/meeko/linked_rdkit_chorizo.py
@@ -1921,7 +1921,7 @@ def __call__(self, target_mol: Chem.Mol, adjacent_mol = None,
 
                 # Evaluate adjacent mol against the fallback adjacent mol SMARTS
                 if self._check_adjacent_mol(adjacent_smartsmol, adjacent_mol, adjacent_required_atom_index):
-                     print(f"Switched from Template adjacent mol ({Chem.MolFromSmarts(self.adjacent_smartsmol)}) to Fallback adjacent mol ({Chem.MolFromSmarts(adjacent_smartsmol)})")
+                     print(f"Switched from Template adjacent mol ({Chem.MolToSmarts(self.adjacent_smartsmol)}) to Fallback adjacent mol ({Chem.MolToSmarts(adjacent_smartsmol)})")
                 else:
                     raise RuntimeError(f"adjacent_mol doesn't contain the mapped atoms in adjacent_smartsmol.") 
             

From aef98b112a8bd26bd7d39f35322f66d47b402027 Mon Sep 17 00:00:00 2001
From: diogom <diogom@scripps.edu>
Date: Fri, 4 Oct 2024 11:25:44 -0700
Subject: [PATCH 039/166] altloc working for from_pdb_string parsing

---
 meeko/linked_rdkit_chorizo.py  | 179 +++++++++++++++++++++++++++------
 meeko/utils/prodyutils.py      | 125 ++++++++++++-----------
 meeko/utils/rdkitutils.py      |  79 +++++++++++++++
 scripts/mk_prepare_receptor.py |   9 ++
 4 files changed, 301 insertions(+), 91 deletions(-)

diff --git a/meeko/linked_rdkit_chorizo.py b/meeko/linked_rdkit_chorizo.py
index 10ab3ac4..87dec85c 100644
--- a/meeko/linked_rdkit_chorizo.py
+++ b/meeko/linked_rdkit_chorizo.py
@@ -3,22 +3,28 @@
 import logging
 from os import linesep as os_linesep
 from typing import Union
+from typing import Optional
 
 import rdkit.Chem
 from rdkit import Chem
 from rdkit.Chem import rdFMCS
 from rdkit.Chem import rdChemReactions
 from rdkit.Chem import rdMolInterchange
+from rdkit.Chem import rdDetermineBonds
 
 from .molsetup import RDKitMoleculeSetup
 from .molsetup import MoleculeSetupEncoder
 from .utils.jsonutils import rdkit_mol_from_json
 from .utils.rdkitutils import mini_periodic_table
 from .utils.rdkitutils import react_and_map
+from .utils.rdkitutils import AtomField
+from .utils.rdkitutils import build_one_rdkit_mol_per_altloc
 from .utils.pdbutils import PDBAtomInfo
 
 import numpy as np
 
+periodic_table = Chem.GetPeriodicTable()
+
 try:
     import prody
 except ImportError as _prody_import_error:
@@ -738,6 +744,8 @@ def from_pdb_string(
         allow_bad_res=False,
         bonds_to_delete=None,
         blunt_ends=None,
+        wanted_altloc=None,
+        allowed_altloc=None
     ):
         """
 
@@ -751,14 +759,34 @@ def from_pdb_string(
         allow_bad_res
         bonds_to_delete
         blunt_ends
+        wanted_altloc
+        allowed_altloc
 
         Returns
         -------
 
         """
 
-        raw_input_mols = cls._pdb_to_residue_mols(pdb_string)
-        _delete_residues(residues_to_delete, raw_input_mols)
+        tmp_raw_input_mols = cls._pdb_to_residue_mols(
+            pdb_string,
+            wanted_altloc,
+            allowed_altloc,
+        )
+        _delete_residues(residues_to_delete, tmp_raw_input_mols)
+        raw_input_mols = {}
+        res_needed_altloc = []
+        res_missed_altloc = []
+        unparsed_res = []
+        for res_id, stuff in tmp_raw_input_mols.items():
+            mol, resname, missed_altloc, needed_altloc = stuff
+            if mol is None and missed_altloc:
+                res_missed_altloc.append(res_id)
+            elif mol is None and needed_altloc:
+                res_needed_altloc.append(res_id)
+            elif mol is None:
+                unparsed_res.append(res_id)
+            else:
+                raw_input_mols[res_id] = (mol, resname)
         bonds = find_inter_mols_bonds(raw_input_mols)
         if bonds_to_delete is not None:
             for res1, res2 in bonds_to_delete:
@@ -774,8 +802,34 @@ def from_pdb_string(
             set_template,
             blunt_ends,
         )
-        if not allow_bad_res and len(chorizo.get_ignored_residues()):
-            raise RuntimeError("got unmatched residues")
+
+        if unparsed_res:
+            msg = f"Failed parsing {unparsed_res} for unknown reasons. Inspect the structure"
+            logger.warning(msg)
+        ignored_res = chorizo.get_ignored_residues()
+        if ignored_res:
+            logger.warning(f"got unmatched residues: {list(ignored_res)}")
+        if not allow_bad_res and ignored_res and unparsed_res:
+            msg = f"Failed parsing {unparsed_res}" + os_linesep
+            msg += f"Failed matching {list(ignored_res)}" + os_linesep
+            msg += f"These can be ignored with option allow_bad_res"
+            raise RuntimeError(msg)
+        elif not allow_bad_res and ignored_res:
+            msg = f"Failed matching {list(ignored_res)}. Ignore with option allow_bad_res"
+            raise RuntimeError(msg)
+        elif not allow_bad_res and unparsed_res:
+            msg = f"Failed parsing {unparsed_res}. Ignore with option allow_bad_res"
+            raise RuntimeError(msg)
+        if res_missed_altloc:
+            msg = f"Failed parsing {res_missed_altloc}. Requested altlocs weren't found."
+            logger.warning(msg)
+        if res_needed_altloc: 
+            msg = f"Failed parsing {res_needed_altloc} because of alternate locations" + os_linesep
+            msg += "Either specify an altloc for each with option `wanted_altloc`" + os_linesep
+            msg += "or a general default altloc with option `allowed_altloc`."
+            logger.warning(msg)
+        if res_missed_altloc or res_needed_altloc:
+            raise RuntimeError("Handle AltLocs with allowed_altloc or wanted_altloc")
         return chorizo
 
     @classmethod
@@ -807,7 +861,7 @@ def from_prody(
         -------
 
         """
-        raw_input_mols = cls._prody_to_residue_mols(prody_obj)
+        raw_input_mols = cls._prody_to_residue_mols(prody_obj, None, None)
         _delete_residues(residues_to_delete, raw_input_mols)
         bonds = find_inter_mols_bonds(raw_input_mols)
         if bonds_to_delete is not None:
@@ -1382,7 +1436,11 @@ def print_residues_by_resname(removed_residues):
         return string
 
     @staticmethod
-    def _pdb_to_residue_mols(pdb_string):
+    def _pdb_to_residue_mols(
+        pdb_string,
+        wanted_altloc: Optional[str]=None,
+        allowed_altloc: Optional[str]=None,
+    ):
         """
 
         Parameters
@@ -1398,10 +1456,12 @@ def _pdb_to_residue_mols(pdb_string):
         reskey = None
         buffered_reskey = None
         buffered_resname = None
-        interrupted_residues = (
-            set()
-        )  # e.g. non-consecutive residue lines due to interruption by TER or another res
-        pdb_block = ""
+        # residues in non-consecutive lines due to TER or another res
+        interrupted_residues = set()
+        pdb_block = []
+
+        if wanted_altloc is None:
+            wanted_altloc = {}
 
         def _add_if_new(to_dict, key, value, repeat_log):
             if key in to_dict:
@@ -1414,23 +1474,30 @@ def _add_if_new(to_dict, key, value, repeat_log):
             if line.startswith("TER") and reskey is not None:
                 _add_if_new(blocks_by_residue, reskey, pdb_block, interrupted_residues)
                 blocks_by_residue[reskey] = pdb_block
-                pdb_block = ""
+                pdb_block = []
                 reskey = None
                 buffered_reskey = None
             if line.startswith("ATOM") or line.startswith("HETATM"):
-                # Generating dictionary key
+                atomname = line[12:16].strip()
+                altloc = line[16:17].strip()
                 resname = line[17:20].strip()
-                resid = int(line[22:26].strip())
-                chainid = line[21].strip()
+                chainid = line[21:22].strip()
+                resnum = int(line[22:26].strip())
                 icode = line[26:27].strip()
-                reskey = (
-                    f"{chainid}:{resid}{icode}"  # e.g. "A:42", ":42", "A:42B", ":42B"
-                )
+                x = float(line[30:38])
+                y = float(line[38:46])
+                z = float(line[46:54])
+                element = line[76:78].strip()
+                reskey = f"{chainid}:{resnum}{icode}"  # e.g. ":42", "A:42B"
                 reskey_to_resname.setdefault(reskey, set())
                 reskey_to_resname[reskey].add(resname)
+                atom = AtomField(
+                    atomname, altloc, resname, chainid,
+                    resnum, icode, x, y, z, element,
+                )
 
                 if reskey == buffered_reskey:  # this line continues existing residue
-                    pdb_block += line
+                    pdb_block.append(atom)
                 else:
                     if buffered_reskey is not None:
                         _add_if_new(
@@ -1440,11 +1507,15 @@ def _add_if_new(to_dict, key, value, repeat_log):
                             interrupted_residues,
                         )
                     buffered_reskey = reskey
-                    pdb_block = line
+                    pdb_block = [atom]
 
-        if len(pdb_block):  # there was not a TER line
+        if pdb_block:  # there was not a TER line
             _add_if_new(blocks_by_residue, reskey, pdb_block, interrupted_residues)
 
+        if interrupted_residues:
+            msg = f"interrupted residues in PDB: {interrupted_residues}"
+            raise ValueError(msg)
+
         # verify that each identifier (e.g. "A:17" has a single resname
         violations = {k: v for k, v in reskey_to_resname.items() if len(v) != 1}
         if len(violations):
@@ -1455,23 +1526,49 @@ def _add_if_new(to_dict, key, value, repeat_log):
         # create rdkit molecules from PDB strings for each residue
         raw_input_mols = {}
         for reskey, pdb_block in blocks_by_residue.items():
-            pdbmol = Chem.MolFromPDBBlock(
-                pdb_block, removeHs=False
-            )  # TODO RDKit ignores AltLoc ?
+            requested_altloc = wanted_altloc.get(reskey, None)
+            missed_altloc = False
+            needed_altloc = False
+            mols_dict = build_one_rdkit_mol_per_altloc(pdb_block) 
+            has_altloc = None not in mols_dict
+            if has_altloc and requested_altloc is None and allowed_altloc is None:
+                pdbmol = None
+                missed_altloc = False 
+                needed_altloc = True
+            elif requested_altloc and requested_altloc in mols_dict:
+                pdbmol, idx_to_rdkit = mols_dict[requested_altloc]
+            elif requested_altloc and requested_altloc not in mols_dict:
+                pdbmol = None
+                missed_altloc = True
+                needed_altoc = False
+            elif allowed_altloc and allowed_altloc in mols_dict:
+                pdbmol, idx_to_rdkit = mols_dict[allowed_altloc]
+            elif not has_altloc and requested_altloc is None:
+                pdbmol, idx_to_rdkit = mols_dict[None]
+            else:
+                raise RuntimeError("programming bug, please post full error on github")
 
-            # MolFromPDBBlock returns None on failure
-            if pdbmol is None: 
-                raise RuntimeError(f"An error occurred while trying to build pdb mol for {reskey} {resname}")
+            resname = list(reskey_to_resname[reskey])[0]  # verified length 1
 
-            resname = list(reskey_to_resname[reskey])[
-                0
-            ]  # already verified length of set is 1
-            raw_input_mols[reskey] = (pdbmol, resname)
+            if pdbmol is None: 
+                raw_input_mols[reskey] = (pdbmol, resname, missed_altloc, needed_altloc)
+                #raise RuntimeError(f"An error occurred while trying to build pdb mol for {reskey} {resname}")
+            else:
+                rdDetermineBonds.DetermineConnectivity(pdbmol)
+                for atom in pdbmol.GetAtoms():
+                    if atom.GetAtomicNum() == 7 and len(atom.GetNeighbors()) == 4:
+                        atom.SetFormalCharge(1)
+                _ = Chem.SanitizeMol(pdbmol)
+                raw_input_mols[reskey] = (pdbmol, resname, missed_altloc, needed_altloc)
 
         return raw_input_mols
 
     @staticmethod
-    def _prody_to_residue_mols(prody_obj: ALLOWED_PRODY_TYPES) -> dict:
+    def _prody_to_residue_mols(
+            prody_obj: ALLOWED_PRODY_TYPES,
+            wanted_altloc_dict: Optional[dict] = None,
+            allowed_altloc: Optional[str] = None,
+        ) -> dict:
         """
 
         Parameters
@@ -1482,6 +1579,8 @@ def _prody_to_residue_mols(prody_obj: ALLOWED_PRODY_TYPES) -> dict:
         -------
 
         """
+        if wanted_altloc_dict is None:
+            wanted_altloc_dict = {}
         raw_input_mols = {}
         reskey_to_resname = {}
         # generate macromolecule hierarchy iterator
@@ -1499,10 +1598,26 @@ def _prody_to_residue_mols(prody_obj: ALLOWED_PRODY_TYPES) -> dict:
                 reskey = f"{chain_id}:{res_num}{icode}"
                 reskey_to_resname.setdefault(reskey, set())
                 reskey_to_resname[reskey].add(res_name)
+                if reskey in wanted_altloc_dict:
+                    wanted_altloc = wanted_altloc_dict[reskey]
+                    this_res_allowed_altloc = None
+                else:
+                    wanted_altloc = None
+                    this_res_allowed_altloc = allowed_altloc
+                prody_mol, needed_altloc, not_found_altloc = prody_to_rdkit(
+                    res,
+                    wanted_altloc,
+                    this_res_allowed_altloc,
+                )
+                if needed_altloc:
+                    continue
+                elif wanted_altloc:
+                    continue
                 mol_name = f"{chain_id}:{res_index}:{res_name}:{res_num}:{icode}"
+                prody_mol.SetProp("_Name", mol_name)
                 # we are not sanitizing because protonated LYS don't have the
                 # formal charge set on the N and Chem.SanitizeMol raises error
-                prody_mol = prody_to_rdkit(res, name=mol_name, sanitize=False)
+                # Chem.SanitizeMol(prody_mol)
                 raw_input_mols[reskey] = (prody_mol, res_name)
         return raw_input_mols
 
diff --git a/meeko/utils/prodyutils.py b/meeko/utils/prodyutils.py
index 0f66fa3e..68f06bdc 100644
--- a/meeko/utils/prodyutils.py
+++ b/meeko/utils/prodyutils.py
@@ -1,9 +1,11 @@
 from typing import Union
+from typing import Optional
 import numpy as np
 from rdkit import Chem
 from rdkit.Chem import rdDetermineBonds
 from rdkit.Chem.rdchem import Mol
-from rdkit.Geometry import Point3D
+from .rdkitutils import AtomField
+from .rdkitutils import build_one_rdkit_mol_per_altloc
 
 from prody.atomic import ATOMIC_FIELDS
 from prody.atomic.atomgroup import AtomGroup
@@ -106,10 +108,10 @@ def rdkit_to_prody(
 
 def prody_to_rdkit(
     prody_obj: ALLOWED_PRODY_TYPES,
-    name: str = "molecule",
     sanitize: bool = True,
     keep_bonds: bool = False,
-    keep_charges: bool = False,
+    wanted_altloc: Optional[str] = None,
+    allowed_altloc: Optional[str] = None,
 ) -> Mol:
     """
     Convert a ProDy selection or atom group into an RDKit molecule.
@@ -137,81 +139,83 @@ def prody_to_rdkit(
     {0: 629, 1: 630, 2: 631, 3: 632, 4: 633, 5: 634, 6: 635, 7: 636, 8: 637, 9:
     638, 10: 6 39, 11: 640}
 
-    If the ProDy object contains a charges atom field, and the flag
-    `keep_charges` is set to True, charges will be extracted
-    (`atom.GetPartialCharge()`) and saved as an RDKit Property
-    ("_prody_charges") for each atom.
-
     By default, even if available, bonds defined in the ProDy object are
-    ignored. In order to use ProDy bond info, the flag `keep_charges` needs to
+    ignored. In order to use ProDy bond info, the flag `keep_bonds` needs to
     be set to True and bonds assigned or perceived prior to the conversion
-    (e.g. `AtomGroup.inferBonds()`, which is usually slow).
+    (e.g. `AtomGroup.inferBonds()`, which is usually slow). As of v2.4.1,
+    Prody's mmCIF parser does not parse bonds.
 
     Parameters
     ----------
     prody_obj : Union[Selection, AtomGroup]
         input molecule (AtomGroup) or subset selection (e.g., Selection
         containign one residue)
-    name : str (default: "molecule" )
-        name assigned to the new molecule
     sanitize : bool (default: True)
         perform the sanitization of the RDKit molecule prior to returning it;
         any exception during this process will be raised as RDKit would do.
     keep_bonds : bool (default: False)
         use bonds defined in the ProDy object, instead of perceiving them with
         RDKit using rdDetermineBonds.DetermineConnectivity()
-    keep_charges : bool (default: False)
-        use partial charges defined in the ProDy object; when True, partial
-        charges are stored as  "_prody_charges" property in the RDKit molecule
+        Note that prody's mmCif parser does not parse bonds as of v2.4.1.
+    wanted_altloc : Optional[str] (default: None)
+        require specified alternate location
+    allowed_altloc : Optional[str] (default: None)
+        if altlocs exist, use this one. Incompatible with wanted_altloc
 
     Returns
     -------
-    Mol
+    raw_input_mols : dict of tuples
         RDKit molecule
+    needed_altloc : bool
+        need to know which altloc to use with wanted_altloc or allowed_altloc
+    missed_altloc : bool
+        the requested altloc (with wanted_altloc) does not exist
     """
 
-    atom_count = len(prody_obj)
-    # create rdkit data
-    rdmol = Chem.Mol()
-    mol = Chem.EditableMol(rdmol)
-    conformer = Chem.Conformer(atom_count)
-    # initialize boookkeeping objects
-    idx_prody_to_rdkit = {}
-    idx_rdkit_to_prody = {}
-    idx_rdkit = 0
+    if wanted_altloc is not None and allowed_altloc is not None:
+        raise ValueError("can't use both wanted_altloc and allowed_altloc")
 
-    # start molecule editing
-    mol.BeginBatchEdit()
+    atom_field_list = []
+    indices_prody = []
     for atom in prody_obj:
-        # gather atom info
-        idx_prody = int(atom.getIndex())
-        element = atom.getData("element")
-        # f8x PDB quirks like Zn/ZN
-        if len(element) > 1:
-            element = f"{element[0]}{element[1].lower()}"
-        atomic_num = periodic_table.GetAtomicNumber(element)
-        rdkit_atom = Chem.Atom(atomic_num)
-        # TODO check which property to use
-        if keep_charges is True:
-            partial_charge = atom.GetPartialCharge()
-            rdkit_atom.SetProp("_prody_charges", partial_charge)
+        indices_prody.append(int(atom.getIndex()))
         x, y, z = atom.getCoords()
-        conformer.SetAtomPosition(idx_rdkit, Point3D(x, y, z))
-        res_info = Chem.rdchem.AtomPDBResidueInfo()
-        res_info.SetResidueName(str(atom.getResname()))
-        res_info.SetName(str(atom.getName()))
-        res_info.SetResidueNumber(int(atom.getResnum()))
-        res_info.SetChainId(str(atom.getChid()))
-        res_info.SetInsertionCode("")
-        res_info.SetTempFactor(0.0)
-        res_info.SetIsHeteroAtom(False)
-        res_info.SetSecondaryStructure(0)
-        res_info.SetSegmentNumber(0)
-        rdkit_atom.SetPDBResidueInfo(res_info)
-        mol.AddAtom(rdkit_atom)
-        idx_prody_to_rdkit[idx_prody] = idx_rdkit
-        idx_rdkit_to_prody[idx_rdkit] = idx_prody
-        idx_rdkit += 1
+        atom_field = AtomField(
+            atomname=str(atom.getName()),
+            altloc=str(atom.getAltloc()),
+            resname=str(atom.getResname()),
+            chain=str(atom.getChid()),
+            resnum=int(atom.getResnum()),
+            icode=str(atom.getIcode()),
+            x=float(x),
+            y=float(y),
+            z=float(z),
+            element=str(atom.getElement()),
+        )
+        atom_field_list.append(atom_field)
+
+    mols_dict = build_one_rdkit_mol_per_altloc(atom_field_list) 
+    has_altloc = None not in mols_dict
+    if has_altloc and wanted_altloc is None and allowed_altloc is None:
+        return None, True, False 
+    elif wanted_altloc and wanted_altloc in mols_dict:
+        rdmol, idx_to_rdkit = mols_dict[wanted_altloc]
+    elif wanted_altloc and wanted_altloc not in mols_dict:
+        return None, False, True
+    elif allowed_altloc and allowed_altloc in mols_dict:
+        rdmol, idx_to_rdkit = mols_dict[allowed_altloc]
+    elif not has_altloc and wanted_altloc is None:
+        rdmol, idx_to_rdkit = mols_dict[None]
+    else:
+        raise RuntimeError("programming bug, please post full error on github")
+
+    idx_prody_to_rdkit = {}
+    idx_rdkit_to_prody = {}
+    for i, index_prody in enumerate(indices_prody):
+        index_rdkit = idx_to_rdkit[i]
+        idx_prody_to_rdkit[index_prody] = index_rdkit
+        idx_rdkit_to_prody[index_rdkit] = index_prody
+
     # iterate and create bonds
     if keep_bonds is True:
         if isinstance(prody_obj, AtomGroup):
@@ -221,6 +225,9 @@ def prody_to_rdkit(
     else:
         bonds = None
     if bonds is not None:
+        print("THIS CODE PATH IS UNTESTED (bonds in prody_to_rdkit)")
+        mol = Chem.EditableMol(rdmol)
+        mol.BeginBatchEdit()
         for bond in bonds:
             bond_indices = [int(x) for x in bond.getIndices()]
             # bond with atoms outside this selection
@@ -234,9 +241,9 @@ def prody_to_rdkit(
             bond_type = _bondtypes[bond_order]
             print("bonds", bond_indices, bond)
             mol.AddBond(bond_indices[0], bond_indices[1], bond_type)
-    # finalize molecule changes
-    mol.CommitBatchEdit()
-    rdmol = mol.GetMol()
+
+        mol.CommitBatchEdit()
+        rdmol = mol.GetMol()
     # add coordinates
     rdmol.AddConformer(conformer, assignId=True)
     # the molecule needs bonds, one way or another
@@ -249,7 +256,7 @@ def prody_to_rdkit(
     # attach the bookkeeping to the molecule
     rdmol._idx_prody_to_rdkit = idx_prody_to_rdkit
     rdmol._idx_rdkit_to_prody = idx_rdkit_to_prody
-    return rdmol
+    return rdmol, False, False
 
 
 if __name__ == "__main__":
diff --git a/meeko/utils/rdkitutils.py b/meeko/utils/rdkitutils.py
index b85f5457..968fa98c 100644
--- a/meeko/utils/rdkitutils.py
+++ b/meeko/utils/rdkitutils.py
@@ -1,6 +1,9 @@
 from rdkit import Chem
 from .utils import mini_periodic_table
 from .pdbutils import PDBAtomInfo
+from rdkit.Geometry import Point3D
+
+periodic_table = Chem.GetPeriodicTable()
 
 
 """
@@ -153,3 +156,79 @@ def react_and_map(reactants, rxn):
         index_map["new_atom_label"].append(new_atom_label_list)
 
     return products_list, index_map
+
+
+class AtomField:
+    """Stores data parsed from PDB or mmCIF"""
+
+    def __init__(
+        self,
+        atomname: str,
+        altloc: str,
+        resname: str,
+        chain: str,
+        resnum: int,
+        icode: str,
+        x: float,
+        y: float,
+        z: float,
+        element: str,
+    ):
+        self.atomname = atomname
+        self.altloc = altloc
+        self.resname = resname
+        self.chain = chain
+        self.resnum = resnum
+        self.icode = icode
+        self.x = x
+        self.y = y
+        self.z = z
+        if len(element) > 1:
+            element = f"{element[0].upper()}{element[1].lower()}"
+        else:
+            element = f"{element.upper()}"
+        self.atomic_nr = periodic_table.GetAtomicNumber(element)
+
+
+def _build_rdkit_mol_for_altloc(atom_fields_list, wanted_altloc:str=None):
+    mol = Chem.EditableMol(Chem.Mol())
+    mol.BeginBatchEdit() 
+    positions = []
+    idx_to_rdkit = {}
+    for index_list, atom in enumerate(atom_fields_list):
+        if wanted_altloc is not None:
+            if atom.altloc and atom.altloc != wanted_altloc:
+                # if atom.altloc is "" we still want to consider this atom
+                continue
+        rdkit_atom = Chem.Atom(atom.atomic_nr)
+        positions.append(Point3D(atom.x, atom.y, atom.z))
+        res_info = Chem.AtomPDBResidueInfo()
+        res_info.SetName(atom.atomname)
+        res_info.SetResidueName(atom.resname)
+        res_info.SetResidueNumber(atom.resnum)
+        res_info.SetChainId(atom.chain)
+        res_info.SetInsertionCode(atom.icode)
+        rdkit_atom.SetPDBResidueInfo(res_info)
+        index_rdkit = mol.AddAtom(rdkit_atom)
+        idx_to_rdkit[index_list] = index_rdkit
+    mol.CommitBatchEdit()
+    mol = mol.GetMol()
+    conformer = Chem.Conformer(mol.GetNumAtoms())
+    for index, position in enumerate(positions):
+        conformer.SetAtomPosition(index, position)
+    mol.AddConformer(conformer, assignId=True)
+    return mol, idx_to_rdkit
+        
+
+def build_one_rdkit_mol_per_altloc(atom_fields_list):
+    """ if no altlocs, the only key in the output dict is None
+        if altlocs exist, None is not a key: the keys are the altloc IDs
+    """
+    altlocs = set([atom.altloc for atom in atom_fields_list if atom.altloc])
+    rdkit_mol_dict = {}
+    if not altlocs:
+        altlocs = {None}
+    for altloc in altlocs:
+        mol, idx_to_rdkit = _build_rdkit_mol_for_altloc(atom_fields_list, altloc)
+        rdkit_mol_dict[altloc] = (mol, idx_to_rdkit)
+    return rdkit_mol_dict
diff --git a/scripts/mk_prepare_receptor.py b/scripts/mk_prepare_receptor.py
index c336a3cc..7519c11f 100755
--- a/scripts/mk_prepare_receptor.py
+++ b/scripts/mk_prepare_receptor.py
@@ -141,6 +141,8 @@ def get_args():
         action="store_true",
         help="delete residues with missing atoms instead of raising error",
     )
+    config_group.add_argument("--allowed_altloc", help="general default altloc")
+    config_group.add_argument("--wanted_altloc", help="require altloc for specific residues, e.g. :5=B,B:17=A")
     config_group.add_argument(
         "-f",
         "--flexres",
@@ -340,6 +342,11 @@ def get_args():
             reactive_flexres.add(res_id)
             reactive_flexres_name[res_id] = ""
 
+if args.wanted_altloc is None:
+    wanted_altloc = None
+else:
+    wanted_altloc = parse_cmdline_res_assign(args.wanted_altloc)
+
 # Evaluate number of reactive flexible residues
 if len(reactive_flexres) > 8:
     msg = "got %d reactive_flexres but maximum is 8." % (len(args.reactive_flexres))
@@ -442,6 +449,8 @@ def get_args():
         del_res,
         args.allow_bad_res,
         blunt_ends=blunt_ends,
+        wanted_altloc=wanted_altloc,
+        allowed_altloc=args.allowed_altloc,
     )
 
 # Use residue name in the input structure file to find reactive atom name

From d1e081d79c2c064191ae94a783467a7ca7a72326 Mon Sep 17 00:00:00 2001
From: Amy He <ayhe1768@gmail.com>
Date: Fri, 4 Oct 2024 15:43:29 -0700
Subject: [PATCH 040/166] Guard against empty altloc in input

---
 meeko/linked_rdkit_chorizo.py  |  3 ++-
 scripts/mk_prepare_receptor.py | 23 ++++++++++++++++++-----
 2 files changed, 20 insertions(+), 6 deletions(-)

diff --git a/meeko/linked_rdkit_chorizo.py b/meeko/linked_rdkit_chorizo.py
index 87dec85c..ae4c570f 100644
--- a/meeko/linked_rdkit_chorizo.py
+++ b/meeko/linked_rdkit_chorizo.py
@@ -1438,7 +1438,7 @@ def print_residues_by_resname(removed_residues):
     @staticmethod
     def _pdb_to_residue_mols(
         pdb_string,
-        wanted_altloc: Optional[str]=None,
+        wanted_altloc: Optional[dict[str, str]]=None,
         allowed_altloc: Optional[str]=None,
     ):
         """
@@ -1525,6 +1525,7 @@ def _add_if_new(to_dict, key, value, repeat_log):
 
         # create rdkit molecules from PDB strings for each residue
         raw_input_mols = {}
+        print(wanted_altloc)
         for reskey, pdb_block in blocks_by_residue.items():
             requested_altloc = wanted_altloc.get(reskey, None)
             missed_altloc = False
diff --git a/scripts/mk_prepare_receptor.py b/scripts/mk_prepare_receptor.py
index 7519c11f..c838daef 100755
--- a/scripts/mk_prepare_receptor.py
+++ b/scripts/mk_prepare_receptor.py
@@ -288,6 +288,24 @@ def get_args():
 
 args = get_args()
 
+if args.wanted_altloc is None:
+    wanted_altloc = None
+else:
+    wanted_altloc = parse_cmdline_res_assign(args.wanted_altloc)
+    # Ensure meaningful wanted_altloc
+    for key, value in wanted_altloc.items():
+        if isinstance(value, str) and value.strip() == "":
+            msg = "Wanted atloc cannot be an empty string or a string with just space"
+            print("Command line error: " + msg, file=sys.stderr)
+            sys.exit(2)
+
+
+# Ensure meaningful allowed_altloc
+if args.allowed_altloc is not None and args.allowed_altloc.strip()=="":
+    msg = "Allowed atloc cannot be an empty string or a string with just space"
+    print("Command line error: " + msg, file=sys.stderr)
+    sys.exit(2)
+
 # Default mapping of residue name and reactive atom name
 reactive_atom = {
     "SER": "OG",
@@ -342,11 +360,6 @@ def get_args():
             reactive_flexres.add(res_id)
             reactive_flexres_name[res_id] = ""
 
-if args.wanted_altloc is None:
-    wanted_altloc = None
-else:
-    wanted_altloc = parse_cmdline_res_assign(args.wanted_altloc)
-
 # Evaluate number of reactive flexible residues
 if len(reactive_flexres) > 8:
     msg = "got %d reactive_flexres but maximum is 8." % (len(args.reactive_flexres))

From 2dd642a1ed4b4238b271dfc12098b1abe3756b98 Mon Sep 17 00:00:00 2001
From: Amy He <ayhe1768@gmail.com>
Date: Fri, 4 Oct 2024 15:45:26 -0700
Subject: [PATCH 041/166] remove print used for testing

---
 meeko/linked_rdkit_chorizo.py | 1 -
 1 file changed, 1 deletion(-)

diff --git a/meeko/linked_rdkit_chorizo.py b/meeko/linked_rdkit_chorizo.py
index ae4c570f..32231218 100644
--- a/meeko/linked_rdkit_chorizo.py
+++ b/meeko/linked_rdkit_chorizo.py
@@ -1525,7 +1525,6 @@ def _add_if_new(to_dict, key, value, repeat_log):
 
         # create rdkit molecules from PDB strings for each residue
         raw_input_mols = {}
-        print(wanted_altloc)
         for reskey, pdb_block in blocks_by_residue.items():
             requested_altloc = wanted_altloc.get(reskey, None)
             missed_altloc = False

From 5845d5db9095cf58fe154792e78a2e548b4c1448 Mon Sep 17 00:00:00 2001
From: diogom <diogom@scripps.edu>
Date: Fri, 4 Oct 2024 18:08:10 -0700
Subject: [PATCH 042/166] altloc working for prody parsing

---
 meeko/linked_rdkit_chorizo.py  | 196 ++++++++++++++++++---------------
 meeko/utils/prodyutils.py      |  53 ++++-----
 meeko/utils/rdkitutils.py      |  39 +++++++
 scripts/mk_prepare_receptor.py |   6 +-
 4 files changed, 172 insertions(+), 122 deletions(-)

diff --git a/meeko/linked_rdkit_chorizo.py b/meeko/linked_rdkit_chorizo.py
index 32231218..71c92749 100644
--- a/meeko/linked_rdkit_chorizo.py
+++ b/meeko/linked_rdkit_chorizo.py
@@ -10,7 +10,6 @@
 from rdkit.Chem import rdFMCS
 from rdkit.Chem import rdChemReactions
 from rdkit.Chem import rdMolInterchange
-from rdkit.Chem import rdDetermineBonds
 
 from .molsetup import RDKitMoleculeSetup
 from .molsetup import MoleculeSetupEncoder
@@ -19,6 +18,7 @@
 from .utils.rdkitutils import react_and_map
 from .utils.rdkitutils import AtomField
 from .utils.rdkitutils import build_one_rdkit_mol_per_altloc
+from .utils.rdkitutils import _aux_altloc_mol_build
 from .utils.pdbutils import PDBAtomInfo
 
 import numpy as np
@@ -509,6 +509,45 @@ def _delete_residues(res_to_delete, raw_input_mols):
     return
 
 
+def handle_parsing_situations(
+    unmatched_res,
+    unparsed_res,
+    allow_bad_res,
+    res_missed_altloc,
+    res_needed_altloc,
+    ):
+    if unparsed_res:
+        msg = f"Failed parsing {unparsed_res}."
+        if allow_bad_res:
+            msg += " Ignored due to allow_bad_res."
+        logger.warning(msg)
+    if unmatched_res:
+        msg = f"Unmatched residues {list(unmatched_res)}"
+        if allow_bad_res:
+            msg += " ignored due to allow_bad_res."
+        logger.warning(msg)
+    if res_needed_altloc: 
+        msg = f"Have alternate location {res_needed_altloc}" + os_linesep
+        msg += "Either specify an altloc for each with option `wanted_altloc`" + os_linesep
+        msg += "or a general default altloc with option `allowed_altloc`."
+        logger.warning(msg)
+    if res_missed_altloc:
+        msg = f"Failed parsing {res_missed_altloc}. Requested altlocs weren't found."
+        logger.warning(msg)
+
+    msg = ""
+    if not allow_bad_res and unmatched_res:
+        msg += f"Failed matching templates for {list(unmatched_res)}" + os_linesep
+    elif not allow_bad_res and unparsed_res:
+        msg += f"Failed parsing {unparsed_res}." + os_linesep
+    if not allow_bad_res and (unmatched_res or unparsed_res):
+        msg += f"These can be ignored with option allow_bad_res" + os_linesep
+    if res_missed_altloc or res_needed_altloc:
+        msg += "Handle AltLocs with allowed_altloc or wanted_altloc" + os_linesep
+    if msg:
+        raise RuntimeError(msg)
+    return
+
 
 
 class ResidueChemTemplates:
@@ -803,35 +842,18 @@ def from_pdb_string(
             blunt_ends,
         )
 
-        if unparsed_res:
-            msg = f"Failed parsing {unparsed_res} for unknown reasons. Inspect the structure"
-            logger.warning(msg)
-        ignored_res = chorizo.get_ignored_residues()
-        if ignored_res:
-            logger.warning(f"got unmatched residues: {list(ignored_res)}")
-        if not allow_bad_res and ignored_res and unparsed_res:
-            msg = f"Failed parsing {unparsed_res}" + os_linesep
-            msg += f"Failed matching {list(ignored_res)}" + os_linesep
-            msg += f"These can be ignored with option allow_bad_res"
-            raise RuntimeError(msg)
-        elif not allow_bad_res and ignored_res:
-            msg = f"Failed matching {list(ignored_res)}. Ignore with option allow_bad_res"
-            raise RuntimeError(msg)
-        elif not allow_bad_res and unparsed_res:
-            msg = f"Failed parsing {unparsed_res}. Ignore with option allow_bad_res"
-            raise RuntimeError(msg)
-        if res_missed_altloc:
-            msg = f"Failed parsing {res_missed_altloc}. Requested altlocs weren't found."
-            logger.warning(msg)
-        if res_needed_altloc: 
-            msg = f"Failed parsing {res_needed_altloc} because of alternate locations" + os_linesep
-            msg += "Either specify an altloc for each with option `wanted_altloc`" + os_linesep
-            msg += "or a general default altloc with option `allowed_altloc`."
-            logger.warning(msg)
-        if res_missed_altloc or res_needed_altloc:
-            raise RuntimeError("Handle AltLocs with allowed_altloc or wanted_altloc")
+        unmatched_res = chorizo.get_ignored_residues()
+        handle_parsing_situations(
+            unmatched_res,
+            unparsed_res,
+            allow_bad_res,
+            res_missed_altloc,
+            res_needed_altloc,
+        )
+
         return chorizo
 
+
     @classmethod
     def from_prody(
         cls,
@@ -843,6 +865,8 @@ def from_prody(
         allow_bad_res=False,
         bonds_to_delete=None,
         blunt_ends=None,
+        wanted_altloc: Optional[dict]=None,
+        allowed_altloc: Optional[str]=None,
     ):
         """
 
@@ -856,13 +880,35 @@ def from_prody(
         allow_bad_res
         bonds_to_delete
         blunt_ends
+        wanted_altloc
+        allowed_altloc
 
         Returns
         -------
 
         """
-        raw_input_mols = cls._prody_to_residue_mols(prody_obj, None, None)
-        _delete_residues(residues_to_delete, raw_input_mols)
+
+        tmp_raw_input_mols = cls._prody_to_residue_mols(
+            prody_obj,
+            wanted_altloc,
+            allowed_altloc,
+        )
+        _delete_residues(residues_to_delete, tmp_raw_input_mols)
+        raw_input_mols = {}
+        res_needed_altloc = []
+        res_missed_altloc = []
+        unparsed_res = []
+        for res_id, stuff in tmp_raw_input_mols.items():
+            mol, resname, missed_altloc, needed_altloc = stuff
+            if mol is None and missed_altloc:
+                res_missed_altloc.append(res_id)
+            elif mol is None and needed_altloc:
+                res_needed_altloc.append(res_id)
+            elif mol is None:
+                unparsed_res.append(res_id)
+            else:
+                raw_input_mols[res_id] = (mol, resname)
+
         bonds = find_inter_mols_bonds(raw_input_mols)
         if bonds_to_delete is not None:
             for res1, res2 in bonds_to_delete:
@@ -878,8 +924,15 @@ def from_prody(
             set_template,
             blunt_ends,
         )
-        if not allow_bad_res and len(chorizo.get_ignored_residues()):
-            raise RuntimeError("got unmatched residues")
+        unmatched_res = chorizo.get_ignored_residues()
+        handle_parsing_situations(
+            unmatched_res,
+            unparsed_res,
+            allow_bad_res,
+            res_missed_altloc,
+            res_needed_altloc,
+        )
+
         return chorizo
 
     def parameterize(self, mk_prep):
@@ -1460,9 +1513,6 @@ def _pdb_to_residue_mols(
         interrupted_residues = set()
         pdb_block = []
 
-        if wanted_altloc is None:
-            wanted_altloc = {}
-
         def _add_if_new(to_dict, key, value, repeat_log):
             if key in to_dict:
                 repeat_log.add(key)
@@ -1523,46 +1573,22 @@ def _add_if_new(to_dict, key, value, repeat_log):
             msg += f"but got {violations=}"
             raise ValueError(msg)
 
-        # create rdkit molecules from PDB strings for each residue
+        if wanted_altloc is None:
+            wanted_altloc = {}
         raw_input_mols = {}
-        for reskey, pdb_block in blocks_by_residue.items():
+        for reskey, atom_field_list in blocks_by_residue.items():
             requested_altloc = wanted_altloc.get(reskey, None)
-            missed_altloc = False
-            needed_altloc = False
-            mols_dict = build_one_rdkit_mol_per_altloc(pdb_block) 
-            has_altloc = None not in mols_dict
-            if has_altloc and requested_altloc is None and allowed_altloc is None:
-                pdbmol = None
-                missed_altloc = False 
-                needed_altloc = True
-            elif requested_altloc and requested_altloc in mols_dict:
-                pdbmol, idx_to_rdkit = mols_dict[requested_altloc]
-            elif requested_altloc and requested_altloc not in mols_dict:
-                pdbmol = None
-                missed_altloc = True
-                needed_altoc = False
-            elif allowed_altloc and allowed_altloc in mols_dict:
-                pdbmol, idx_to_rdkit = mols_dict[allowed_altloc]
-            elif not has_altloc and requested_altloc is None:
-                pdbmol, idx_to_rdkit = mols_dict[None]
-            else:
-                raise RuntimeError("programming bug, please post full error on github")
-
+            pdbmol, _, missed_altloc, needed_altloc = _aux_altloc_mol_build(
+                atom_field_list,
+                requested_altloc,
+                allowed_altloc,
+            )
             resname = list(reskey_to_resname[reskey])[0]  # verified length 1
-
-            if pdbmol is None: 
-                raw_input_mols[reskey] = (pdbmol, resname, missed_altloc, needed_altloc)
-                #raise RuntimeError(f"An error occurred while trying to build pdb mol for {reskey} {resname}")
-            else:
-                rdDetermineBonds.DetermineConnectivity(pdbmol)
-                for atom in pdbmol.GetAtoms():
-                    if atom.GetAtomicNum() == 7 and len(atom.GetNeighbors()) == 4:
-                        atom.SetFormalCharge(1)
-                _ = Chem.SanitizeMol(pdbmol)
-                raw_input_mols[reskey] = (pdbmol, resname, missed_altloc, needed_altloc)
+            raw_input_mols[reskey] = (pdbmol, resname, missed_altloc, needed_altloc)
 
         return raw_input_mols
 
+
     @staticmethod
     def _prody_to_residue_mols(
             prody_obj: ALLOWED_PRODY_TYPES,
@@ -1579,6 +1605,7 @@ def _prody_to_residue_mols(
         -------
 
         """
+
         if wanted_altloc_dict is None:
             wanted_altloc_dict = {}
         raw_input_mols = {}
@@ -1590,35 +1617,28 @@ def _prody_to_residue_mols(
             # iterate residues
             for res in chain.iterResidues():
                 # gather residue info
-                chain_id = str(res.getChid())
-                res_name = str(res.getResname())
+                chain_id = str(res.getChid()).strip()
+                res_name = str(res.getResname()).strip()
                 res_num = int(res.getResnum())
                 res_index = int(res.getResnum())
-                icode = str(res.getIcode())
+                icode = str(res.getIcode()).strip()
                 reskey = f"{chain_id}:{res_num}{icode}"
                 reskey_to_resname.setdefault(reskey, set())
                 reskey_to_resname[reskey].add(res_name)
-                if reskey in wanted_altloc_dict:
-                    wanted_altloc = wanted_altloc_dict[reskey]
-                    this_res_allowed_altloc = None
-                else:
-                    wanted_altloc = None
-                    this_res_allowed_altloc = allowed_altloc
-                prody_mol, needed_altloc, not_found_altloc = prody_to_rdkit(
+                requested_altloc = wanted_altloc_dict.get(reskey, None)
+                prody_mol, missed_altloc, needed_altloc = prody_to_rdkit(
                     res,
-                    wanted_altloc,
-                    this_res_allowed_altloc,
+                    requested_altloc=requested_altloc,
+                    allowed_altloc=allowed_altloc,
                 )
-                if needed_altloc:
-                    continue
-                elif wanted_altloc:
-                    continue
-                mol_name = f"{chain_id}:{res_index}:{res_name}:{res_num}:{icode}"
-                prody_mol.SetProp("_Name", mol_name)
+                if prody_mol is not None:
+                    mol_name = f"{chain_id}:{res_index}:{res_name}:{res_num}:{icode}"
+                    prody_mol.SetProp("_Name", mol_name)
                 # we are not sanitizing because protonated LYS don't have the
                 # formal charge set on the N and Chem.SanitizeMol raises error
                 # Chem.SanitizeMol(prody_mol)
-                raw_input_mols[reskey] = (prody_mol, res_name)
+                raw_input_mols[reskey] = (prody_mol, res_name,
+                                          missed_altloc, needed_altloc)
         return raw_input_mols
 
     def to_pdb(self, use_modified_coords: bool = False, modified_coords_index: int = 0):
diff --git a/meeko/utils/prodyutils.py b/meeko/utils/prodyutils.py
index 68f06bdc..70f1de72 100644
--- a/meeko/utils/prodyutils.py
+++ b/meeko/utils/prodyutils.py
@@ -6,6 +6,7 @@
 from rdkit.Chem.rdchem import Mol
 from .rdkitutils import AtomField
 from .rdkitutils import build_one_rdkit_mol_per_altloc
+from .rdkitutils import _aux_altloc_mol_build
 
 from prody.atomic import ATOMIC_FIELDS
 from prody.atomic.atomgroup import AtomGroup
@@ -110,7 +111,7 @@ def prody_to_rdkit(
     prody_obj: ALLOWED_PRODY_TYPES,
     sanitize: bool = True,
     keep_bonds: bool = False,
-    wanted_altloc: Optional[str] = None,
+    requested_altloc: Optional[str] = None,
     allowed_altloc: Optional[str] = None,
 ) -> Mol:
     """
@@ -160,7 +161,7 @@ def prody_to_rdkit(
     wanted_altloc : Optional[str] (default: None)
         require specified alternate location
     allowed_altloc : Optional[str] (default: None)
-        if altlocs exist, use this one. Incompatible with wanted_altloc
+        if altlocs exist, use this one.
 
     Returns
     -------
@@ -172,47 +173,38 @@ def prody_to_rdkit(
         the requested altloc (with wanted_altloc) does not exist
     """
 
-    if wanted_altloc is not None and allowed_altloc is not None:
-        raise ValueError("can't use both wanted_altloc and allowed_altloc")
-
     atom_field_list = []
     indices_prody = []
     for atom in prody_obj:
         indices_prody.append(int(atom.getIndex()))
         x, y, z = atom.getCoords()
         atom_field = AtomField(
-            atomname=str(atom.getName()),
-            altloc=str(atom.getAltloc()),
-            resname=str(atom.getResname()),
-            chain=str(atom.getChid()),
+            atomname=str(atom.getName()).strip(),
+            altloc=str(atom.getAltloc()).strip(),
+            resname=str(atom.getResname()).strip(),
+            chain=str(atom.getChid()).strip(),
             resnum=int(atom.getResnum()),
-            icode=str(atom.getIcode()),
+            icode=str(atom.getIcode()).strip(),
             x=float(x),
             y=float(y),
             z=float(z),
-            element=str(atom.getElement()),
+            element=str(atom.getElement()).strip(),
         )
         atom_field_list.append(atom_field)
+    
+    rdmol, idx_to_rdkit, missed_altloc, needed_altloc = _aux_altloc_mol_build(
+        atom_field_list,
+        requested_altloc,
+        allowed_altloc,
+    )
 
-    mols_dict = build_one_rdkit_mol_per_altloc(atom_field_list) 
-    has_altloc = None not in mols_dict
-    if has_altloc and wanted_altloc is None and allowed_altloc is None:
-        return None, True, False 
-    elif wanted_altloc and wanted_altloc in mols_dict:
-        rdmol, idx_to_rdkit = mols_dict[wanted_altloc]
-    elif wanted_altloc and wanted_altloc not in mols_dict:
-        return None, False, True
-    elif allowed_altloc and allowed_altloc in mols_dict:
-        rdmol, idx_to_rdkit = mols_dict[allowed_altloc]
-    elif not has_altloc and wanted_altloc is None:
-        rdmol, idx_to_rdkit = mols_dict[None]
-    else:
-        raise RuntimeError("programming bug, please post full error on github")
+    if rdmol is None:
+        return None, missed_altloc, needed_altloc
 
     idx_prody_to_rdkit = {}
     idx_rdkit_to_prody = {}
-    for i, index_prody in enumerate(indices_prody):
-        index_rdkit = idx_to_rdkit[i]
+    for index_list, index_rdkit in idx_to_rdkit.items():
+        index_prody = indices_prody[index_list]
         idx_prody_to_rdkit[index_prody] = index_rdkit
         idx_rdkit_to_prody[index_rdkit] = index_prody
 
@@ -244,9 +236,8 @@ def prody_to_rdkit(
 
         mol.CommitBatchEdit()
         rdmol = mol.GetMol()
-    # add coordinates
-    rdmol.AddConformer(conformer, assignId=True)
-    # the molecule needs bonds, one way or another
+
+        # the molecule needs bonds, one way or another
     if bonds is None:
         rdDetermineBonds.DetermineConnectivity(rdmol)
     # sanitize the molecule if necessary
@@ -256,7 +247,7 @@ def prody_to_rdkit(
     # attach the bookkeeping to the molecule
     rdmol._idx_prody_to_rdkit = idx_prody_to_rdkit
     rdmol._idx_rdkit_to_prody = idx_rdkit_to_prody
-    return rdmol, False, False
+    return rdmol, missed_altloc, needed_altloc
 
 
 if __name__ == "__main__":
diff --git a/meeko/utils/rdkitutils.py b/meeko/utils/rdkitutils.py
index 968fa98c..71a0a9b8 100644
--- a/meeko/utils/rdkitutils.py
+++ b/meeko/utils/rdkitutils.py
@@ -2,6 +2,7 @@
 from .utils import mini_periodic_table
 from .pdbutils import PDBAtomInfo
 from rdkit.Geometry import Point3D
+from rdkit.Chem import rdDetermineBonds
 
 periodic_table = Chem.GetPeriodicTable()
 
@@ -232,3 +233,41 @@ def build_one_rdkit_mol_per_altloc(atom_fields_list):
         mol, idx_to_rdkit = _build_rdkit_mol_for_altloc(atom_fields_list, altloc)
         rdkit_mol_dict[altloc] = (mol, idx_to_rdkit)
     return rdkit_mol_dict
+
+
+def _aux_altloc_mol_build(atom_field_list, requested_altloc, allowed_altloc):
+    missed_altloc = False
+    needed_altloc = False
+    mols_dict = build_one_rdkit_mol_per_altloc(atom_field_list) 
+    has_altloc = None not in mols_dict
+    if has_altloc and requested_altloc is None and allowed_altloc is None:
+        pdbmol = None
+        missed_altloc = False 
+        needed_altloc = True
+    elif requested_altloc and requested_altloc in mols_dict:
+        pdbmol, idx_to_rdkit = mols_dict[requested_altloc]
+    elif requested_altloc and requested_altloc not in mols_dict:
+        pdbmol = None
+        missed_altloc = True
+        needed_altoc = False
+    elif allowed_altloc and allowed_altloc in mols_dict:
+        pdbmol, idx_to_rdkit = mols_dict[allowed_altloc]
+    elif has_altloc and allowed_altloc not in mols_dict:
+        pdbmol = None
+        needed_altloc = True
+        missed_altloc = False
+    elif not has_altloc and requested_altloc is None:
+        pdbmol, idx_to_rdkit = mols_dict[None]
+    else:
+        raise RuntimeError("programming bug, please post full error on github")
+    if pdbmol is None: 
+        idx_to_rdkit = None
+        return pdbmol, idx_to_rdkit, missed_altloc, needed_altloc
+    else:
+        rdDetermineBonds.DetermineConnectivity(pdbmol)
+        for atom in pdbmol.GetAtoms():
+            if atom.GetAtomicNum() == 7 and len(atom.GetNeighbors()) == 4:
+                atom.SetFormalCharge(1)
+        _ = Chem.SanitizeMol(pdbmol)
+
+    return pdbmol, idx_to_rdkit, missed_altloc, needed_altloc
diff --git a/scripts/mk_prepare_receptor.py b/scripts/mk_prepare_receptor.py
index c838daef..bec8b638 100755
--- a/scripts/mk_prepare_receptor.py
+++ b/scripts/mk_prepare_receptor.py
@@ -439,8 +439,7 @@ def get_args():
     ext = pathlib.Path(args.macromol).suffix[1:].lower()
     if ext in SUPPORTED_PRODY_FORMATS:
         parser = SUPPORTED_PRODY_FORMATS[ext]
-        # we should do something with the header...
-        input_obj, header = parser(args.macromol, header=True)
+        input_obj = parser(args.macromol, altloc="all")
         chorizo = LinkedRDKitChorizo.from_prody(
             input_obj,
             templates,
@@ -449,8 +448,9 @@ def get_args():
             del_res,
             args.allow_bad_res,
             blunt_ends=blunt_ends,
+            wanted_altloc=wanted_altloc,
+            allowed_altloc=args.allowed_altloc,
         )
-    # prody_mol = prody.
 else:
     with open(args.pdb) as f:
         pdb_string = f.read()

From 21d6213c365c371159bf00416508e35199219864 Mon Sep 17 00:00:00 2001
From: Amy He <ayhe1768@gmail.com>
Date: Mon, 7 Oct 2024 19:56:05 -0700
Subject: [PATCH 043/166] fix handling of target_required_atom_index during
 evaluation of fallback reactants

---
 meeko/linked_rdkit_chorizo.py | 9 ++++-----
 1 file changed, 4 insertions(+), 5 deletions(-)

diff --git a/meeko/linked_rdkit_chorizo.py b/meeko/linked_rdkit_chorizo.py
index 5be8b482..24085c64 100644
--- a/meeko/linked_rdkit_chorizo.py
+++ b/meeko/linked_rdkit_chorizo.py
@@ -1874,7 +1874,6 @@ def __call__(self, target_mol: Chem.Mol, adjacent_mol = None,
 
         # Ensure target_mol contains self.rxn's reactant
         rxn = self.rxn
-
         if not self._check_target_mol(target_mol):
             print(f"target_mol ({Chem.MolToSmiles(target_mol)}) is not fully compliant with the template rxn ({rdChemReactions.ReactionToSmarts(self.rxn)})...")
             # Assumes single reactant and single product
@@ -1886,13 +1885,13 @@ def __call__(self, target_mol: Chem.Mol, adjacent_mol = None,
             if fallback_reactant_smartsmol is None:
                 raise RuntimeError(f"target_mol does not contain the expected reactant.")
 
-            # Filter fallback options by target_required_atom_index
+            # Filter fallback options
+            # To be accepted, the fallback reactant needs to at least have a match with target_mol
+            # containing target_mol's atom with target_required_atom_index
             fallback_reactants = [
                 reactant_mol for reactant_mol in apply_atom_mappings(fallback_reactant_smartsmol, reactant_smartsmol)
-                if target_required_atom_index in get_molAtomMapNumbers(reactant_mol)
+                if any(target_required_atom_index in match for match in target_mol.GetSubstructMatches(reactant_mol))
             ]
-            if len(fallback_reactants) == 0:
-                raise RuntimeError(f"target_mol does not contain the expected reactant with the expected target_required_atom_index.")
             
             # Take any fallback reactant; actually, they're the same reactant mols having different mapping numbers
             fallback_reactant = fallback_reactants[0]

From 61f75477041a380567f3ba28ed062647776a84f1 Mon Sep 17 00:00:00 2001
From: Amy He <ayhe1768@gmail.com>
Date: Mon, 7 Oct 2024 20:00:33 -0700
Subject: [PATCH 044/166] update error messages

---
 meeko/linked_rdkit_chorizo.py | 4 +++-
 1 file changed, 3 insertions(+), 1 deletion(-)

diff --git a/meeko/linked_rdkit_chorizo.py b/meeko/linked_rdkit_chorizo.py
index 24085c64..c4f8a170 100644
--- a/meeko/linked_rdkit_chorizo.py
+++ b/meeko/linked_rdkit_chorizo.py
@@ -1883,7 +1883,7 @@ def __call__(self, target_mol: Chem.Mol, adjacent_mol = None,
             # Generate fallback options for reactants
             fallback_reactant_smartsmol = Chem.MolFromSmarts(rdFMCS.FindMCS([reactant_smartsmol, target_mol]).smartsString)
             if fallback_reactant_smartsmol is None:
-                raise RuntimeError(f"target_mol does not contain the expected reactant.")
+                raise RuntimeError(f"There is no common substructure between target_mol and the expected reactant. ")
 
             # Filter fallback options
             # To be accepted, the fallback reactant needs to at least have a match with target_mol
@@ -1892,6 +1892,8 @@ def __call__(self, target_mol: Chem.Mol, adjacent_mol = None,
                 reactant_mol for reactant_mol in apply_atom_mappings(fallback_reactant_smartsmol, reactant_smartsmol)
                 if any(target_required_atom_index in match for match in target_mol.GetSubstructMatches(reactant_mol))
             ]
+            if len(fallback_reactants) == 0:
+                raise RuntimeError(f"The maximum common substructure between target_mol and the expected reactant does not contain the expected linker atom with target_required_atom_index.")
             
             # Take any fallback reactant; actually, they're the same reactant mols having different mapping numbers
             fallback_reactant = fallback_reactants[0]

From b5c47d17ae07e51b5c769cfa2f45d56fb79ee7cc Mon Sep 17 00:00:00 2001
From: Amy He <ayhe1768@gmail.com>
Date: Mon, 7 Oct 2024 20:01:56 -0700
Subject: [PATCH 045/166] update inline comments

---
 meeko/linked_rdkit_chorizo.py | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/meeko/linked_rdkit_chorizo.py b/meeko/linked_rdkit_chorizo.py
index c4f8a170..1a367902 100644
--- a/meeko/linked_rdkit_chorizo.py
+++ b/meeko/linked_rdkit_chorizo.py
@@ -1885,7 +1885,7 @@ def __call__(self, target_mol: Chem.Mol, adjacent_mol = None,
             if fallback_reactant_smartsmol is None:
                 raise RuntimeError(f"There is no common substructure between target_mol and the expected reactant. ")
 
-            # Filter fallback options
+            # Add mapping number to fallback reactants and filter the fallback options
             # To be accepted, the fallback reactant needs to at least have a match with target_mol
             # containing target_mol's atom with target_required_atom_index
             fallback_reactants = [

From fb225633936d7ffb2f8391677c9dbc3950eebe79 Mon Sep 17 00:00:00 2001
From: Amy He <ayhe1768@gmail.com>
Date: Tue, 8 Oct 2024 10:49:32 -0700
Subject: [PATCH 046/166] minor corrections to type hints

---
 meeko/linked_rdkit_chorizo.py | 4 ++--
 1 file changed, 2 insertions(+), 2 deletions(-)

diff --git a/meeko/linked_rdkit_chorizo.py b/meeko/linked_rdkit_chorizo.py
index 1a367902..dd8820f2 100644
--- a/meeko/linked_rdkit_chorizo.py
+++ b/meeko/linked_rdkit_chorizo.py
@@ -1999,7 +1999,7 @@ def _check_adjacent_mol(expected_adjacent_smartsmol: Chem.Mol, adjacent_mol: Che
                 return False
         return True
 
-    def _check_target_mol(self, target_mol):
+    def _check_target_mol(self, target_mol: Chem.Mol):
         """Ensure target_mol contains self.rxn's reactant"""
         # Assumes single reactant
         if target_mol.GetSubstructMatches(self.rxn.GetReactantTemplate(0)):
@@ -2017,7 +2017,7 @@ def to_json(self):
 
 # Utility Functions
 
-def get_molAtomMapNumbers(mol: Chem.Mol) -> set:
+def get_molAtomMapNumbers(mol: Chem.Mol) -> set[int]:
     """Return the set of mapping numbers in a molecule."""
     return {atom.GetIntProp("molAtomMapNumber") for atom in mol.GetAtoms() if atom.HasProp("molAtomMapNumber")}
 

From 12a728da38ecbe70e31242f462f55a3febdeedc0 Mon Sep 17 00:00:00 2001
From: Amy He <ayhe1768@gmail.com>
Date: Tue, 8 Oct 2024 13:43:25 -0700
Subject: [PATCH 047/166] small edit to error messages

---
 meeko/linked_rdkit_chorizo.py | 4 ++--
 1 file changed, 2 insertions(+), 2 deletions(-)

diff --git a/meeko/linked_rdkit_chorizo.py b/meeko/linked_rdkit_chorizo.py
index dd8820f2..f18150f3 100644
--- a/meeko/linked_rdkit_chorizo.py
+++ b/meeko/linked_rdkit_chorizo.py
@@ -1946,9 +1946,9 @@ def __call__(self, target_mol: Chem.Mol, adjacent_mol = None,
 
         # Ensure single outcome
         if len(outcomes) == 0:
-            raise RuntimeError(f"No passing outcomes")
+            raise RuntimeError(f"The padding reaction of target_mol has no outcome that contains the atom with target_required_atom_index")
         elif len(outcomes) > 1:
-            raise RuntimeError(f"Multiple passing outcomes?")
+            raise RuntimeError(f"The padding reaction of target_mol has multiple outcomes that contain the atom with target_required_atom_index")
         padded_mol, idxmap = outcomes[0]
 
         padding_heavy_atoms = [

From b154f532a070d45eff8a14548ce3425b809dfc44 Mon Sep 17 00:00:00 2001
From: Amy He <ayhe1768@gmail.com>
Date: Tue, 8 Oct 2024 15:21:31 -0700
Subject: [PATCH 048/166] fix #142

---
 scripts/mk_prepare_ligand.py | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/scripts/mk_prepare_ligand.py b/scripts/mk_prepare_ligand.py
index 340acad7..d6ee5df8 100755
--- a/scripts/mk_prepare_ligand.py
+++ b/scripts/mk_prepare_ligand.py
@@ -413,7 +413,7 @@ def __call__(self, pdbqt_string, name, suffixes=()):
             self.duplicate_names.add(name)
         self.visited_names.add(name)
         if self.multimol_prefix is not None:
-            name = "%s-%d" % (args.multimol_prefix, self.counter)
+            name = "%s-%d" % (self.multimol_prefix, self.counter)
         for suffix in suffixes:
             if suffix is not None and len(suffix) > 0:
                 name += "_" + suffix

From bf7ad277ffacf1862c21cc42a14c4364aa36576c Mon Sep 17 00:00:00 2001
From: Amy He <ayhe1768@gmail.com>
Date: Tue, 8 Oct 2024 15:36:21 -0700
Subject: [PATCH 049/166] ensure closure of opened files and tarf

---
 scripts/mk_prepare_ligand.py | 8 ++++++--
 1 file changed, 6 insertions(+), 2 deletions(-)

diff --git a/scripts/mk_prepare_ligand.py b/scripts/mk_prepare_ligand.py
index d6ee5df8..948210e0 100755
--- a/scripts/mk_prepare_ligand.py
+++ b/scripts/mk_prepare_ligand.py
@@ -393,6 +393,8 @@ def _open_new_tar(self):
             self.multimol_output_dir,
             f"{prefix}{self.tarf_index:07d}.tar.gz"
         )
+        if self.tarf is not None:
+            self.tarf.close()
         tarf = tarfile.open(tgz_path, "w:gz")
         return tarf
 
@@ -438,7 +440,8 @@ def __call__(self, pdbqt_string, name, suffixes=()):
                 self._add_to_tar(pdbqt_string, name)
             else:
                 fpath = os.path.join(self.multimol_output_dir, name + ".pdbqt")
-                print(pdbqt_string, end="", file=open(fpath, "w"))
+                with open(fpath, "w") as f:
+                    print(pdbqt_string, end="", file=f)
             self.num_files_written += 1
 
         elif self.redirect_stdout:
@@ -448,7 +451,8 @@ def __call__(self, pdbqt_string, name, suffixes=()):
                 filename = "%s.pdbqt" % name
             else:
                 filename = self.output_filename
-            print(pdbqt_string, end="", file=open(filename, "w"))
+            with open(filename, "w") as f:
+                print(pdbqt_string, end="", file=f)
             self.num_files_written += 1
 
     def _mkdir(self, multimol_output_dir):

From 7dcb9b111d5cd73adc0d59f4e64ddccab58669aa Mon Sep 17 00:00:00 2001
From: Amy He <ayhe1768@gmail.com>
Date: Tue, 8 Oct 2024 16:33:03 -0700
Subject: [PATCH 050/166] assign nonzero exit codes as suggested by #64

---
 scripts/mk_prepare_ligand.py | 27 +++++++++++++++++++--------
 1 file changed, 19 insertions(+), 8 deletions(-)

diff --git a/scripts/mk_prepare_ligand.py b/scripts/mk_prepare_ligand.py
index 948210e0..1a4405a8 100755
--- a/scripts/mk_prepare_ligand.py
+++ b/scripts/mk_prepare_ligand.py
@@ -627,15 +627,26 @@ def get_suffixes(molsetups):
 
         input_mol_with_failure += int(this_mol_had_failure)
 
+    # Close the last tarf opened
     if output.tarf is not None:
         output.tarf.close()
 
+    # Print final status
+    print(
+        "Input molecules processed: %d, skipped: %d"
+        % (output.counter, input_mol_skipped)
+    )
+    print("PDBQT files written: %d" % (output.num_files_written))
+    print("PDBQT files not written due to error: %d" % (nr_failures))
+    print("Input molecules with errors: %d" % (input_mol_with_failure))
     if output.is_multimol:
-        print(
-            "Input molecules processed: %d, skipped: %d"
-            % (output.counter, input_mol_skipped)
-        )
-        print("PDBQT files written: %d" % (output.num_files_written))
-        print("PDBQT files not written due to error: %d" % (nr_failures))
-        print("Input molecules with errors: %d" % (input_mol_with_failure))
-        print(output.get_duplicates_info_string())
\ No newline at end of file
+        # would be None if not is_multimol
+        print(output.get_duplicates_info_string())
+
+    # Determine if exit code should be non-zero based on processing results
+    if output.num_files_written == 0:
+        print("No PDBQT files were written due to errors!")
+        sys.exit(1)  # full failure
+    elif input_mol_with_failure > 0:
+        print("Some molecules encountered errors!")
+        sys.exit(2)  # partial failure

From 7a1dd38fb8600e63fc83755894455c806a61c67c Mon Sep 17 00:00:00 2001
From: Amy He <ayhe1768@gmail.com>
Date: Tue, 8 Oct 2024 18:02:35 -0700
Subject: [PATCH 051/166] return exit code 3/4 for full/partial failure with
 mk_prepare_ligand.py

---
 scripts/mk_prepare_ligand.py | 4 ++--
 1 file changed, 2 insertions(+), 2 deletions(-)

diff --git a/scripts/mk_prepare_ligand.py b/scripts/mk_prepare_ligand.py
index 1a4405a8..de74d9fc 100755
--- a/scripts/mk_prepare_ligand.py
+++ b/scripts/mk_prepare_ligand.py
@@ -646,7 +646,7 @@ def get_suffixes(molsetups):
     # Determine if exit code should be non-zero based on processing results
     if output.num_files_written == 0:
         print("No PDBQT files were written due to errors!")
-        sys.exit(1)  # full failure
+        sys.exit(3)  # full failure
     elif input_mol_with_failure > 0:
         print("Some molecules encountered errors!")
-        sys.exit(2)  # partial failure
+        sys.exit(4)  # partial failure

From 4f04641b0941cb067f8e9f9b127ae4bbc79e04fe Mon Sep 17 00:00:00 2001
From: Amy He <ayhe1768@gmail.com>
Date: Tue, 8 Oct 2024 18:05:05 -0700
Subject: [PATCH 052/166] set mol name by filename and write to SDF

---
 meeko/rdkit_mol_create.py | 2 ++
 scripts/mk_export.py      | 3 ++-
 2 files changed, 4 insertions(+), 1 deletion(-)

diff --git a/meeko/rdkit_mol_create.py b/meeko/rdkit_mol_create.py
index 38146e39..b7a606f9 100644
--- a/meeko/rdkit_mol_create.py
+++ b/meeko/rdkit_mol_create.py
@@ -471,6 +471,8 @@ def write_sd_string(pdbqt_mol, only_cluster_leads=False):
             if len(pdbqt_mol._pose_data[key_in_pdbqt]) == nr_poses:
                 available_properties[key_in_mol] = key_in_pdbqt
         mol_level_data = json.loads(combined_mol.GetProp("meeko"))
+        if pdbqt_mol.name is not None:
+            combined_mol.SetProp("_Name", pdbqt_mol.name)
         for conformer in combined_mol.GetConformers():
             i = conformer.GetId()
             j = pose_idxs[i]
diff --git a/scripts/mk_export.py b/scripts/mk_export.py
index d7db56b4..afb8f584 100755
--- a/scripts/mk_export.py
+++ b/scripts/mk_export.py
@@ -56,7 +56,8 @@ def cmd_lineparser():
     else:
         with open(filename) as f:
             string = f.read()
-    pdbqt_mol = PDBQTMolecule(string, is_dlg=is_dlg, skip_typing=True)
+    pdbqt_mol = PDBQTMolecule(string, name = os.path.splitext(os.path.basename(filename))[0], 
+                              is_dlg=is_dlg, skip_typing=True)
 
     output_string, failures = RDKitMolCreate.write_sd_string(
             pdbqt_mol, only_cluster_leads=only_cluster_leads)

From 21c9a40211af77de0cf3e7bb79f27217a56f1bb1 Mon Sep 17 00:00:00 2001
From: diogom <diogom@scripps.edu>
Date: Tue, 8 Oct 2024 19:20:19 -0700
Subject: [PATCH 053/166] test chorizo/polymer creation with altloc

---
 meeko/linked_rdkit_chorizo.py                 |  19 ++--
 test/linked_rdkit_chorizo_creation_test.py    |  59 +++++++++++
 test/linked_rdkit_chorizo_data/has-altloc.pdb | 100 ++++++++++++++++++
 .../non-sequential-res.pdb                    |  13 +++
 4 files changed, 184 insertions(+), 7 deletions(-)
 create mode 100644 test/linked_rdkit_chorizo_data/has-altloc.pdb
 create mode 100644 test/linked_rdkit_chorizo_data/non-sequential-res.pdb

diff --git a/meeko/linked_rdkit_chorizo.py b/meeko/linked_rdkit_chorizo.py
index 71c92749..4ae9ea21 100644
--- a/meeko/linked_rdkit_chorizo.py
+++ b/meeko/linked_rdkit_chorizo.py
@@ -811,6 +811,10 @@ def from_pdb_string(
             wanted_altloc,
             allowed_altloc,
         )
+
+        # from here on it duplicates self.from_prody(), but extracting
+        # this out into a function felt like it sacrificed readibility
+        # so I decided to keep the duplication.
         _delete_residues(residues_to_delete, tmp_raw_input_mols)
         raw_input_mols = {}
         res_needed_altloc = []
@@ -893,6 +897,10 @@ def from_prody(
             wanted_altloc,
             allowed_altloc,
         )
+
+        # from here on it duplicates self.from_pdb_string(), but extracting
+        # this out into a function felt like it sacrificed readibility
+        # so I decided to keep the duplication.
         _delete_residues(residues_to_delete, tmp_raw_input_mols)
         raw_input_mols = {}
         res_needed_altloc = []
@@ -1620,23 +1628,20 @@ def _prody_to_residue_mols(
                 chain_id = str(res.getChid()).strip()
                 res_name = str(res.getResname()).strip()
                 res_num = int(res.getResnum())
-                res_index = int(res.getResnum())
                 icode = str(res.getIcode()).strip()
                 reskey = f"{chain_id}:{res_num}{icode}"
                 reskey_to_resname.setdefault(reskey, set())
                 reskey_to_resname[reskey].add(res_name)
                 requested_altloc = wanted_altloc_dict.get(reskey, None)
+                # we are not sanitizing because protonated LYS don't have the
+                # formal charge set on the N and Chem.SanitizeMol raises error
+                # Chem.SanitizeMol(prody_mol)
                 prody_mol, missed_altloc, needed_altloc = prody_to_rdkit(
                     res,
+                    sanitize=False,
                     requested_altloc=requested_altloc,
                     allowed_altloc=allowed_altloc,
                 )
-                if prody_mol is not None:
-                    mol_name = f"{chain_id}:{res_index}:{res_name}:{res_num}:{icode}"
-                    prody_mol.SetProp("_Name", mol_name)
-                # we are not sanitizing because protonated LYS don't have the
-                # formal charge set on the N and Chem.SanitizeMol raises error
-                # Chem.SanitizeMol(prody_mol)
                 raw_input_mols[reskey] = (prody_mol, res_name,
                                           missed_altloc, needed_altloc)
         return raw_input_mols
diff --git a/test/linked_rdkit_chorizo_creation_test.py b/test/linked_rdkit_chorizo_creation_test.py
index e1a429ca..f20a9a11 100644
--- a/test/linked_rdkit_chorizo_creation_test.py
+++ b/test/linked_rdkit_chorizo_creation_test.py
@@ -23,6 +23,8 @@
 disulfide_bridge = pkgdir / "test/linked_rdkit_chorizo_data/just_a_disulfide_bridge.pdb"
 loop_with_disulfide = pkgdir / "test/linked_rdkit_chorizo_data/loop_with_disulfide.pdb"
 insertion_code = pkgdir / "test/linked_rdkit_chorizo_data/1igy_B_82-83_has-icode.pdb"
+non_sequential_res = pkgdir / "test/linked_rdkit_chorizo_data/non-sequential-res.pdb"
+has_altloc = pkgdir / "test/linked_rdkit_chorizo_data/has-altloc.pdb"
 
 
 # TODO: add checks for untested chorizo fields (e.g. input options not indicated here)
@@ -341,3 +343,60 @@ def test_write_pdb_AHHY():
         mk_prep,
         blunt_ends=[("A:1", 0)],
     )
+
+def test_non_seq_res():
+    """the residue atoms are interrupted (not in contiguous lines)
+        which should cause the parser to throw an error. Here we
+        check the an error is thrown.
+    """
+    with open(non_sequential_res, "r") as f:
+        pdb_text = f.read()
+    with pytest.raises(ValueError) as err_msg:
+        chorizo = LinkedRDKitChorizo.from_pdb_string(
+            pdb_text,
+            chem_templates,
+            mk_prep,
+        )
+    assert str(err_msg.value).startswith("interrupted")
+
+def test_altloc():
+    with open(has_altloc, "r") as f:
+        pdb_text = f.read()
+    with pytest.raises(RuntimeError) as err_msg:
+        chorizo = LinkedRDKitChorizo.from_pdb_string(
+            pdb_text,
+            chem_templates,
+            mk_prep,
+        )
+    assert str(err_msg.value).startswith("Handle AltLocs")
+
+    chorizo = LinkedRDKitChorizo.from_pdb_string(
+        pdb_text,
+        chem_templates,
+        mk_prep,
+        allowed_altloc="B",
+    )
+    res = chorizo.residues["A:264"]
+    xyz = res.rdkit_mol.GetConformer().GetPositions()
+    for atom in res.rdkit_mol.GetAtoms():
+        index = atom.GetIdx()
+        name = res.atom_names[index]
+        if name == "OG":
+            break
+    assert abs(xyz[index][0] - 11.220) < 0.001
+
+    chorizo = LinkedRDKitChorizo.from_pdb_string(
+        pdb_text,
+        chem_templates,
+        mk_prep,
+        allowed_altloc="B",
+        wanted_altloc={"A:264": "A"}
+    )
+    res = chorizo.residues["A:264"]
+    xyz = res.rdkit_mol.GetConformer().GetPositions()
+    for atom in res.rdkit_mol.GetAtoms():
+        index = atom.GetIdx()
+        name = res.atom_names[index]
+        if name == "OG":
+            break
+    assert abs(xyz[index][0] - 12.346) < 0.001
diff --git a/test/linked_rdkit_chorizo_data/has-altloc.pdb b/test/linked_rdkit_chorizo_data/has-altloc.pdb
new file mode 100644
index 00000000..ec409962
--- /dev/null
+++ b/test/linked_rdkit_chorizo_data/has-altloc.pdb
@@ -0,0 +1,100 @@
+ATOM      1  N   SER A 261      16.053  -1.300  -0.874  1.00 16.83      A    N  
+ANISOU    1  N   SER A 261     2250   2350   1793   -180    -13    105  A    N  
+ATOM      2  CA ASER A 261      15.221  -0.387  -0.061  0.70 18.11      A    C  
+ANISOU    2  CA ASER A 261     2466   2488   1926   -225     15     77  A    C  
+ATOM      3  CA BSER A 261      15.171  -0.494  -0.038  0.30 16.69      A    C  
+ANISOU    3  CA BSER A 261     2287   2308   1747   -223     14     78  A    C  
+ATOM      4  C   SER A 261      13.922  -0.115  -0.823  1.00 20.49      A    C  
+ANISOU    4  C   SER A 261     2780   2753   2251   -192     64     54  A    C  
+ATOM      5  O   SER A 261      12.828  -0.243  -0.273  1.00 19.34      A    O  
+ANISOU    5  O   SER A 261     2669   2584   2094   -197     87     34  A    O  
+ATOM      6  CB ASER A 261      15.959   0.931   0.154  0.70 22.95      A    C  
+ANISOU    6  CB ASER A 261     3082   3105   2531   -273     13     69  A    C  
+ATOM      7  CB BSER A 261      15.890   0.720   0.522  0.30 18.87      A    C  
+ANISOU    7  CB BSER A 261     2576   2592   2004   -280      7     69  A    C  
+ATOM      8  OG ASER A 261      15.100   1.995   0.547  0.70 26.52      A    O  
+ANISOU    8  OG ASER A 261     3576   3522   2979   -302     49     27  A    O  
+ATOM      9  OG BSER A 261      15.138   1.267   1.593  0.30 18.47      A    O  
+ANISOU    9  OG BSER A 261     2578   2522   1918   -325     29     32  A    O  
+ATOM     10  N   LEU A 262      14.063   0.252  -2.115  1.00 17.11      A    N  
+ANISOU   10  N   LEU A 262     2319   2326   1856   -163     76     60  A    N  
+ATOM     11  CA  LEU A 262      12.881   0.560  -2.930  1.00 16.12      A    C  
+ANISOU   11  CA  LEU A 262     2199   2166   1758   -137    114     49  A    C  
+ATOM     12  C   LEU A 262      11.996  -0.689  -3.069  1.00 18.69      A    C  
+ANISOU   12  C   LEU A 262     2531   2483   2086    -95    118     50  A    C  
+ATOM     13  O   LEU A 262      10.779  -0.607  -2.861  1.00 17.57      A    O  
+ANISOU   13  O   LEU A 262     2416   2307   1951    -93    145     36  A    O  
+ATOM     14  CB  LEU A 262      13.290   1.089  -4.318  1.00 15.84      A    C  
+ANISOU   14  CB  LEU A 262     2123   2148   1748   -124    119     67  A    C  
+ATOM     15  CG  LEU A 262      12.139   1.278  -5.304  1.00 18.00      A    C  
+ANISOU   15  CG  LEU A 262     2396   2394   2051   -101    147     69  A    C  
+ATOM     16  CD1 LEU A 262      11.125   2.270  -4.802  1.00 18.66      A    C  
+ANISOU   16  CD1 LEU A 262     2512   2418   2159   -123    171     50  A    C  
+ATOM     17  CD2 LEU A 262      12.674   1.689  -6.691  1.00 19.17      A    C  
+ANISOU   17  CD2 LEU A 262     2499   2577   2208   -100    144     96  A    C  
+ATOM     18  N   LEU A 263      12.604  -1.837  -3.367  1.00 15.64      A    N  
+ANISOU   18  N   LEU A 263     2118   2122   1701    -65     88     65  A    N  
+ATOM     19  CA  LEU A 263      11.818  -3.060  -3.530  1.00 15.34      A    C  
+ANISOU   19  CA  LEU A 263     2085   2069   1675    -27     83     67  A    C  
+ATOM     20  C   LEU A 263      11.046  -3.386  -2.255  1.00 17.14      A    C  
+ANISOU   20  C   LEU A 263     2355   2278   1881    -53     80     68  A    C  
+ATOM     21  O   LEU A 263       9.858  -3.754  -2.322  1.00 17.40      A    O  
+ANISOU   21  O   LEU A 263     2405   2285   1920    -39     98     66  A    O  
+ATOM     22  CB  LEU A 263      12.700  -4.247  -3.947  1.00 15.70      A    C  
+ANISOU   22  CB  LEU A 263     2091   2138   1738     10     44     75  A    C  
+ATOM     23  CG  LEU A 263      11.944  -5.567  -4.132  1.00 17.09      A    C  
+ANISOU   23  CG  LEU A 263     2269   2288   1935     49     28     76  A    C  
+ATOM     24  CD1 LEU A 263      10.910  -5.483  -5.282  1.00 17.30      A    C  
+ANISOU   24  CD1 LEU A 263     2301   2300   1974     77     62     61  A    C  
+ATOM     25  CD2 LEU A 263      12.896  -6.668  -4.409  1.00 19.54      A    C  
+ANISOU   25  CD2 LEU A 263     2537   2611   2276     86    -13     75  A    C  
+ATOM     26  N   SER A 264      11.710  -3.245  -1.094  1.00 15.25      A    N  
+ANISOU   26  N   SER A 264     2127   2057   1609    -98     58     75  A    N  
+ATOM     27  CA ASER A 264      11.029  -3.530   0.174  0.70 15.83      A    C  
+ANISOU   27  CA ASER A 264     2239   2130   1647   -137     55     77  A    C  
+ATOM     28  CA BSER A 264      11.021  -3.531   0.166  0.30 14.93      A    C  
+ANISOU   28  CA BSER A 264     2125   2016   1534   -136     56     77  A    C  
+ATOM     29  C   SER A 264       9.796  -2.642   0.363  1.00 17.91      A    C  
+ANISOU   29  C   SER A 264     2533   2371   1903   -151    113     42  A    C  
+ATOM     30  O   SER A 264       8.796  -3.082   0.939  1.00 20.01      A    O  
+ANISOU   30  O   SER A 264     2819   2632   2152   -161    126     42  A    O  
+ATOM     31  CB ASER A 264      11.999  -3.414   1.346  0.70 19.61      A    C  
+ANISOU   31  CB ASER A 264     2726   2641   2084   -193     20     90  A    C  
+ATOM     32  CB BSER A 264      11.960  -3.393   1.353  0.30 17.66      A    C  
+ANISOU   32  CB BSER A 264     2480   2393   1836   -193     22     89  A    C  
+ATOM     33  OG ASER A 264      12.346  -2.070   1.638  0.70 21.61      A    O  
+ANISOU   33  OG ASER A 264     2994   2899   2317   -232     44     61  A    O  
+ATOM     34  OG BSER A 264      11.220  -3.648   2.534  0.30 17.69      A    O  
+ANISOU   34  OG BSER A 264     2519   2408   1793   -238     25     91  A    O  
+ATOM     35  N   GLN A 265       9.868  -1.374  -0.086  1.00 15.39      A    N  
+ANISOU   35  N   GLN A 265     2212   2037   1601   -156    144     14  A    N  
+ATOM     36  CA AGLN A 265       8.752  -0.455   0.063  0.60 15.16      A    C  
+ANISOU   36  CA AGLN A 265     2202   1974   1583   -164    196    -23  A    C  
+ATOM     37  CA BGLN A 265       8.738  -0.471   0.069  0.40 15.11      A    C  
+ANISOU   37  CA BGLN A 265     2196   1968   1577   -164    196    -22  A    C  
+ATOM     38  C   GLN A 265       7.635  -0.806  -0.921  1.00 17.43      A    C  
+ANISOU   38  C   GLN A 265     2477   2231   1915   -117    217    -13  A    C  
+ATOM     39  O   GLN A 265       6.463  -0.533  -0.654  1.00 17.74      A    O  
+ANISOU   39  O   GLN A 265     2529   2245   1965   -118    255    -34  A    O  
+ATOM     40  CB AGLN A 265       9.219   1.009  -0.090  0.60 15.80      A    C  
+ANISOU   40  CB AGLN A 265     2282   2037   1686   -186    211    -51  A    C  
+ATOM     41  CB BGLN A 265       9.179   0.991  -0.054  0.40 16.12      A    C  
+ANISOU   41  CB BGLN A 265     2323   2077   1725   -187    212    -51  A    C  
+ATOM     42  CG AGLN A 265      10.249   1.398   0.990  0.60 15.72      A    C  
+ANISOU   42  CG AGLN A 265     2288   2057   1630   -241    189    -64  A    C  
+ATOM     43  CG BGLN A 265      10.002   1.439   1.154  0.40 20.58      A    C  
+ANISOU   43  CG BGLN A 265     2909   2668   2241   -244    198    -73  A    C  
+ATOM     44  CD AGLN A 265      10.428   2.893   1.093  0.60 18.72      A    C  
+ANISOU   44  CD AGLN A 265     2674   2406   2031   -270    206   -103  A    C  
+ATOM     45  CD BGLN A 265      10.728   2.719   0.855  0.40 26.62      A    C  
+ANISOU   45  CD BGLN A 265     3667   3415   3033   -264    194    -87  A    C  
+ATOM     46  NE2AGLN A 265       9.941   3.474   2.151  0.60 22.68      A    N  
+ANISOU   46  NE2AGLN A 265     3208   2899   2509   -309    236   -158  A    N  
+ATOM     47  NE2BGLN A 265      10.007   3.822   0.884  0.40 20.47      A    N  
+ANISOU   47  NE2BGLN A 265     2898   2589   2292   -271    231   -132  A    N  
+ATOM     48  OE1AGLN A 265      11.041   3.541   0.245  0.60 21.43      A    O  
+ANISOU   48  OE1AGLN A 265     2994   2736   2412   -263    192    -86  A    O  
+ATOM     49  OE1BGLN A 265      11.924   2.729   0.547  0.40 20.96      A    O  
+ANISOU   49  OE1BGLN A 265     2929   2722   2311   -272    157    -56  A    O  
+TER   
+END
diff --git a/test/linked_rdkit_chorizo_data/non-sequential-res.pdb b/test/linked_rdkit_chorizo_data/non-sequential-res.pdb
new file mode 100644
index 00000000..359675da
--- /dev/null
+++ b/test/linked_rdkit_chorizo_data/non-sequential-res.pdb
@@ -0,0 +1,13 @@
+ATOM      1  N   GLY P   1      -6.778  -1.424   4.200  1.00  0.00           N  
+ATOM      2  CA  GLY P   1      -6.878  -0.708   2.896  1.00  0.00           C  
+ATOM      3  CAY ACE P   0      -6.438  -3.380   5.569  1.00  0.00           C  
+ATOM      4  C   GLY P   1      -5.557  -0.840   2.138  1.00  0.00           C  
+ATOM      5  O   GLY P   1      -4.640  -1.504   2.579  1.00  0.00           O  
+ATOM      6  CY  ACE P   0      -6.521  -2.744   4.224  1.00  0.00           C  
+ATOM      7  OY  ACE P   0      -6.360  -3.405   3.200  1.00  0.00           O  
+ATOM      8  HN  GLY P   1      -6.909  -0.881   5.026  1.00  0.00           H  
+ATOM      9  HA1 GLY P   1      -7.046   0.342   3.095  1.00  0.00           H  
+ATOM     10  HA2 GLY P   1      -7.677  -1.140   2.309  1.00  0.00           H  
+ATOM     11  HY1 ACE P   0      -6.612  -2.613   6.354  1.00  0.00           H  
+ATOM     12  HY2 ACE P   0      -5.430  -3.827   5.706  1.00  0.00           H  
+ATOM     13  HY3 ACE P   0      -7.209  -4.175   5.652  1.00  0.00           H  

From 8568a91076b328dcccc7b0db42b4684e7dfe1b45 Mon Sep 17 00:00:00 2001
From: Amy He <ayhe1768@gmail.com>
Date: Tue, 8 Oct 2024 20:30:26 -0700
Subject: [PATCH 054/166] move the mol is_valid check before mol.HasProp /
 mol.GetProp

---
 scripts/mk_prepare_ligand.py | 18 +++++++++---------
 1 file changed, 9 insertions(+), 9 deletions(-)

diff --git a/scripts/mk_prepare_ligand.py b/scripts/mk_prepare_ligand.py
index de74d9fc..3402c439 100755
--- a/scripts/mk_prepare_ligand.py
+++ b/scripts/mk_prepare_ligand.py
@@ -556,15 +556,6 @@ def get_suffixes(molsetups):
             )
             break
 
-        if args.name_from_prop is not None:
-            if mol.HasProp(args.name_from_prop):
-                name = mol.GetProp(args.name_from_prop)
-            else:
-                continue  # TODO log this event
-        else:
-            name = mol.GetProp("_Name")
-        is_after_first = True
-
         # check that molecule was successfully loaded
         if backend == "rdkit":
             is_valid = mol is not None
@@ -574,6 +565,15 @@ def get_suffixes(molsetups):
 
         this_mol_had_failure = False
 
+        if args.name_from_prop is not None:
+            if mol.HasProp(args.name_from_prop):
+                name = mol.GetProp(args.name_from_prop)
+            else:
+                continue  # TODO log this event
+        else:
+            name = mol.GetProp("_Name")
+        is_after_first = True
+
         if is_covalent:
             for cov_lig in covalent_builder.process(
                 mol, args.tether_smarts, args.tether_smarts_indices

From 6b3a18300638559a5b753c92e316abfc2c1fc943 Mon Sep 17 00:00:00 2001
From: Amy He <ayhe1768@gmail.com>
Date: Tue, 8 Oct 2024 21:39:49 -0700
Subject: [PATCH 055/166] add missing ambiguous dict for ALA

---
 meeko/data/residue_chem_templates.json | 1 +
 1 file changed, 1 insertion(+)

diff --git a/meeko/data/residue_chem_templates.json b/meeko/data/residue_chem_templates.json
index 52e475eb..3c879871 100644
--- a/meeko/data/residue_chem_templates.json
+++ b/meeko/data/residue_chem_templates.json
@@ -12,6 +12,7 @@
 		"CYS": ["CYS", "CYX", "CYX-", "NCYS", "NCYX", "NCYX-", "CCYS", "CCYX", "CCYX-"],
 		"CYX": [       "CYX", "CYX-",         "NCYX", "NCYX-",         "CCYX", "CCYX-"],
 		"CYM": [              "CYX-",                 "NCYX-",                 "CCYX-"],
+		"ALA": ["ALA", "NALA", "CALA"],
 		"ASP": ["ASP", "NASP", "CASP", "ASH", "CASH", "NASH"],
 		"ASH": ["ASH", "NASH", "CASH"],
 		"GLU": ["GLU", "NGLU", "CGLU", "GLH", "NGLH", "CGLH"],

From 1d779d0e0e8152f968eaadd680ccdd8d56ca61db Mon Sep 17 00:00:00 2001
From: Amy He <ayhe1768@gmail.com>
Date: Wed, 9 Oct 2024 20:18:29 -0700
Subject: [PATCH 056/166] small fixes to guard against KeyError and
 UnboundLocalError

---
 meeko/linked_rdkit_chorizo.py | 8 ++++++++
 1 file changed, 8 insertions(+)

diff --git a/meeko/linked_rdkit_chorizo.py b/meeko/linked_rdkit_chorizo.py
index ccb67ec7..14d53361 100644
--- a/meeko/linked_rdkit_chorizo.py
+++ b/meeko/linked_rdkit_chorizo.py
@@ -178,6 +178,12 @@ def find_inter_mols_bonds(mols_dict):
             for a2 in mols_dict[keys[j]][0].GetAtoms():
                 vec = p1[a1.GetIdx()] - p2[a2.GetIdx()]
                 distsqr = np.dot(vec, vec)
+
+                # check if atom has implemented covalent radius
+                for atom in [a1, a2]:
+                    if atom.GetAtomicNum() not in covalent_radius:
+                        raise RuntimeError(f"Element {periodic_table.GetElementSymbol(atom.GetAtomicNum())} doesn't have an implemented covalent radius, which was required for the perception of intermolecular bonds. ")
+                    
                 cov_dist = (
                     covalent_radius[a1.GetAtomicNum()]
                     + covalent_radius[a2.GetAtomicNum()]
@@ -1127,6 +1133,8 @@ def _get_residues(
             elif len(ambiguous[input_resname]) == 1:
                 template_key = ambiguous[input_resname][0]
                 template = residue_templates[template_key]
+                candidate_template_keys = [template_key]
+                candidate_templates = [template]
             else:
                 candidate_template_keys = []
                 candidate_templates = []

From de15f291584a82d2ddea97c8682c05bade973d42 Mon Sep 17 00:00:00 2001
From: diogom <diogom@scripps.edu>
Date: Fri, 11 Oct 2024 10:25:27 -0700
Subject: [PATCH 057/166] mk_prepare_receptor --output_basename for --write
 flags

---
 scripts/mk_prepare_receptor.py | 436 +++++++++++++++++++++------------
 1 file changed, 278 insertions(+), 158 deletions(-)

diff --git a/scripts/mk_prepare_receptor.py b/scripts/mk_prepare_receptor.py
index 9334f739..bb442cc9 100755
--- a/scripts/mk_prepare_receptor.py
+++ b/scripts/mk_prepare_receptor.py
@@ -102,38 +102,81 @@ def check(success, error_msg):
         print("Error: " + error_msg, file=sys.stderr)
         sys.exit(2)
 
+def required_length(nmin, nmax):
+    class RequiredLength(argparse.Action):
+        def __call__(self, parser, namespace, values, option_string=None):
+            if not nmin <= len(values) <= nmax:
+                msg = "fargument {self.dest} requires between"
+                msg += " {nmin} and {nmax} arguments"
+                raise argparse.ArgumentTypeError(msg)
+            setattr(namespace, self.dest, values)
+    return RequiredLength
 
 def get_args():
     parser = TalkativeParser()
 
     io_group = parser.add_argument_group("Input/Output")
     io_group.add_argument(
-        "--pdb",
-        help="non-prody option, reads PDB (not PDBQT)",
+        "--read_pdb",
+        metavar="PDB_FILENAME",
+        help="reads PDB, not PDBQT, and does not use ProDy",
     )
     need_prody_msg = ""
     # if prody is not installed, the help message is extended to tell
     # the user how to install prody
     if not _got_prody:
         need_prody_msg = " which can be installed from PyPI or conda-forge."
-    io_group.add_argument("--macromol", help=f"read PDB/mmCIF input file with Prody{need_prody_msg}")
+    io_group.add_argument(
+        "-i",
+        "--read_with_prody",
+        metavar="MACROMOL_FILENAME",
+        help=f"reads PDB/mmCIF file with Prody{need_prody_msg}")
     io_group.add_argument(
         "-o",
-        "--output_filename",
-        required=True,
-        help="adds _rigid/_flex with flexible residues. Always suffixes .pdbqt.",
+        "--output_basename",
+        help="default basename for --write options used without filename",
+    )
+    io_group.add_argument(
+        "-p", "--write_pdbqt",
+        metavar="PDBQT_FILENAME",
+        nargs="*",
+        help="adds _rigid/_flex with flexible residues (filename defaults to --output_basename when not specified)",
     )
-    io_group.add_argument("-j", "--write_json", help="dump chorizo to JSON file", action="store_true")
+    io_group.add_argument(
+        "-j", "--write_json",
+        metavar="JSON_FILENAME",
+        help="parameterized receptor (filename defaults to --output_basename when not specified)",
+        nargs="*",
+        action=required_length(0, 1))
+
+    io_group.add_argument(
+        "--write_pdb",
+        help="prepared receptor (must specify filename)",
+        metavar="PDB_FILENAME",
+    )
+    io_group.add_argument(
+        "-g",
+        "--write_gpf",
+        metavar="GPF_FILENAME",
+        help="autogrid input file (filename defaults to --output_basename when not specified)",
+        nargs="*",
+        action=required_length(0, 1))
+    io_group.add_argument(
+        "-v", "--write_vina_box",
+        metavar="VINA_BOX_FILENAME",
+        help="config file for Vina with box dimensions (filename defaults to --output_basename when not specified_",
+        nargs="*",
+        action=required_length(0, 1))
+
 
     config_group = parser.add_argument_group("Receptor perception")
     config_group.add_argument("-n", "--set_template", help="e.g. A:5,7=CYX,B:17=HID")
-    config_group.add_argument("--delete_residues", help="e.g. A:350,B:15,16,17")
-    config_group.add_argument("--blunt_ends", help="e.g. A:123,200=2,A:1=0")
-    config_group.add_argument("--chorizo_config", help="[.json]")
-    config_group.add_argument("--add_templates", help="[.json]")
-    config_group.add_argument("--mk_config", help="[.json]")
+    config_group.add_argument("-d", "--delete_residues", help="e.g. A:350,B:15,16,17")
+    config_group.add_argument("-b", "--blunt_ends", help="e.g. A:123,200=2,A:1=0")
+    config_group.add_argument("--add_templates", help="[.json]", metavar="JSON_FILENAME")
+    config_group.add_argument("--mk_config", help="[.json]", metavar="JSON_FILENAME")
     config_group.add_argument(
-        "--allow_bad_res",
+        "-a", "--allow_bad_res",
         action="store_true",
         help="delete residues with missing atoms instead of raising error",
     )
@@ -148,17 +191,16 @@ def get_args():
     )
 
     box_group = parser.add_argument_group("Size and center of grid box")
-    # box_group.add_argument('-b', '--gridbox_filename', help="set grid box size and center using a Vina configuration file")
-    box_group.add_argument(
-        "--skip_gpf", help="do not write a GPF file for autogrid", action="store_true"
-    )
+
     box_group.add_argument(
-        "--box_size", help="size of grid box (x, y, z) in Angstrom", nargs=3, type=float
+        "--box_size", help="size of grid box (x, y, z) in Angstrom", nargs=3, type=float,
+        metavar=("X", "Y", "Z"),
     )
     box_group.add_argument(
         "--box_center",
         help="center of grid box (x, y, z) in Angstrom",
         nargs=3,
+        metavar=("X", "Y", "Z"),
         type=float,
     )
     box_group.add_argument(
@@ -168,6 +210,7 @@ def get_args():
     )
     box_group.add_argument(
         "--box_enveloping",
+        metavar="FILENAME",
         help="Box will envelop atoms in this file [.sdf .mol .mol2 .pdb .pdbqt]",
     )
     box_group.add_argument(
@@ -183,7 +226,6 @@ def get_args():
         help='same as --flexres but for reactive residues (max 8)',
     )
     reactive_group.add_argument(
-        "-g",
         "--reactive_name",
         action="append",
         default=[],
@@ -222,17 +264,32 @@ def get_args():
         help="r_eq scaling for 1-4 interaction across reactive atoms",
     )
     args = parser.parse_args()
+    
+    if args.read_pdb is None and args.read_with_prody is None:
+        parser.print_help()
+        msg = "Need input filename: use either -i/--read_with_prody or --read_pdb"
+        print(os_linesep + msg)
+        sys.exit(2)
+
+    if args.read_pdb is not None and args.read_with_prody is not None:
+        msg = "Can't use both -i/--read_with_prody and --read_pdb"
+        print(os_linesep + msg, file=sys.stderr)
+        sys.exit(2)
 
-    if (args.pdb is None) == (args.macromol is None):
-        msg = "need either --pdb or --macromol, but not both"
-        print("Command line error: " + msg, file=sys.stderr)
+    if args.write_gpf is not None and args.write_pdbqt is None:
+        # there's a few of places that assume this condition has been checked
+        msg = "--write_gpf requires --write_pdbqt because autogrid expects"
+        msg += " the GPF file to point to the PDBQT file." 
+        print(os_linesep + msg)
         sys.exit(2)
 
-    if not args.skip_gpf:
+    skip_gpf = args.write_gpf is None and args.write_vina_box is None
+    if not skip_gpf:
 
         box_help = f"""
-    either explcitly skip defining a search space with --skip_gpf, or
-    set box center and size with one of the following three combinations:
+    writing a grid parameter file (--write_gpf) or a config file with the
+    box dimensions for vina (-v/--write_vina_box) requires setting the box
+    center and size with one of the following three combinations:
     1) --box_center and --box_size
     2) --box_center_off_reactive_res and --box_size
     3) --box_enveloping and --padding"""
@@ -302,6 +359,25 @@ def get_args():
     print("Command line error: " + msg, file=sys.stderr)
     sys.exit(2)
 
+# check write options have default if used without argument
+write_flags = [
+    args.write_pdbqt,
+    args.write_json,
+    args.write_gpf,
+    args.write_vina_box,
+]
+needed_default = False
+for flag in write_flags:
+    # flag is none if not used, and is empty list when used without arg
+    if flag is not None and len(flag) == 0:
+        needed_default = True
+        break
+if needed_default and args.output_basename is None:
+    msg = "--write flags require either a filename argument or"
+    msg += " --output_basename to set a default"
+    print(msg)
+    sys.exit(2)
+
 # Default mapping of residue name and reactive atom name
 reactive_atom = {
     "SER": "OG",
@@ -378,33 +454,29 @@ def get_args():
         if res_id not in reactive_flexres:
             nonreactive_flexres.add(res_id)
 
-# if args.pdb is not None:
+
 set_template = {}
-del_res = []
-blunt_ends = []
-if args.chorizo_config is not None:
-    with open(args.chorizo_config) as f:
-        chorizo_config = json.load(f)
-    set_template.update(chorizo_config.get("set_template", {}))
-    del_res.extend(chorizo_config.get("del_res", []))
-    blunt_ends.extend(chorizo_config.get("blunt_ends", []))
-# direct command line options override config
 if args.set_template is not None:
-    j = parse_cmdline_res_assign(args.set_template)
-    set_template.update(j)
+    set_template = parse_cmdline_res_assign(args.set_template)
+
+blunt_ends = []
 if args.blunt_ends is not None:
     j = parse_cmdline_res_assign(args.blunt_ends)
     # TODO parse also input/raw atom names, easier than indices
     j = [(k, int(v)) for k, v in j.items()]
     blunt_ends.extend(j)
+
+delete_residues = []
 if args.delete_residues is not None:
-    del_res.extend(parse_cmdline_res(args.delete_residues))
+    delete_residues = parse_cmdline_res(args.delete_residues)
+
 if args.mk_config is not None:
     with open(args.mk_config) as f:
         mk_config = json.load(f)
     mk_prep = MoleculePreparation.from_config(mk_config)
 else:
     mk_prep = MoleculePreparation()
+
 # load templates for mapping
 if args.add_templates is not None:
     with open(args.add_templates) as f:
@@ -426,36 +498,36 @@ def get_args():
 
 print(f"{templates=}")
 # create chorizos
-if args.macromol is not None:
+if args.read_with_prody is not None:
     if not _got_prody:
         print(_prody_import_error, file=sys.stderr)
-        print("option --macromol requires Prody, which is not installed.")
+        print("option --read_with_prody requires Prody, which is not installed.")
         print("Installable from PyPI (pip install prody) or conda-forge (micromamba install prody)")
         sys.exit(2)
-    ext = pathlib.Path(args.macromol).suffix[1:].lower()
+    ext = pathlib.Path(args.read_with_prody).suffix[1:].lower()
     if ext in SUPPORTED_PRODY_FORMATS:
         parser = SUPPORTED_PRODY_FORMATS[ext]
-        input_obj = parser(args.macromol, altloc="all")
+        input_obj = parser(args.read_with_prody, altloc="all")
         chorizo = LinkedRDKitChorizo.from_prody(
             input_obj,
             templates,
             mk_prep,
             set_template,
-            del_res,
+            delete_residues,
             args.allow_bad_res,
             blunt_ends=blunt_ends,
             wanted_altloc=wanted_altloc,
             allowed_altloc=args.allowed_altloc,
         )
 else:
-    with open(args.pdb) as f:
+    with open(args.read_pdb) as f:
         pdb_string = f.read()
     chorizo = LinkedRDKitChorizo.from_pdb_string(
         pdb_string,
         templates,  # residue_templates, padders, ambiguous,
         mk_prep,
         set_template,
-        del_res,
+        delete_residues,
         args.allow_bad_res,
         blunt_ends=blunt_ends,
         wanted_altloc=wanted_altloc,
@@ -555,46 +627,81 @@ def get_args():
     "B",
 ]
 
-outpath = pathlib.Path(args.output_filename)
+if args.output_basename is not None:
+    outpath = pathlib.Path(args.output_basename)
 
 written_files_log = {"filename": [], "description": []}
 
-if args.write_json:
-    fn = str(outpath.with_suffix("")) + ".json"
+if args.write_json is not None:
+    if args.write_json:
+        fn = args.write_json[0]
+    else:  # args.write_json is empty list (was used without arg)
+        fn = str(outpath) + ".json"
     with open(fn, "w") as f:
         json.dump(chorizo, f, cls=LinkedRDKitChorizoEncoder)
     written_files_log["filename"].append(fn)
-    written_files_log["description"].append("parameterized receptor object")
+    written_files_log["description"].append("parameterized receptor")
 
-if len(all_flexres) == 0:
-    box_center = args.box_center
-    rigid_fn = str(outpath.with_suffix(".pdbqt"))
-    flex_fn = None
-else:
-    print(f"{reactive_flexres=}")
-    all_flex_pdbqt = ""
-    reactive_flexres_count = 0
-    for res_id, flexres_pdbqt in pdbqt["flex"].items():
-        all_flex_pdbqt += flexres_pdbqt
-
-    suffix = outpath.suffix
-    if outpath.suffix == "":
-        suffix = ".pdbqt"
-    rigid_fn = str(outpath.with_suffix("")) + "_rigid" + suffix
-    flex_fn = str(outpath.with_suffix("")) + "_flex" + suffix
-
-    written_files_log["filename"].append(flex_fn)
-    written_files_log["description"].append("flexible receptor input file")
-    with open(flex_fn, "w") as f:
-        f.write(all_flex_pdbqt)
-
-written_files_log["filename"].append(rigid_fn)
-written_files_log["description"].append("static (i.e., rigid) receptor input file")
-with open(rigid_fn, "w") as f:
-    f.write(pdbqt["rigid"])
-
-# GPF for autogrid4
-if not args.skip_gpf:
+if args.write_pdb is not None:
+    fn = args.write_pdb[0]
+    with open(fn, "W") as f:
+        f.write(chorizo.to_pdb())
+    written_files_log["filename"].append(fn)
+    written_files_log["description"].append("receptor")
+
+if args.write_pdbqt is not None:
+    if args.write_pdbqt:
+        if args.write_pdbqt.endswith(".pdbqt"):
+            fn_base = args.write_pdbqt.rstrip(".pdbqt")
+        else:
+            fn_base = args.write_pdbqt[0]
+    else:
+        fn_base = str(outpath)
+    if len(all_flexres) == 0:
+        box_center = args.box_center
+        rigid_fn = fn_base + ".pdbqt"
+        flex_fn = None
+    else:
+        print(f"{reactive_flexres=}")
+        all_flex_pdbqt = ""
+        reactive_flexres_count = 0
+        for res_id, flexres_pdbqt in pdbqt["flex"].items():
+            all_flex_pdbqt += flexres_pdbqt
+    
+        rigid_fn = fn_base + "_rigid.pdbqt"
+        flex_fn = fn_base + "_flex.pdbqt"
+    
+        written_files_log["filename"].append(flex_fn)
+        written_files_log["description"].append("flexible receptor input file")
+        with open(flex_fn, "w") as f:
+            f.write(all_flex_pdbqt)
+    
+    written_files_log["filename"].append(rigid_fn)
+    written_files_log["description"].append("static (i.e., rigid) receptor input file")
+    with open(rigid_fn, "w") as f:
+        f.write(pdbqt["rigid"])
+
+def warn_flexres_outside_box(chorizo, box_center, box_size):
+    for res_id, res in chorizo.residues.items():
+        if not res.is_movable:
+            continue
+        for atom in res.molsetup.atoms:
+            if not res.is_flexres_atom[atom.index]:
+                continue
+            if gridbox.is_point_outside_box(atom.coord, box_center, box_size, spacing=1.0):
+                print(
+                    "WARNING: Flexible residue outside box." + os_linesep,
+                    file=sys.stderr,
+                )
+                print(
+                    "WARNING: Strongly recommended to use a box that encompasses flexible residues."
+                    + os_linesep,
+                    file=sys.stderr,
+                )
+                break  # only need to warn once
+
+skip_gpf = args.write_gpf is None and args.write_vina_box is None
+if not skip_gpf:
     if args.box_center is not None:
         box_center = args.box_center
         box_size = args.box_size
@@ -664,84 +771,85 @@ def get_args():
         print("Error: No box center specified.", file=sys.stderr)
         sys.exit(2)
 
-    # write .dat parameter file for B and Si
-    ff_fn = pathlib.Path(rigid_fn).parents[0] / pathlib.Path(
-        "boron-silicon-atom_par.dat"
-    )
-    written_files_log["filename"].append(str(ff_fn))
-    written_files_log["description"].append(
-        "atomic parameters for B and Si (for autogrid)"
-    )
-    with open(ff_fn, "w") as f:
-        f.write(gridbox.boron_silicon_atompar)
-    rec_types = [
-        "HD",
-        "C",
-        "A",
-        "N",
-        "NA",
-        "OA",
-        "F",
-        "P",
-        "SA",
-        "S",
-        "Cl",
-        "Br",
-        "I",
-        "Mg",
-        "Ca",
-        "Mn",
-        "Fe",
-        "Zn",
-    ]
-    gpf_string, npts = gridbox.get_gpf_string(
-        box_center,
-        box_size,
-        pathlib.Path(rigid_fn).name,
-        rec_types,
-        any_lig_base_types,
-        ff_param_fname=ff_fn.name,
-    )
-    # write GPF
-    gpf_fn = pathlib.Path(rigid_fn).with_suffix(".gpf")
-    written_files_log["filename"].append(str(gpf_fn))
-    written_files_log["description"].append("autogrid input file")
-    with open(gpf_fn, "w") as f:
-        f.write(gpf_string)
 
-    # write a PDB for the box
-    box_fn = str(pathlib.Path(rigid_fn).with_suffix(".box.pdb"))
-    written_files_log["filename"].append(box_fn)
-    written_files_log["description"].append("PDB file to visualize the grid box")
-    with open(box_fn, "w") as f:
-        f.write(gridbox.box_to_pdb_string(box_center, npts))
+    if args.write_gpf is not None:
+        if args.write_gpf:
+            gpf_fn = args.write_gpf[0]
+        else:
+            gpf_fn = pathlib.Path(rigid_fn).with_suffix(".gpf")
+        # write .dat parameter file for B and Si
+        ff_fn = pathlib.Path(gpf_fn).parents[0] / pathlib.Path(
+            "boron-silicon-atom_par.dat"
+        )
+        written_files_log["filename"].append(str(ff_fn))
+        written_files_log["description"].append(
+            "atomic parameters for B and Si (for autogrid)"
+        )
+        with open(ff_fn, "w") as f:
+            f.write(gridbox.boron_silicon_atompar)
+
+        rec_types = [
+            "HD",
+            "C",
+            "A",
+            "N",
+            "NA",
+            "OA",
+            "F",
+            "P",
+            "SA",
+            "S",
+            "Cl",
+            "Br",
+            "I",
+            "Mg",
+            "Ca",
+            "Mn",
+            "Fe",
+            "Zn",
+        ]
+        gpf_string, npts = gridbox.get_gpf_string(
+            box_center,
+            box_size,
+            pathlib.Path(rigid_fn).name,  # requires --write_pdbqt
+            rec_types,
+            any_lig_base_types,
+            ff_param_fname=ff_fn.name,
+        )
+
+        written_files_log["filename"].append(str(gpf_fn))
+        written_files_log["description"].append("autogrid input file")
+        with open(gpf_fn, "w") as f:
+            f.write(gpf_string)
 
     # write gridbox vina format
-    box_vina_fn = str(pathlib.Path(rigid_fn).with_suffix(".box.txt"))
-    written_files_log["filename"].append(box_vina_fn)
-    written_files_log["description"].append("Vina-style box dimension file")
-    with open(box_vina_fn, "w") as f:
-        f.write(gridbox.box_to_vina_string(box_center, box_size))
+    if args.write_vina_box is not None:
+        if args.write_vina_box:
+            box_vina_fn = args.write_vina_box[0]
+        else:
+            box_vina_fn = str(outpath) + ".box.txt"
+
+        written_files_log["filename"].append(box_vina_fn)
+        written_files_log["description"].append("Vina-style box dimension file")
+        with open(box_vina_fn, "w") as f:
+            f.write(gridbox.box_to_vina_string(box_center, box_size))
+
+    # write a PDB for the box
+    if args.write_vina_box is not None or args.write_gpf is not None:
+        if args.output_basename is not None:
+            box_fn = str(outpath) + ".box.pdb" 
+        elif args.write_gpf is not None:
+            # relies on --write_gpf forcing --write_pdbqt which sets rigid_fn
+            box_fn = str(pathlib.Path(rigid_fn).with_suffix(".box.pdb"))
+        else:
+            box_fn = box_vina_fn.replace(".box.txt", ".box.pdb")
+        written_files_log["filename"].append(box_fn)
+        written_files_log["description"].append("PDB file to visualize the grid box")
+        with open(box_fn, "w") as f:
+            f.write(gridbox.box_to_pdb_string(box_center, box_size, spacing=1.0))
+
+    warn_flexres_outside_box(chorizo, box_center, box_size)
 
-    # check all flexres are inside the box
-    if len(reactive_flexres) > 0:
-        for res_id, res in chorizo.residues.items():
-            if not res.is_movable:
-                continue
-            for atom in res.molsetup.atoms:
-                if not res.is_flexres_atom[atom.index]:
-                    continue
-                if gridbox.is_point_outside_box(atom.coord, box_center, npts):
-                    print(
-                        "WARNING: Flexible residue outside box." + os_linesep,
-                        file=sys.stderr,
-                    )
-                    print(
-                        "WARNING: Strongly recommended to use a box that encompasses flexible residues."
-                        + os_linesep,
-                        file=sys.stderr,
-                    )
-                    break  # only need to warn once
 
 # configuration info for AutoDock-GPU reactive docking
 if len(reactive_flexres) > 0:
@@ -818,9 +926,21 @@ def get_args():
     )
     print()
 
-print()
-print("Files written:")
-longest_fn = max([len(fn) for fn in written_files_log["filename"]])
-line = "%%%ds <-- " % longest_fn + "%s"
-for fn, desc in zip(written_files_log["filename"], written_files_log["description"]):
-    print(line % (fn, desc))
+if written_files_log["filename"]:
+    print()
+    print("Files written:")
+    longest_fn = max([len(fn) for fn in written_files_log["filename"]])
+    line = "%%%ds <-- " % longest_fn + "%s"
+    for fn, desc in zip(written_files_log["filename"], written_files_log["description"]):
+        print(line % (fn, desc))
+else:
+    print()
+    print("You have successfully prepared the receptor, but no files were written.")
+    print("Likely, you want to use some of the --write options, for example:")
+    print("  -p/--write_pdbqt, -j/--write_json, -g/--write_gpf, -v/--write_vina_box")
+    print("")
+    print("Recommended for AutoDock-GPU:")
+    print("  -o my_receptor -p -j -g")
+    print("")
+    print("Recommended for AutoDock-Vina:")
+    print("  -o my_receptor -p -j -v")

From 3e146cfe9c72865eb73ed7e2c3311b2329cc5aab Mon Sep 17 00:00:00 2001
From: Amy He <ayhe1768@gmail.com>
Date: Fri, 11 Oct 2024 14:43:12 -0700
Subject: [PATCH 058/166] typo in _aux_altloc_mol_build

---
 meeko/utils/rdkitutils.py | 6 +++---
 1 file changed, 3 insertions(+), 3 deletions(-)

diff --git a/meeko/utils/rdkitutils.py b/meeko/utils/rdkitutils.py
index 675402ce..b41357ae 100644
--- a/meeko/utils/rdkitutils.py
+++ b/meeko/utils/rdkitutils.py
@@ -184,13 +184,13 @@ def _aux_altloc_mol_build(atom_field_list, requested_altloc, allowed_altloc):
     elif requested_altloc and requested_altloc not in mols_dict:
         pdbmol = None
         missed_altloc = True
-        needed_altoc = False
+        needed_altloc = False
     elif allowed_altloc and allowed_altloc in mols_dict:
         pdbmol, idx_to_rdkit = mols_dict[allowed_altloc]
     elif has_altloc and allowed_altloc not in mols_dict:
         pdbmol = None
-        needed_altloc = True
-        missed_altloc = False
+        missed_altloc = True
+        needed_altloc = False
     elif not has_altloc and requested_altloc is None:
         pdbmol, idx_to_rdkit = mols_dict[None]
     else:

From 7b594989ed5fbee74533090684bce20209dc4ffa Mon Sep 17 00:00:00 2001
From: Amy He <ayhe1768@gmail.com>
Date: Fri, 11 Oct 2024 19:10:01 -0700
Subject: [PATCH 059/166] small typo variable name in mk_prepare_receptor.py

---
 scripts/mk_prepare_receptor.py | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/scripts/mk_prepare_receptor.py b/scripts/mk_prepare_receptor.py
index bec8b638..a1395c9b 100755
--- a/scripts/mk_prepare_receptor.py
+++ b/scripts/mk_prepare_receptor.py
@@ -478,7 +478,7 @@ def get_args():
         if input_resname in reactive_atom:
             reactive_flexres_name[res_id] = reactive_atom[input_resname]
         else:
-            print("no default reactive name for %s, " % resname)
+            print("no default reactive name for %s, " % input_resname)
             print("use --reactive_name or --reactive_name_specific" + os_linesep)
             sys.exit(2)
 

From 9033088e9fc649f5d58e0155453ea1713ffbbf3b Mon Sep 17 00:00:00 2001
From: diogom <diogom@scripps.edu>
Date: Fri, 11 Oct 2024 19:10:01 -0700
Subject: [PATCH 060/166] improve help msg for mk_prepare_receptor --write
 flags

---
 scripts/mk_prepare_receptor.py | 13 ++++++++++---
 1 file changed, 10 insertions(+), 3 deletions(-)

diff --git a/scripts/mk_prepare_receptor.py b/scripts/mk_prepare_receptor.py
index bb442cc9..5b8a2dee 100755
--- a/scripts/mk_prepare_receptor.py
+++ b/scripts/mk_prepare_receptor.py
@@ -935,9 +935,16 @@ def warn_flexres_outside_box(chorizo, box_center, box_size):
         print(line % (fn, desc))
 else:
     print()
-    print("You have successfully prepared the receptor, but no files were written.")
-    print("Likely, you want to use some of the --write options, for example:")
-    print("  -p/--write_pdbqt, -j/--write_json, -g/--write_gpf, -v/--write_vina_box")
+    print()
+    print("Receptor was prepared, but no files were written.")
+    print("")
+    print("Consider the following --write options:")
+    print("  -p/--write_pdbqt")
+    print("  -j/--write_json")
+    print("  -g/--write_gpf")
+    print("  -v/--write_vina_box")
+    print("")
+    print("Use -o/--output_basename, or set a filename after each --write flag")
     print("")
     print("Recommended for AutoDock-GPU:")
     print("  -o my_receptor -p -j -g")

From 3c4e03053f48a56768bfa463b99ca1f52a911903 Mon Sep 17 00:00:00 2001
From: diogom <diogom@scripps.edu>
Date: Fri, 11 Oct 2024 19:16:18 -0700
Subject: [PATCH 061/166] drop -g in help message for mk_prep_rec
 --reactive_name

---
 scripts/mk_prepare_receptor.py | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/scripts/mk_prepare_receptor.py b/scripts/mk_prepare_receptor.py
index 5b8a2dee..ebe36781 100755
--- a/scripts/mk_prepare_receptor.py
+++ b/scripts/mk_prepare_receptor.py
@@ -229,7 +229,7 @@ def get_args():
         "--reactive_name",
         action="append",
         default=[],
-        help="set name of reactive atom of a residue type, e.g: -g 'TRP:NE1'. Repeat flag for multiple assignments. Overridden by --reactive_name_specific",
+        help="set name of reactive atom of a residue type, e.g: --reactive_name 'TRP:NE1'. Repeat flag for multiple assignments. Overridden by --reactive_name_specific",
     )
     reactive_group.add_argument(
         "-s",

From df522677ac548b67ab72c8b3f2f34b57a9efa612 Mon Sep 17 00:00:00 2001
From: diogom <diogom@scripps.edu>
Date: Sat, 12 Oct 2024 11:22:29 -0700
Subject: [PATCH 062/166] mk_prepare_receptor writes reactive config for adgpu
 only if --write_pdbqt

---
 scripts/mk_prepare_receptor.py | 19 ++++++++-----------
 1 file changed, 8 insertions(+), 11 deletions(-)

diff --git a/scripts/mk_prepare_receptor.py b/scripts/mk_prepare_receptor.py
index ebe36781..f2911a41 100755
--- a/scripts/mk_prepare_receptor.py
+++ b/scripts/mk_prepare_receptor.py
@@ -598,14 +598,7 @@ def get_args():
 
 for res_id in all_flexres:
     chorizo.flexibilize_sidechain(res_id, mk_prep)
-rigid_pdbqt, flex_pdbqt_dict = PDBQTWriterLegacy.write_from_linked_rdkit_chorizo(
-    chorizo
-)
 
-pdbqt = {
-    "rigid": rigid_pdbqt,
-    "flex": flex_pdbqt_dict,
-}
 
 any_lig_base_types = [
     "HD",
@@ -657,6 +650,10 @@ def get_args():
             fn_base = args.write_pdbqt[0]
     else:
         fn_base = str(outpath)
+
+    pdbqt_tuple = PDBQTWriterLegacy.write_from_linked_rdkit_chorizo(chorizo)
+    rigid_pdbqt, flex_pdbqt_dict = pdbqt_tuple
+
     if len(all_flexres) == 0:
         box_center = args.box_center
         rigid_fn = fn_base + ".pdbqt"
@@ -665,7 +662,7 @@ def get_args():
         print(f"{reactive_flexres=}")
         all_flex_pdbqt = ""
         reactive_flexres_count = 0
-        for res_id, flexres_pdbqt in pdbqt["flex"].items():
+        for res_id, flexres_pdbqt in flex_pdbqt_dict.items():
             all_flex_pdbqt += flexres_pdbqt
     
         rigid_fn = fn_base + "_rigid.pdbqt"
@@ -679,14 +676,14 @@ def get_args():
     written_files_log["filename"].append(rigid_fn)
     written_files_log["description"].append("static (i.e., rigid) receptor input file")
     with open(rigid_fn, "w") as f:
-        f.write(pdbqt["rigid"])
+        f.write(rigid_pdbqt)
 
 def warn_flexres_outside_box(chorizo, box_center, box_size):
     for res_id, res in chorizo.residues.items():
         if not res.is_movable:
             continue
         for atom in res.molsetup.atoms:
-            if not res.is_flexres_atom[atom.index]:
+            if not res.is_flexres_atom[atom.index]:  # TODO: not implemented
                 continue
             if gridbox.is_point_outside_box(atom.coord, box_center, box_size, spacing=1.0):
                 print(
@@ -852,7 +849,7 @@ def warn_flexres_outside_box(chorizo, box_center, box_size):
 
 
 # configuration info for AutoDock-GPU reactive docking
-if len(reactive_flexres) > 0:
+if len(reactive_flexres) > 0 and args.write_pdbqt is not None:
     any_lig_reac_types = []
     for order in (1, 2, 3):
         for t in any_lig_base_types:

From bcdbbb8cc437a04755fa5c1c92ef2e4ea022aa23 Mon Sep 17 00:00:00 2001
From: diogom <diogom@scripps.edu>
Date: Sat, 12 Oct 2024 11:38:40 -0700
Subject: [PATCH 063/166] add help print to mk_prepare_receptor

---
 scripts/mk_prepare_receptor.py | 10 +++++++++-
 1 file changed, 9 insertions(+), 1 deletion(-)

diff --git a/scripts/mk_prepare_receptor.py b/scripts/mk_prepare_receptor.py
index f2911a41..04d03170 100755
--- a/scripts/mk_prepare_receptor.py
+++ b/scripts/mk_prepare_receptor.py
@@ -496,7 +496,6 @@ def get_args():
         sys.exit(2)
 templates = ResidueChemTemplates.from_dict(res_chem_templates)
 
-print(f"{templates=}")
 # create chorizos
 if args.read_with_prody is not None:
     if not _got_prody:
@@ -930,6 +929,15 @@ def warn_flexres_outside_box(chorizo, box_center, box_size):
     line = "%%%ds <-- " % longest_fn + "%s"
     for fn, desc in zip(written_files_log["filename"], written_files_log["description"]):
         print(line % (fn, desc))
+    if (
+        args.output_basename is not None and
+        args.output_basename.endswith(".pdbqt") and
+        args.write_pdbqt is None
+    ):
+        print()
+        print("PDBQT files were NOT written. Use -p/--write_pdbqt for that.")
+        print("Note that -o/--output_basename just sets a default for --write flags")
+        print()
 else:
     print()
     print()

From b5acfa9df3deb3fdc5e15727b2cb819679375021 Mon Sep 17 00:00:00 2001
From: diogom <diogom@scripps.edu>
Date: Sat, 12 Oct 2024 12:34:56 -0700
Subject: [PATCH 064/166] better mk_prepare_rec help, rename allowed_altloc to
 default_altloc

---
 meeko/__init__.py                          |  1 +
 meeko/linked_rdkit_chorizo.py              | 29 +++++----
 meeko/utils/prodyutils.py                  |  8 +--
 meeko/utils/rdkitutils.py                  | 10 ++--
 scripts/mk_prepare_receptor.py             | 69 +++++++++++++++-------
 test/linked_rdkit_chorizo_creation_test.py |  4 +-
 6 files changed, 76 insertions(+), 45 deletions(-)

diff --git a/meeko/__init__.py b/meeko/__init__.py
index 7b437218..a08fff1a 100644
--- a/meeko/__init__.py
+++ b/meeko/__init__.py
@@ -37,6 +37,7 @@
 from .linked_rdkit_chorizo import ResidueChemTemplatesEncoder
 from .linked_rdkit_chorizo import add_rotamers_to_chorizo_molsetups
 from .linked_rdkit_chorizo import linked_rdkit_chorizo_json_decoder
+from .linked_rdkit_chorizo import ChorizoCreationError
 from .molecule_pdbqt import PDBQTMolecule
 from .rdkit_mol_create import RDKitMolCreate
 from .reactive import reactive_typer
diff --git a/meeko/linked_rdkit_chorizo.py b/meeko/linked_rdkit_chorizo.py
index ccb67ec7..29d5c547 100644
--- a/meeko/linked_rdkit_chorizo.py
+++ b/meeko/linked_rdkit_chorizo.py
@@ -444,6 +444,9 @@ def _delete_residues(res_to_delete, raw_input_mols):
         raise ValueError(msg)
     return
 
+class ChorizoCreationError(RuntimeError):
+    pass
+
 def handle_parsing_situations(
     unmatched_res,
     unparsed_res,
@@ -464,7 +467,7 @@ def handle_parsing_situations(
     if res_needed_altloc: 
         msg = f"Have alternate location {res_needed_altloc}" + os_linesep
         msg += "Either specify an altloc for each with option `wanted_altloc`" + os_linesep
-        msg += "or a general default altloc with option `allowed_altloc`."
+        msg += "or a general default altloc with option `default_altloc`."
         logger.warning(msg)
     if res_missed_altloc:
         msg = f"Failed parsing {res_missed_altloc}. Requested altlocs weren't found."
@@ -478,9 +481,9 @@ def handle_parsing_situations(
     if not allow_bad_res and (unmatched_res or unparsed_res):
         msg += f"These can be ignored with option allow_bad_res" + os_linesep
     if res_missed_altloc or res_needed_altloc:
-        msg += "Handle AltLocs with allowed_altloc or wanted_altloc" + os_linesep
+        msg += "Handle AltLocs with default_altloc or wanted_altloc" + os_linesep
     if msg:
-        raise RuntimeError(msg)
+        raise ChorizoCreationError(msg)
     return
 
 
@@ -718,7 +721,7 @@ def from_pdb_string(
         bonds_to_delete=None,
         blunt_ends=None,
         wanted_altloc=None,
-        allowed_altloc=None
+        default_altloc=None
     ):
         """
 
@@ -733,7 +736,7 @@ def from_pdb_string(
         bonds_to_delete
         blunt_ends
         wanted_altloc
-        allowed_altloc
+        default_altloc
 
         Returns
         -------
@@ -743,7 +746,7 @@ def from_pdb_string(
         tmp_raw_input_mols = cls._pdb_to_residue_mols(
             pdb_string,
             wanted_altloc,
-            allowed_altloc,
+            default_altloc,
         )
 
         # from here on it duplicates self.from_prody(), but extracting
@@ -804,7 +807,7 @@ def from_prody(
         bonds_to_delete=None,
         blunt_ends=None,
         wanted_altloc: Optional[dict]=None,
-        allowed_altloc: Optional[str]=None,
+        default_altloc: Optional[str]=None,
     ):
         """
 
@@ -819,7 +822,7 @@ def from_prody(
         bonds_to_delete
         blunt_ends
         wanted_altloc
-        allowed_altloc
+        default_altloc
 
         Returns
         -------
@@ -829,7 +832,7 @@ def from_prody(
         tmp_raw_input_mols = cls._prody_to_residue_mols(
             prody_obj,
             wanted_altloc,
-            allowed_altloc,
+            default_altloc,
         )
 
         # from here on it duplicates self.from_pdb_string(), but extracting
@@ -1438,7 +1441,7 @@ def print_residues_by_resname(removed_residues):
     def _pdb_to_residue_mols(
         pdb_string,
         wanted_altloc: Optional[dict[str, str]]=None,
-        allowed_altloc: Optional[str]=None,
+        default_altloc: Optional[str]=None,
     ):
         """
 
@@ -1527,7 +1530,7 @@ def _add_if_new(to_dict, key, value, repeat_log):
             pdbmol, _, missed_altloc, needed_altloc = _aux_altloc_mol_build(
                 atom_field_list,
                 requested_altloc,
-                allowed_altloc,
+                default_altloc,
             )
             resname = list(reskey_to_resname[reskey])[0]  # verified length 1
             raw_input_mols[reskey] = (pdbmol, resname, missed_altloc, needed_altloc)
@@ -1539,7 +1542,7 @@ def _add_if_new(to_dict, key, value, repeat_log):
     def _prody_to_residue_mols(
             prody_obj: ALLOWED_PRODY_TYPES,
             wanted_altloc_dict: Optional[dict] = None,
-            allowed_altloc: Optional[str] = None,
+            default_altloc: Optional[str] = None,
         ) -> dict:
         """
 
@@ -1578,7 +1581,7 @@ def _prody_to_residue_mols(
                     res,
                     sanitize=False,
                     requested_altloc=requested_altloc,
-                    allowed_altloc=allowed_altloc,
+                    default_altloc=default_altloc,
                 )
                 raw_input_mols[reskey] = (prody_mol, res_name,
                                           missed_altloc, needed_altloc)
diff --git a/meeko/utils/prodyutils.py b/meeko/utils/prodyutils.py
index 70f1de72..11d0d15a 100644
--- a/meeko/utils/prodyutils.py
+++ b/meeko/utils/prodyutils.py
@@ -112,7 +112,7 @@ def prody_to_rdkit(
     sanitize: bool = True,
     keep_bonds: bool = False,
     requested_altloc: Optional[str] = None,
-    allowed_altloc: Optional[str] = None,
+    default_altloc: Optional[str] = None,
 ) -> Mol:
     """
     Convert a ProDy selection or atom group into an RDKit molecule.
@@ -160,7 +160,7 @@ def prody_to_rdkit(
         Note that prody's mmCif parser does not parse bonds as of v2.4.1.
     wanted_altloc : Optional[str] (default: None)
         require specified alternate location
-    allowed_altloc : Optional[str] (default: None)
+    default_altloc : Optional[str] (default: None)
         if altlocs exist, use this one.
 
     Returns
@@ -168,7 +168,7 @@ def prody_to_rdkit(
     raw_input_mols : dict of tuples
         RDKit molecule
     needed_altloc : bool
-        need to know which altloc to use with wanted_altloc or allowed_altloc
+        need to know which altloc to use with wanted_altloc or default_altloc
     missed_altloc : bool
         the requested altloc (with wanted_altloc) does not exist
     """
@@ -195,7 +195,7 @@ def prody_to_rdkit(
     rdmol, idx_to_rdkit, missed_altloc, needed_altloc = _aux_altloc_mol_build(
         atom_field_list,
         requested_altloc,
-        allowed_altloc,
+        default_altloc,
     )
 
     if rdmol is None:
diff --git a/meeko/utils/rdkitutils.py b/meeko/utils/rdkitutils.py
index 675402ce..60506ef3 100644
--- a/meeko/utils/rdkitutils.py
+++ b/meeko/utils/rdkitutils.py
@@ -170,12 +170,12 @@ def build_one_rdkit_mol_per_altloc(atom_fields_list):
     return rdkit_mol_dict
 
 
-def _aux_altloc_mol_build(atom_field_list, requested_altloc, allowed_altloc):
+def _aux_altloc_mol_build(atom_field_list, requested_altloc, default_altloc):
     missed_altloc = False
     needed_altloc = False
     mols_dict = build_one_rdkit_mol_per_altloc(atom_field_list) 
     has_altloc = None not in mols_dict
-    if has_altloc and requested_altloc is None and allowed_altloc is None:
+    if has_altloc and requested_altloc is None and default_altloc is None:
         pdbmol = None
         missed_altloc = False 
         needed_altloc = True
@@ -185,9 +185,9 @@ def _aux_altloc_mol_build(atom_field_list, requested_altloc, allowed_altloc):
         pdbmol = None
         missed_altloc = True
         needed_altoc = False
-    elif allowed_altloc and allowed_altloc in mols_dict:
-        pdbmol, idx_to_rdkit = mols_dict[allowed_altloc]
-    elif has_altloc and allowed_altloc not in mols_dict:
+    elif default_altloc and default_altloc in mols_dict:
+        pdbmol, idx_to_rdkit = mols_dict[default_altloc]
+    elif has_altloc and default_altloc not in mols_dict:
         pdbmol = None
         needed_altloc = True
         missed_altloc = False
diff --git a/scripts/mk_prepare_receptor.py b/scripts/mk_prepare_receptor.py
index 04d03170..715d35eb 100755
--- a/scripts/mk_prepare_receptor.py
+++ b/scripts/mk_prepare_receptor.py
@@ -18,6 +18,7 @@
 from meeko import PDBQTWriterLegacy
 from meeko import LinkedRDKitChorizo
 from meeko import LinkedRDKitChorizoEncoder
+from meeko import ChorizoCreationError
 from meeko import reactive_typer
 from meeko import get_reactive_config
 from meeko import gridbox
@@ -180,7 +181,7 @@ def get_args():
         action="store_true",
         help="delete residues with missing atoms instead of raising error",
     )
-    config_group.add_argument("--allowed_altloc", help="general default altloc")
+    config_group.add_argument("--default_altloc", help="default alternate location (overridden by --wanted_altloc)")
     config_group.add_argument("--wanted_altloc", help="require altloc for specific residues, e.g. :5=B,B:17=A")
     config_group.add_argument(
         "-f",
@@ -353,8 +354,8 @@ def get_args():
             sys.exit(2)
 
 
-# Ensure meaningful allowed_altloc
-if args.allowed_altloc is not None and args.allowed_altloc.strip()=="":
+# Ensure meaningful default_altloc
+if args.default_altloc is not None and args.default_altloc.strip()=="":
     msg = "Allowed atloc cannot be an empty string or a string with just space"
     print("Command line error: " + msg, file=sys.stderr)
     sys.exit(2)
@@ -507,31 +508,57 @@ def get_args():
     if ext in SUPPORTED_PRODY_FORMATS:
         parser = SUPPORTED_PRODY_FORMATS[ext]
         input_obj = parser(args.read_with_prody, altloc="all")
-        chorizo = LinkedRDKitChorizo.from_prody(
-            input_obj,
-            templates,
+        try:
+            chorizo = LinkedRDKitChorizo.from_prody(
+                input_obj,
+                templates,
+                mk_prep,
+                set_template,
+                delete_residues,
+                args.allow_bad_res,
+                blunt_ends=blunt_ends,
+                wanted_altloc=wanted_altloc,
+                default_altloc=args.default_altloc,
+            )
+        except ChorizoCreationError as err:
+            print()
+            print("Creation of data structure for receptor failed.")
+            print()
+            print(err)
+            print("Use -a/--allow_bad_res to automatically remove residues")
+            print("that do not match templates, and --default_altloc to set")
+            print("a default altloc variant. Use these at your own risk.")
+            print()
+            print("Inspecting and fixing the input structure is recommended.")
+            print("Use --wanted_altloc to set variants for specific residues.")
+            sys.exit(1)
+else:
+    with open(args.read_pdb) as f:
+        pdb_string = f.read()
+    try:
+        chorizo = LinkedRDKitChorizo.from_pdb_string(
+            pdb_string,
+            templates,  # residue_templates, padders, ambiguous,
             mk_prep,
             set_template,
             delete_residues,
             args.allow_bad_res,
             blunt_ends=blunt_ends,
             wanted_altloc=wanted_altloc,
-            allowed_altloc=args.allowed_altloc,
+            default_altloc=args.default_altloc,
         )
-else:
-    with open(args.read_pdb) as f:
-        pdb_string = f.read()
-    chorizo = LinkedRDKitChorizo.from_pdb_string(
-        pdb_string,
-        templates,  # residue_templates, padders, ambiguous,
-        mk_prep,
-        set_template,
-        delete_residues,
-        args.allow_bad_res,
-        blunt_ends=blunt_ends,
-        wanted_altloc=wanted_altloc,
-        allowed_altloc=args.allowed_altloc,
-    )
+    except ChorizoCreationError as err:
+        print()
+        print("Creation of data structure for receptor failed.")
+        print()
+        print(err)
+        print("Use -a/--allow_bad_res to automatically remove residues")
+        print("that do not match templates, and --default_altloc to set")
+        print("a default altloc variant. Use these at your own risk.")
+        print()
+        print("Inspecting and fixing the input structure is recommended.")
+        sys.exit(1)
+
 
 # Use residue name in the input structure file to find reactive atom name
 # According to the mapping of residue name and reactive atom name
diff --git a/test/linked_rdkit_chorizo_creation_test.py b/test/linked_rdkit_chorizo_creation_test.py
index f20a9a11..d78ebef5 100644
--- a/test/linked_rdkit_chorizo_creation_test.py
+++ b/test/linked_rdkit_chorizo_creation_test.py
@@ -374,7 +374,7 @@ def test_altloc():
         pdb_text,
         chem_templates,
         mk_prep,
-        allowed_altloc="B",
+        default_altloc="B",
     )
     res = chorizo.residues["A:264"]
     xyz = res.rdkit_mol.GetConformer().GetPositions()
@@ -389,7 +389,7 @@ def test_altloc():
         pdb_text,
         chem_templates,
         mk_prep,
-        allowed_altloc="B",
+        default_altloc="B",
         wanted_altloc={"A:264": "A"}
     )
     res = chorizo.residues["A:264"]

From 5dc6dee086fe637dc98f67799b9cdd0f288cd6c9 Mon Sep 17 00:00:00 2001
From: diogom <diogom@scripps.edu>
Date: Sat, 12 Oct 2024 12:58:40 -0700
Subject: [PATCH 065/166] add missing line in mk_prepare_receptor help msg

---
 scripts/mk_prepare_receptor.py | 1 +
 1 file changed, 1 insertion(+)

diff --git a/scripts/mk_prepare_receptor.py b/scripts/mk_prepare_receptor.py
index 715d35eb..b5698d5b 100755
--- a/scripts/mk_prepare_receptor.py
+++ b/scripts/mk_prepare_receptor.py
@@ -557,6 +557,7 @@ def get_args():
         print("a default altloc variant. Use these at your own risk.")
         print()
         print("Inspecting and fixing the input structure is recommended.")
+        print("Use --wanted_altloc to set variants for specific residues.")
         sys.exit(1)
 
 

From b60ae0bc18d8c2f346caf15d2e7be63505d21f74 Mon Sep 17 00:00:00 2001
From: diogom <diogom@scripps.edu>
Date: Mon, 14 Oct 2024 11:07:50 -0700
Subject: [PATCH 066/166] fix ResiduePadder JSON (de)serialization

---
 meeko/linked_rdkit_chorizo.py   | 49 +++++++++++++++++----------------
 test/json_serialization_test.py | 11 +++++++-
 2 files changed, 35 insertions(+), 25 deletions(-)

diff --git a/meeko/linked_rdkit_chorizo.py b/meeko/linked_rdkit_chorizo.py
index 29d5c547..662f6545 100644
--- a/meeko/linked_rdkit_chorizo.py
+++ b/meeko/linked_rdkit_chorizo.py
@@ -1956,21 +1956,24 @@ def __init__(self, rxn_smarts: str, adjacent_res_smarts: str = None):
         # Ensure rxn_smarts has single reactant and single product
         self.rxn = self._validate_rxn_smarts(rxn_smarts)
 
+        # Fill in adjacent_smartsmol_mapidx
+        if adjacent_res_smarts is None:
+            self.adjacent_smartsmol = None
+            self.adjacent_smartsmol_mapidx = None
+            return
+
         # Ensure adjacent_res_smarts is None or a valid SMARTS        
         self.adjacent_smartsmol = self._initialize_adj_smartsmol(adjacent_res_smarts)
-        
+
         # Ensure the mapping numbers are the same in adjacent_smartsmol and rxn_smarts's product
         self._check_adj_smarts(self.rxn, self.adjacent_smartsmol)
-        
-        # Fill in adjacent_smartsmol_mapidx
-        if self.adjacent_smartsmol is None:
-            self.adjacent_smartsmol_mapidx = None
-        else:
-            self.adjacent_smartsmol_mapidx = {
-                atom.GetIntProp("molAtomMapNumber"): atom.GetIdx()
-                for atom in self.adjacent_smartsmol.GetAtoms()
-                if atom.HasProp("molAtomMapNumber")
-            }
+
+        self.adjacent_smartsmol_mapidx = {
+            atom.GetIntProp("molAtomMapNumber"): atom.GetIdx()
+            for atom in self.adjacent_smartsmol.GetAtoms()
+            if atom.HasProp("molAtomMapNumber")
+        }
+        return
     
     @staticmethod
     def _validate_rxn_smarts(rxn_smarts: str) -> rdChemReactions.ChemicalReaction:
@@ -1985,8 +1988,6 @@ def _validate_rxn_smarts(rxn_smarts: str) -> rdChemReactions.ChemicalReaction:
     @staticmethod
     def _initialize_adj_smartsmol(adjacent_res_smarts: str) -> Chem.Mol:
         """Validate adjacent_res_smarts and return adjacent_smartsmol"""
-        if adjacent_res_smarts is None:
-            return None
         adjacent_smartsmol = Chem.MolFromSmarts(adjacent_res_smarts)
         if adjacent_smartsmol is None:
             raise RuntimeError("Invalid SMARTS pattern in adjacent_res_smarts")
@@ -2389,13 +2390,17 @@ def default(self, obj):
         object.
         """
         if isinstance(obj, ResiduePadder):
+            if obj.adjacent_smartsmol is None:
+                adjacent_smarts = None
+            else:
+                # do not use JSON because it looses atom labels
+                adjacent_smarts = Chem.MolToSmarts(obj.adjacent_smartsmol)
             output_dict = {
                 "rxn_smarts": rdChemReactions.ReactionToSmarts(obj.rxn),
-                "adjacent_smartsmol": rdMolInterchange.MolToJSON(
-                    obj.adjacent_smartsmol
-                ),
-                "adjacent_smartsmol_mapidx": obj.adjacent_smartsmol_mapidx,
+                "adjacent_smarts": adjacent_smarts,
             }
+            # we are not serializing the adjacent_smartsmol_mapidx as that will
+            # be rebuilt by the ResiduePadder init
             return output_dict
         return json.JSONEncoder.default(self, obj)
 
@@ -2617,18 +2622,14 @@ def residue_padder_json_decoder(obj: dict):
     # check that all the keys we expect are in the object dictionary as a safety measure
     expected_residue_keys = {
         "rxn_smarts",
-        "adjacent_smartsmol",
-        "adjacent_smartsmol_mapidx",
+        "adjacent_smarts",
     }
     if set(obj.keys()) != expected_residue_keys:
         return obj
 
     # Constructs a ResiduePadder object and restores the expected attributes
-    residue_padder = ResiduePadder(obj["rxn_smarts"])
-    residue_padder.adjacent_smartsmol = rdkit_mol_from_json(obj["adjacent_smartsmol"])
-    residue_padder.adjacent_smartsmol_mapidx = {
-        int(k): v for k, v in obj["adjacent_smartsmol_mapidx"].items()
-    }
+    # adjacent_smartsmol_mapidx is rebuilt by ResiduePadder init
+    residue_padder = ResiduePadder(obj["rxn_smarts"], obj["adjacent_smarts"])
 
     return residue_padder
 
diff --git a/test/json_serialization_test.py b/test/json_serialization_test.py
index 7958131c..b78ccf29 100644
--- a/test/json_serialization_test.py
+++ b/test/json_serialization_test.py
@@ -711,10 +711,19 @@ def check_residue_padder_equality(
     starting_obj_rxn_smarts = rdChemReactions.ReactionToSmarts(starting_obj.rxn)
     assert decoded_obj_rxn_smarts == starting_obj_rxn_smarts
 
-    assert isinstance(decoded_obj.adjacent_smartsmol, Chem.rdchem.Mol)
     assert (
         decoded_obj.adjacent_smartsmol_mapidx == starting_obj.adjacent_smartsmol_mapidx
     )
+
+    decoded_adj = decoded_obj.adjacent_smartsmol
+    starting_adj = starting_obj.adjacent_smartsmol
+    assert isinstance(decoded_adj, Chem.rdchem.Mol) or decoded_adj is None
+    if decoded_adj is None:
+        assert decoded_adj == starting_adj
+    else:
+        decoded_adj_smarts = Chem.MolToSmarts(decoded_adj)
+        starting_adj_smarts = Chem.MolToSmarts(starting_adj)
+        assert decoded_adj_smarts == starting_adj_smarts
     return
 
 

From 60e5089227ccbaf8e833eea7eaa80b13c3068642 Mon Sep 17 00:00:00 2001
From: Amy He <ayhe1768@gmail.com>
Date: Mon, 14 Oct 2024 13:07:38 -0700
Subject: [PATCH 067/166] change ChorizoCreationError layout

---
 meeko/linked_rdkit_chorizo.py  | 53 ++++++++++++++++++----------------
 scripts/mk_prepare_receptor.py |  9 ++++--
 2 files changed, 34 insertions(+), 28 deletions(-)

diff --git a/meeko/linked_rdkit_chorizo.py b/meeko/linked_rdkit_chorizo.py
index 962e82e7..5fecb7c6 100644
--- a/meeko/linked_rdkit_chorizo.py
+++ b/meeko/linked_rdkit_chorizo.py
@@ -460,36 +460,39 @@ def handle_parsing_situations(
     res_missed_altloc,
     res_needed_altloc,
     ):
+
+    err = ""
     if unparsed_res:
-        msg = f"Failed parsing {unparsed_res}."
-        if allow_bad_res:
+        msg = f"- Parsing failed for: {unparsed_res}."
+        if not allow_bad_res:
+            err += msg + os_linesep
+        else: 
             msg += " Ignored due to allow_bad_res."
-        logger.warning(msg)
+            logger.warning(msg)
+
     if unmatched_res:
-        msg = f"Unmatched residues {list(unmatched_res)}"
-        if allow_bad_res:
-            msg += " ignored due to allow_bad_res."
-        logger.warning(msg)
+        msg = f"- Template matching failed for: {list(unmatched_res)}"
+        if not allow_bad_res:
+            err += msg + os_linesep
+        else:
+            msg += " Ignored due to allow_bad_res."
+            logger.warning(msg)
+
+    if err:
+        err += "These residues can be ignored with option allow_bad_res." + os_linesep
+
     if res_needed_altloc: 
-        msg = f"Have alternate location {res_needed_altloc}" + os_linesep
-        msg += "Either specify an altloc for each with option `wanted_altloc`" + os_linesep
-        msg += "or a general default altloc with option `default_altloc`."
-        logger.warning(msg)
+        msg = f"- Residues with alternate location: {res_needed_altloc}" + os_linesep
+        msg += "Either specify an altloc for each with option wanted_altloc" + os_linesep
+        msg += "or a general default altloc with option default_altloc."
+        err += msg
+
     if res_missed_altloc:
-        msg = f"Failed parsing {res_missed_altloc}. Requested altlocs weren't found."
-        logger.warning(msg)
-
-    msg = ""
-    if not allow_bad_res and unmatched_res:
-        msg += f"Failed matching templates for {list(unmatched_res)}" + os_linesep
-    elif not allow_bad_res and unparsed_res:
-        msg += f"Failed parsing {unparsed_res}." + os_linesep
-    if not allow_bad_res and (unmatched_res or unparsed_res):
-        msg += f"These can be ignored with option allow_bad_res" + os_linesep
-    if res_missed_altloc or res_needed_altloc:
-        msg += "Handle AltLocs with default_altloc or wanted_altloc" + os_linesep
-    if msg:
-        raise ChorizoCreationError(msg)
+        msg = f"- Requested altlocs not found for: {res_missed_altloc}." + os_linesep
+        err += msg
+
+    if err:
+        raise ChorizoCreationError(err)
     return
 
 
diff --git a/scripts/mk_prepare_receptor.py b/scripts/mk_prepare_receptor.py
index b6549043..b01fe860 100755
--- a/scripts/mk_prepare_receptor.py
+++ b/scripts/mk_prepare_receptor.py
@@ -522,14 +522,17 @@ def get_args():
             )
         except ChorizoCreationError as err:
             print()
-            print("Creation of data structure for receptor failed.")
+            print("Error: Creation of data structure for receptor failed.")
             print()
+            print("Details: ")
             print(err)
-            print("Use -a/--allow_bad_res to automatically remove residues")
+            print()
+            print("Recommendations: ")
+            print("1. (for batch processing) Use -a/--allow_bad_res to automatically remove residues")
             print("that do not match templates, and --default_altloc to set")
             print("a default altloc variant. Use these at your own risk.")
             print()
-            print("Inspecting and fixing the input structure is recommended.")
+            print("2. (processing individual structure) Inspecting and fixing the input structure is recommended.")
             print("Use --wanted_altloc to set variants for specific residues.")
             sys.exit(1)
 else:

From 83c122bec526f3e00889954c4084388561277ae8 Mon Sep 17 00:00:00 2001
From: diogom <diogom@scripps.edu>
Date: Mon, 14 Oct 2024 19:50:30 -0700
Subject: [PATCH 068/166] re-implement residue.is_flexres_atom, and minor fixes

---
 meeko/linked_rdkit_chorizo.py              | 16 ++++++++++++++++
 scripts/mk_prepare_receptor.py             |  7 ++++---
 test/linked_rdkit_chorizo_creation_test.py |  5 ++++-
 3 files changed, 24 insertions(+), 4 deletions(-)

diff --git a/meeko/linked_rdkit_chorizo.py b/meeko/linked_rdkit_chorizo.py
index 5fecb7c6..348663a3 100644
--- a/meeko/linked_rdkit_chorizo.py
+++ b/meeko/linked_rdkit_chorizo.py
@@ -1423,6 +1423,22 @@ def flexibilize_sidechain(self, residue_id, mk_prep):
             residue.molsetup,
             root_atom_index=link_atoms[0],
         )
+
+        molsetup = residue.molsetup
+        is_rigid_atom = [False for _ in molsetup.atoms]
+        graph = molsetup.flexibility_model["rigid_body_graph"]
+        root_body_idx = molsetup.flexibility_model["root"]
+        conn = molsetup.flexibility_model["rigid_body_connectivity"]
+        rigid_index_by_atom = molsetup.flexibility_model["rigid_index_by_atom"]
+        # from the root, use only the atom that is bonded to the only rotatable bond
+        print(graph)
+        print(rigid_index_by_atom)
+        print(len(rigid_index_by_atom))
+        for other_body_idx in graph[root_body_idx]:
+            root_link_atom_idx = conn[(root_body_idx, other_body_idx)][0]
+            for atom_idx, body_idx in rigid_index_by_atom.items():
+                if body_idx != root_body_idx or atom_idx == root_link_atom_idx:
+                    residue.is_flexres_atom[atom_idx] = True
         return
 
     @staticmethod
diff --git a/scripts/mk_prepare_receptor.py b/scripts/mk_prepare_receptor.py
index b01fe860..59dd3bd0 100755
--- a/scripts/mk_prepare_receptor.py
+++ b/scripts/mk_prepare_receptor.py
@@ -674,8 +674,9 @@ def get_args():
 
 if args.write_pdbqt is not None:
     if args.write_pdbqt:
-        if args.write_pdbqt.endswith(".pdbqt"):
-            fn_base = args.write_pdbqt.rstrip(".pdbqt")
+        if args.write_pdbqt[0].endswith(".pdbqt"):
+            # may need to suffix _rigid/_flex with flexres
+            fn_base = str(pathlib.Path(args.write_pdbqt[0]).with_suffix(""))
         else:
             fn_base = args.write_pdbqt[0]
     else:
@@ -713,7 +714,7 @@ def warn_flexres_outside_box(chorizo, box_center, box_size):
         if not res.is_movable:
             continue
         for atom in res.molsetup.atoms:
-            if not res.is_flexres_atom[atom.index]:  # TODO: not implemented
+            if not res.is_flexres_atom[atom.index]:
                 continue
             if gridbox.is_point_outside_box(atom.coord, box_center, box_size, spacing=1.0):
                 print(
diff --git a/test/linked_rdkit_chorizo_creation_test.py b/test/linked_rdkit_chorizo_creation_test.py
index d78ebef5..7987e01c 100644
--- a/test/linked_rdkit_chorizo_creation_test.py
+++ b/test/linked_rdkit_chorizo_creation_test.py
@@ -74,7 +74,10 @@ def test_flexres_pdbqt():
         set_templates,
         blunt_ends=[(":5", 0), (":18", 2)],
     )
+    res11 = chorizo.residues[":11"]
+    assert sum(res11.is_flexres_atom) == 0
     chorizo.flexibilize_sidechain(":11", mk_prep)
+    assert sum(res11.is_flexres_atom) == 9
     rigid, flex_dict = PDBQTWriterLegacy.write_from_linked_rdkit_chorizo(chorizo)
     nr_rigid_atoms = len(rigid.splitlines())
     assert nr_rigid_atoms == 124
@@ -368,7 +371,7 @@ def test_altloc():
             chem_templates,
             mk_prep,
         )
-    assert str(err_msg.value).startswith("Handle AltLocs")
+    assert "altloc" in str(err_msg.value).lower()
 
     chorizo = LinkedRDKitChorizo.from_pdb_string(
         pdb_text,

From cd0ae259295de45816e6713e5b84312dd918f40f Mon Sep 17 00:00:00 2001
From: diogom <diogom@scripps.edu>
Date: Mon, 14 Oct 2024 23:13:19 -0700
Subject: [PATCH 069/166] suppress rdkit reaction atom map warning in residue
 padder

---
 meeko/__init__.py             |  9 +++++++++
 meeko/linked_rdkit_chorizo.py | 14 ++++++++++++++
 2 files changed, 23 insertions(+)

diff --git a/meeko/__init__.py b/meeko/__init__.py
index a08fff1a..21cd866a 100644
--- a/meeko/__init__.py
+++ b/meeko/__init__.py
@@ -50,6 +50,15 @@
 from .openff_xml_parser import get_openff_epsilon_sigma
 from .hydrate import Hydrate
 
+import logging
+from rdkit import rdBase
+rdkit_logger = logging.getLogger("rdkit")
+rdkit_logger.handlers[0].setLevel("WARNING")
+rdkit_logger.handlers[0].setFormatter(
+    logging.Formatter('[RDKit] %(levelname)s:%(message)s'),
+)
+rdBase.LogToPythonLogger()
+
 __all__ = ['MoleculePreparation', 'RDKitMoleculeSetup', 'MoleculeSetupEncoder',
            'pdbutils', 'geomutils', 'rdkitutils', 'utils',
            'AtomTyper', 'PDBQTMolecule', 'PDBQTReceptor', 'analysis',
diff --git a/meeko/linked_rdkit_chorizo.py b/meeko/linked_rdkit_chorizo.py
index 5fecb7c6..17f696ae 100644
--- a/meeko/linked_rdkit_chorizo.py
+++ b/meeko/linked_rdkit_chorizo.py
@@ -40,6 +40,7 @@ def prody_to_rdkit(*args):
 
 
 logger = logging.getLogger(__name__)
+rdkit_logger = logging.getLogger("rdkit")
 
 residues_rotamers = {
     "SER": [("C", "CA", "CB", "OG")],
@@ -1921,6 +1922,13 @@ def from_json(cls, json_string):
         residue = json.loads(json_string, object_hook=cls.chorizo_residue_json_decoder)
         return residue
 
+class NoAtomMapWarning(logging.Filter):
+    def filter(self, record):
+        fields = record.getMessage().split()
+        a = " ".join(fields[1:4]) == "product atom-mapping number"
+        b = " ".join(fields[5:]) == "not found in reactants."
+        is_atom_map_warning = a and b
+        return not is_atom_map_warning
 
 class ResiduePadder:
     """
@@ -2087,9 +2095,15 @@ def __call__(self, target_mol: Chem.Mol, adjacent_mol = None,
                 atom.GetIntProp("molAtomMapNumber"): atom.GetIdx()
                 for atom in adjacent_smartsmol.GetAtoms() if atom.HasProp("molAtomMapNumber")
                 }
+
+        # suppress rdkit warning about product atom map not found in reactants
+        # e.g. in "[C:1]>>[C:1][O:2]" label :2 is missing in reactants
+        filtr = NoAtomMapWarning()
+        rdkit_logger.addFilter(filtr)
         
         # Get padded mol and index map from the rxn
         outcomes = react_and_map((target_mol,), rxn)
+        rdkit_logger.removeFilter(filtr)
 
         # Filter outcomes by target_required_atom_index
         if target_required_atom_index is not None:

From 490adf1ea6402fac2ca259af9c0e5225768f5a9d Mon Sep 17 00:00:00 2001
From: diogom <diogom@scripps.edu>
Date: Tue, 15 Oct 2024 13:55:40 -0700
Subject: [PATCH 070/166] remove example directory

---
 example/BACE_macrocycle/BACE_4.sdf            |    186 -
 example/autodock_zn/AD4Zn.dat                 |    121 -
 example/autodock_zn/README.txt                |     16 -
 example/autodock_zn/ligand.mol2               |    109 -
 example/autodock_zn/protein.pdb               |   5936 -
 example/autodock_zn/xray_ligand.pdb           |     29 -
 example/chorizo/example-1-all-static.py       |     18 -
 example/chorizo/example-2-flex-res.py         |     26 -
 example/chorizo/example-3-padded-mol.py       |     37 -
 example/chorizo/example-4-mutating.py         |     25 -
 example/chorizo/example-5-missing-atoms.py    |     27 -
 .../chorizo/example-6-exporting-parameters.py |     17 -
 example/chorizo/example-7-meeko-typing.py     |     25 -
 example/chorizo/output_AHHY_flex.pdbqt        |     17 -
 example/chorizo/output_AHHY_rigid.pdbqt       |     36 -
 example/chorizo/run-mk_prepare_receptor.sh    |      1 -
 example/chorizo/to-and-from-json.py           |     28 -
 .../ligand_including_cys_sidechain.sdf        |    154 -
 example/covalent_docking/prepared.pdbqt       |     81 -
 .../prepared_output_reference.pdbqt           |     81 -
 example/covalent_docking/protein.pdb          |    399 -
 example/covalent_docking/run.sh               |      7 -
 .../cyclodextrin-core.mol                     |    306 -
 example/cyclodextrin_flexible/ligand.mol      |     43 -
 example/cyclodextrin_flexible/run.py          |    105 -
 example/cyclodextrin_flexible/sidechain.mol   |     43 -
 .../dihedrals-from-openff.py                  |     50 -
 example/hydrated_docking/1uw6.pdb             |  36745 ----
 .../hydrated_docking/AD4_water_forcefield.dat |    123 -
 .../FULL_HYDRATED_DOCKING_RUN.sh              |      9 -
 example/hydrated_docking/README.txt           |     62 -
 example/hydrated_docking/ligand.pdbqt         |     21 -
 example/hydrated_docking/ligand_HYDRO.pdbqt   |     23 -
 .../hydrated_docking/ligand_HYDRO_protein.dlg |   3461 -
 .../hydrated_docking/ligand_HYDRO_protein.dpf |     48 -
 ...ligand_HYDRO_protein_LELC_DRY_SCORED.pdbqt |     51 -
 .../hydrated_docking/ligand_prepared.pdbqt    |     21 -
 example/hydrated_docking/ligand_xray.pdbqt    |     21 -
 .../hydrated_docking/ligand_xray_HYDRO.pdbqt  |     23 -
 example/hydrated_docking/protein.A.map        | 132657 ---------------
 example/hydrated_docking/protein.C.map        | 132657 ---------------
 example/hydrated_docking/protein.HD.map       | 132657 ---------------
 example/hydrated_docking/protein.N.map        | 132657 ---------------
 example/hydrated_docking/protein.NA.map       | 132657 ---------------
 example/hydrated_docking/protein.OA.map       | 132657 ---------------
 example/hydrated_docking/protein.W.map        | 132657 ---------------
 example/hydrated_docking/protein.d.map        | 132657 ---------------
 example/hydrated_docking/protein.e.map        | 132657 ---------------
 example/hydrated_docking/protein.glg          |  11367 --
 example/hydrated_docking/protein.gpf          |     17 -
 example/hydrated_docking/protein.maps.fld     |     42 -
 example/hydrated_docking/protein.maps.xyz     |      3 -
 example/hydrated_docking/protein.pdbqt        |  10180 --
 example/reactive_adgpu/README.md              |     64 -
 example/writer_example/aspirin.mol2           |     49 -
 example/writer_example/formic.mol2            |     16 -
 example/writer_example/nicotine.mol2          |     64 -
 example/writer_example/noxyde.mol2            |     33 -
 example/writer_example/peptide.mol2           |     38 -
 example/writer_example/pyridine.mol2          |     31 -
 example/writer_example/triamin.mol2           |     34 -
 example/writer_example/water.mol2             |     14 -
 62 files changed, 1264396 deletions(-)
 delete mode 100644 example/BACE_macrocycle/BACE_4.sdf
 delete mode 100644 example/autodock_zn/AD4Zn.dat
 delete mode 100644 example/autodock_zn/README.txt
 delete mode 100644 example/autodock_zn/ligand.mol2
 delete mode 100644 example/autodock_zn/protein.pdb
 delete mode 100644 example/autodock_zn/xray_ligand.pdb
 delete mode 100644 example/chorizo/example-1-all-static.py
 delete mode 100644 example/chorizo/example-2-flex-res.py
 delete mode 100644 example/chorizo/example-3-padded-mol.py
 delete mode 100644 example/chorizo/example-4-mutating.py
 delete mode 100644 example/chorizo/example-5-missing-atoms.py
 delete mode 100644 example/chorizo/example-6-exporting-parameters.py
 delete mode 100644 example/chorizo/example-7-meeko-typing.py
 delete mode 100644 example/chorizo/output_AHHY_flex.pdbqt
 delete mode 100644 example/chorizo/output_AHHY_rigid.pdbqt
 delete mode 100644 example/chorizo/run-mk_prepare_receptor.sh
 delete mode 100644 example/chorizo/to-and-from-json.py
 delete mode 100644 example/covalent_docking/ligand_including_cys_sidechain.sdf
 delete mode 100644 example/covalent_docking/prepared.pdbqt
 delete mode 100644 example/covalent_docking/prepared_output_reference.pdbqt
 delete mode 100644 example/covalent_docking/protein.pdb
 delete mode 100644 example/covalent_docking/run.sh
 delete mode 100644 example/cyclodextrin_flexible/cyclodextrin-core.mol
 delete mode 100644 example/cyclodextrin_flexible/ligand.mol
 delete mode 100644 example/cyclodextrin_flexible/run.py
 delete mode 100644 example/cyclodextrin_flexible/sidechain.mol
 delete mode 100644 example/dihedrals-from-openff/dihedrals-from-openff.py
 delete mode 100644 example/hydrated_docking/1uw6.pdb
 delete mode 100644 example/hydrated_docking/AD4_water_forcefield.dat
 delete mode 100644 example/hydrated_docking/FULL_HYDRATED_DOCKING_RUN.sh
 delete mode 100644 example/hydrated_docking/README.txt
 delete mode 100644 example/hydrated_docking/ligand.pdbqt
 delete mode 100644 example/hydrated_docking/ligand_HYDRO.pdbqt
 delete mode 100644 example/hydrated_docking/ligand_HYDRO_protein.dlg
 delete mode 100644 example/hydrated_docking/ligand_HYDRO_protein.dpf
 delete mode 100644 example/hydrated_docking/ligand_HYDRO_protein_LELC_DRY_SCORED.pdbqt
 delete mode 100644 example/hydrated_docking/ligand_prepared.pdbqt
 delete mode 100644 example/hydrated_docking/ligand_xray.pdbqt
 delete mode 100644 example/hydrated_docking/ligand_xray_HYDRO.pdbqt
 delete mode 100644 example/hydrated_docking/protein.A.map
 delete mode 100644 example/hydrated_docking/protein.C.map
 delete mode 100644 example/hydrated_docking/protein.HD.map
 delete mode 100644 example/hydrated_docking/protein.N.map
 delete mode 100644 example/hydrated_docking/protein.NA.map
 delete mode 100644 example/hydrated_docking/protein.OA.map
 delete mode 100644 example/hydrated_docking/protein.W.map
 delete mode 100644 example/hydrated_docking/protein.d.map
 delete mode 100644 example/hydrated_docking/protein.e.map
 delete mode 100644 example/hydrated_docking/protein.glg
 delete mode 100644 example/hydrated_docking/protein.gpf
 delete mode 100644 example/hydrated_docking/protein.maps.fld
 delete mode 100644 example/hydrated_docking/protein.maps.xyz
 delete mode 100644 example/hydrated_docking/protein.pdbqt
 delete mode 100644 example/reactive_adgpu/README.md
 delete mode 100644 example/writer_example/aspirin.mol2
 delete mode 100644 example/writer_example/formic.mol2
 delete mode 100644 example/writer_example/nicotine.mol2
 delete mode 100644 example/writer_example/noxyde.mol2
 delete mode 100644 example/writer_example/peptide.mol2
 delete mode 100644 example/writer_example/pyridine.mol2
 delete mode 100644 example/writer_example/triamin.mol2
 delete mode 100644 example/writer_example/water.mol2

diff --git a/example/BACE_macrocycle/BACE_4.sdf b/example/BACE_macrocycle/BACE_4.sdf
deleted file mode 100644
index a3cb942f..00000000
--- a/example/BACE_macrocycle/BACE_4.sdf
+++ /dev/null
@@ -1,186 +0,0 @@
-
-     RDKit          3D
-
- 89 91  0  0  0  0  0  0  0  0999 V2000
-   -3.5293   -0.1204    3.2757 C   0  0  0  0  0  0  0  0  0  0  0  0
-   -3.1130   -0.8666    1.9998 C   0  0  2  0  0  0  0  0  0  0  0  0
-   -4.1232   -1.9955    1.6890 C   0  0  0  0  0  0  0  0  0  0  0  0
-   -3.8849   -2.6381    0.3018 C   0  0  0  0  0  0  0  0  0  0  0  0
-   -5.1780   -3.0229   -0.4406 C   0  0  0  0  0  0  0  0  0  0  0  0
-   -6.1038   -1.8398   -0.8089 C   0  0  0  0  0  0  0  0  0  0  0  0
-   -5.3602   -0.6465   -1.4290 C   0  0  0  0  0  0  0  0  0  0  0  0
-   -6.3375    0.4312   -1.9193 C   0  0  0  0  0  0  0  0  0  0  0  0
-   -5.6483    1.5536   -2.4473 O   0  0  0  0  0  0  0  0  0  0  0  0
-   -5.1197    2.3787   -1.4183 C   0  0  0  0  0  0  0  0  0  0  0  0
-   -3.6133    2.2857   -1.3870 C   0  0  0  0  0  0  0  0  0  0  0  0
-   -3.0168    1.9286   -2.4401 O   0  0  0  0  0  0  0  0  0  0  0  0
-   -2.8454    2.6628   -0.2159 N   0  0  0  0  0  0  0  0  0  0  0  0
-   -1.3676    2.6956   -0.2722 C   0  0  2  0  0  0  0  0  0  0  0  0
-   -0.7666    1.9394    0.8938 C   0  0  0  0  0  0  0  0  0  0  0  0
-   -0.3457    2.5542    1.9095 O   0  0  0  0  0  0  0  0  0  0  0  0
-   -0.7419    0.5037    0.8598 N   0  0  0  0  0  0  0  0  0  0  0  0
-   -0.5712   -0.3277    2.0607 C   0  0  1  0  0  0  0  0  0  0  0  0
-   -1.6668   -1.4212    2.1173 C   0  0  0  0  0  0  0  0  0  0  0  0
-    0.8548   -0.9506    2.1130 C   0  0  1  0  0  0  0  0  0  0  0  0
-    1.3720   -1.4532    0.7427 C   0  0  0  0  0  0  0  0  0  0  0  0
-    2.3872   -2.5033    0.9040 N   0  0  0  0  0  0  0  0  0  0  0  0
-    3.3040   -2.5435   -0.2456 C   0  0  0  0  0  0  0  0  0  0  0  0
-    3.4506   -3.9461   -0.8276 C   0  0  0  0  0  0  0  0  0  0  0  0
-    2.7087   -2.8759   -1.6141 C   0  0  0  0  0  0  0  0  0  0  0  0
-    4.5953   -1.7648   -0.1500 C   0  0  0  0  0  0  0  0  0  0  0  0
-    5.6389   -2.2495    0.6491 C   0  0  0  0  0  0  0  0  0  0  0  0
-    6.8253   -1.5316    0.7692 C   0  0  0  0  0  0  0  0  0  0  0  0
-    6.9827   -0.3138    0.1040 C   0  0  0  0  0  0  0  0  0  0  0  0
-    5.9413    0.2154   -0.6978 C   0  0  0  0  0  0  0  0  0  0  0  0
-    4.7451   -0.5349   -0.8050 C   0  0  0  0  0  0  0  0  0  0  0  0
-    6.0822    1.5400   -1.4810 C   0  0  0  0  0  0  0  0  0  0  0  0
-    7.4259    2.2659   -1.2170 C   0  0  0  0  0  0  0  0  0  0  0  0
-    6.0009    1.2436   -2.9929 C   0  0  0  0  0  0  0  0  0  0  0  0
-    4.9437    2.5043   -1.0830 C   0  0  0  0  0  0  0  0  0  0  0  0
-    1.7724   -0.0379    2.6593 O   0  0  0  0  0  0  0  0  0  0  0  0
-   -0.8702    4.1465   -0.3548 C   0  0  0  0  0  0  0  0  0  0  0  0
-   -3.5369    3.0968    1.0040 C   0  0  0  0  0  0  0  0  0  0  0  0
-   -4.5704    0.2487    3.1836 H   0  0  0  0  0  0  0  0  0  0  0  0
-   -3.4667   -0.7932    4.1553 H   0  0  0  0  0  0  0  0  0  0  0  0
-   -2.8859    0.7705    3.4452 H   0  0  0  0  0  0  0  0  0  0  0  0
-   -3.1671   -0.1381    1.1667 H   0  0  0  0  0  0  0  0  0  0  0  0
-   -5.1452   -1.5689    1.7453 H   0  0  0  0  0  0  0  0  0  0  0  0
-   -4.0677   -2.7835    2.4758 H   0  0  0  0  0  0  0  0  0  0  0  0
-   -3.2664   -1.9855   -0.3500 H   0  0  0  0  0  0  0  0  0  0  0  0
-   -3.2862   -3.5630    0.4518 H   0  0  0  0  0  0  0  0  0  0  0  0
-   -4.8954   -3.5528   -1.3782 H   0  0  0  0  0  0  0  0  0  0  0  0
-   -5.7467   -3.7466    0.1831 H   0  0  0  0  0  0  0  0  0  0  0  0
-   -6.8623   -2.2098   -1.5310 H   0  0  0  0  0  0  0  0  0  0  0  0
-   -6.6623   -1.5013    0.0898 H   0  0  0  0  0  0  0  0  0  0  0  0
-   -4.7076   -0.1970   -0.6593 H   0  0  0  0  0  0  0  0  0  0  0  0
-   -4.7304   -0.9907   -2.2788 H   0  0  0  0  0  0  0  0  0  0  0  0
-   -7.0573    0.7169   -1.1187 H   0  0  0  0  0  0  0  0  0  0  0  0
-   -6.9522    0.0009   -2.7390 H   0  0  0  0  0  0  0  0  0  0  0  0
-   -5.3830    3.4284   -1.6562 H   0  0  0  0  0  0  0  0  0  0  0  0
-   -5.5511    2.1657   -0.4128 H   0  0  0  0  0  0  0  0  0  0  0  0
-   -1.0014    2.1905   -1.1957 H   0  0  0  0  0  0  0  0  0  0  0  0
-   -0.9396    0.0279   -0.0491 H   0  0  0  0  0  0  0  0  0  0  0  0
-   -0.6896    0.2920    2.9762 H   0  0  0  0  0  0  0  0  0  0  0  0
-   -1.4739   -2.1408    1.2963 H   0  0  0  0  0  0  0  0  0  0  0  0
-   -1.5729   -1.9874    3.0693 H   0  0  0  0  0  0  0  0  0  0  0  0
-    0.8173   -1.8175    2.8075 H   0  0  0  0  0  0  0  0  0  0  0  0
-    1.7664   -0.5906    0.1607 H   0  0  0  0  0  0  0  0  0  0  0  0
-    0.5296   -1.8817    0.1619 H   0  0  0  0  0  0  0  0  0  0  0  0
-    2.9574   -2.3111    1.7591 H   0  0  0  0  0  0  0  0  0  0  0  0
-    2.7796   -4.7172   -0.4035 H   0  0  0  0  0  0  0  0  0  0  0  0
-    4.4433   -4.1993   -1.2563 H   0  0  0  0  0  0  0  0  0  0  0  0
-    3.2740   -2.4963   -2.4893 H   0  0  0  0  0  0  0  0  0  0  0  0
-    1.6091   -3.0460   -1.6469 H   0  0  0  0  0  0  0  0  0  0  0  0
-    5.5300   -3.1870    1.1752 H   0  0  0  0  0  0  0  0  0  0  0  0
-    7.6283   -1.9224    1.3834 H   0  0  0  0  0  0  0  0  0  0  0  0
-    7.9266    0.1937    0.2276 H   0  0  0  0  0  0  0  0  0  0  0  0
-    3.9295   -0.1728   -1.4154 H   0  0  0  0  0  0  0  0  0  0  0  0
-    7.4719    3.2294   -1.7732 H   0  0  0  0  0  0  0  0  0  0  0  0
-    7.5355    2.5072   -0.1396 H   0  0  0  0  0  0  0  0  0  0  0  0
-    8.2885    1.6507   -1.5536 H   0  0  0  0  0  0  0  0  0  0  0  0
-    6.7907    0.5211   -3.2904 H   0  0  0  0  0  0  0  0  0  0  0  0
-    5.0104    0.8137   -3.2653 H   0  0  0  0  0  0  0  0  0  0  0  0
-    6.1428    2.1777   -3.5863 H   0  0  0  0  0  0  0  0  0  0  0  0
-    3.9463    2.1152   -1.3828 H   0  0  0  0  0  0  0  0  0  0  0  0
-    4.9424    2.6682    0.0138 H   0  0  0  0  0  0  0  0  0  0  0  0
-    5.0739    3.4882   -1.5816 H   0  0  0  0  0  0  0  0  0  0  0  0
-    1.7845    0.7664    2.0803 H   0  0  0  0  0  0  0  0  0  0  0  0
-   -1.3185    4.6403   -1.2441 H   0  0  0  0  0  0  0  0  0  0  0  0
-   -1.1458    4.7235    0.5555 H   0  0  0  0  0  0  0  0  0  0  0  0
-    0.2327    4.1618   -0.4657 H   0  0  0  0  0  0  0  0  0  0  0  0
-   -4.2436    3.9161    0.7654 H   0  0  0  0  0  0  0  0  0  0  0  0
-   -2.8232    3.4837    1.7623 H   0  0  0  0  0  0  0  0  0  0  0  0
-   -4.0893    2.2394    1.4438 H   0  0  0  0  0  0  0  0  0  0  0  0
-  1  2  1  0
-  2  3  1  0
-  3  4  1  0
-  4  5  1  0
-  5  6  1  0
-  6  7  1  0
-  7  8  1  0
-  8  9  1  0
-  9 10  1  0
- 10 11  1  0
- 11 12  2  0
- 11 13  1  0
- 13 14  1  0
- 14 15  1  0
- 15 16  2  0
- 15 17  1  0
- 17 18  1  0
- 18 19  1  0
- 18 20  1  0
- 20 21  1  0
- 21 22  1  0
- 22 23  1  0
- 23 24  1  0
- 24 25  1  0
- 23 26  1  0
- 26 27  2  0
- 27 28  1  0
- 28 29  2  0
- 29 30  1  0
- 30 31  2  0
- 30 32  1  0
- 32 33  1  0
- 32 34  1  0
- 32 35  1  0
- 20 36  1  0
- 14 37  1  0
- 13 38  1  0
- 19  2  1  0
- 25 23  1  0
- 31 26  1  0
-  1 39  1  0
-  1 40  1  0
-  1 41  1  0
-  2 42  1  6
-  3 43  1  0
-  3 44  1  0
-  4 45  1  0
-  4 46  1  0
-  5 47  1  0
-  5 48  1  0
-  6 49  1  0
-  6 50  1  0
-  7 51  1  0
-  7 52  1  0
-  8 53  1  0
-  8 54  1  0
- 10 55  1  0
- 10 56  1  0
- 14 57  1  6
- 17 58  1  0
- 18 59  1  1
- 19 60  1  0
- 19 61  1  0
- 20 62  1  1
- 21 63  1  0
- 21 64  1  0
- 22 65  1  0
- 24 66  1  0
- 24 67  1  0
- 25 68  1  0
- 25 69  1  0
- 27 70  1  0
- 28 71  1  0
- 29 72  1  0
- 31 73  1  0
- 33 74  1  0
- 33 75  1  0
- 33 76  1  0
- 34 77  1  0
- 34 78  1  0
- 34 79  1  0
- 35 80  1  0
- 35 81  1  0
- 35 82  1  0
- 36 83  1  0
- 37 84  1  0
- 37 85  1  0
- 37 86  1  0
- 38 87  1  0
- 38 88  1  0
- 38 89  1  0
-M  END
-$$$$
diff --git a/example/autodock_zn/AD4Zn.dat b/example/autodock_zn/AD4Zn.dat
deleted file mode 100644
index 923a0beb..00000000
--- a/example/autodock_zn/AD4Zn.dat
+++ /dev/null
@@ -1,121 +0,0 @@
-# $Id: AD4.1_bound.dat,v 1.4 2009/04/15 22:38:29 rhuey Exp $
-# 
-# AutoDock 
-# 
-# Copyright (C) 1989-2007,  Garrett M. Morris, David S. Goodsell, Ruth Huey, Arthur J. Olson, 
-# All Rights Reserved.
-# 
-# AutoDock is a Trade Mark of The Scripps Research Institute.
-# 
-# This program is free software; you can redistribute it and/or
-# modify it under the terms of the GNU General Public License
-# as published by the Free Software Foundation; either version 2
-# of the License, or (at your option) any later version.
-# 
-# This program is distributed in the hope that it will be useful,
-# but WITHOUT ANY WARRANTY; without even the implied warranty of
-# MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the
-# GNU General Public License for more details.
-# 
-# You should have received a copy of the GNU General Public License
-# along with this program; if not, write to the Free Software
-# Foundation, Inc., 51 Franklin Street, Fifth Floor, Boston, MA  02110-1301, USA.
-
-# AutoDock Linear Free Energy Model Coefficients and Energetic Parameters
-#                   Version 4.1 Bound
-#                    $Revision: 1.4 $
-
-# FE_unbound_model is used to specify how the internal energy of the
-# ligand should be treated when estimating the free energy of binding,
-# and can be set to one of the following strings:
-#   unbound_same_as_bound, extended, or compact
-# unbound_same_as_bound -- this assumes the internal energy of the ligand is the
-#                          same before and after binding.
-# extended -- this assumes the internal energy of the ligand is that of an 
-#             extended conformation when unbound.
-# compact -- this assumes the internal energy of the ligand is that of a 
-#            compact conformation when unbound.
-#FE_unbound_model unbound_same_as_bound
-
-# AutoDock 4 free energy coefficients with respect to original (AD2) energetic parameters
-#  This model assumes that the bound and unbound conformations are the same.
-#  See Table 3 in Huey,Morris,Olson&Goodsell (2007) J Comput Chem 28: 1145-1152.
-#
-#               Free Energy Coefficient
-#               ------
-FE_coeff_vdW    0.1662
-FE_coeff_hbond  0.1209
-FE_coeff_estat  0.1406
-FE_coeff_desolv 0.1322
-FE_coeff_tors   0.2983
-
-# AutoDock 4 Energy Parameters
-
-# - Atomic solvation volumes and parameters
-# - Unweighted vdW and Unweighted H-bond Well Depths
-#
-# - Atom Types
-# - Rii = sum of vdW radii of two like atoms (in Angstrom)
-# - epsii = vdW well depth (in Kcal/mol)
-# - vol = atomic solvation volume (in Angstrom^3)
-# - solpar = atomic solvation parameter
-# - Rij_hb = H-bond radius of the heteroatom in contact with a hydrogen (in Angstrom)
-# - epsij_hb = well depth of H-bond (in Kcal/mol)
-# - hbond = integer indicating type of H-bonding atom (0=no H-bond)
-# - rec_index = initialised to -1, but later on holds count of how many of this atom type are in receptor
-# - map_index = initialised to -1, but later on holds the index of the AutoGrid map
-# - bond_index = used in AutoDock to detect bonds; see "mdist.h", enum {C,N,O,H,XX,P,S}
-#
-# - To obtain the Rij value for non H-bonding atoms, calculate the 
-#        arithmetic mean of the Rii values for the two atom types.
-#        Rij = (Rii + Rjj) / 2
-#
-# - To obtain the epsij value for non H-bonding atoms, calculate the 
-#        geometric mean of the epsii values for the two atom types.
-#        epsij = sqrt( epsii * epsjj )
-#
-# - Note that the Rij_hb value is non-zero for heteroatoms only, and zero for H atoms;
-#        to obtain the length of an H-bond, look up Rij_hb for the heteroatom only; 
-#        this is combined with the Rii value for H in the receptor, in AutoGrid.
-#        For example, the Rij_hb for OA-HD H-bonds will be (1.9 + 1.0) Angstrom, 
-#        and the weighted epsij_hb will be 5.0 kcal/mol * FE_coeff_hbond.
-#
-#        Atom   Rii                             Rij_hb       rec_index
-#        Type         epsii           solpar         epsij_hb    map_index
-#                            vol                          hbond     bond_index
-#        --     ----  -----  -------  --------  ---  ---  -  --  -- --
-atom_par H      2.00  0.020   0.0000   0.00051  0.0  0.0  0  -1  -1  3	# Non H-bonding Hydrogen
-atom_par HD     2.00  0.020   0.0000   0.00051  0.0  0.0  2  -1  -1  3	# Donor 1 H-bond Hydrogen
-atom_par HS     2.00  0.020   0.0000   0.00051  0.0  0.0  1  -1  -1  3	# Donor S Spherical Hydrogen
-atom_par C      4.00  0.150  33.5103  -0.00143  0.0  0.0  0  -1  -1  0	# Non H-bonding Aliphatic Carbon
-atom_par A      4.00  0.150  33.5103  -0.00052  0.0  0.0  0  -1  -1  0	# Non H-bonding Aromatic Carbon
-atom_par N      3.50  0.160  22.4493  -0.00162  0.0  0.0  0  -1  -1  1	# Non H-bonding Nitrogen
-atom_par NA     3.50  0.160  22.4493  -0.00162  1.9  5.0  4  -1  -1  1	# Acceptor 1 H-bond Nitrogen
-atom_par NS     3.50  0.160  22.4493  -0.00162  1.9  5.0  3  -1  -1  1	# Acceptor S Spherical Nitrogen
-atom_par OA     3.20  0.200  17.1573  -0.00251  1.9  5.0  5  -1  -1  2	# Acceptor 2 H-bonds Oxygen
-atom_par OS     3.20  0.200  17.1573  -0.00251  1.9  5.0  3  -1  -1  2	# Acceptor S Spherical Oxygen
-atom_par F      3.09  0.080  15.4480  -0.00110  0.0  0.0  0  -1  -1  4	# Non H-bonding Fluorine
-atom_par Mg     1.30  0.875   1.5600  -0.00110  0.0  0.0  0  -1  -1  4	# Non H-bonding Magnesium
-atom_par MG     1.30  0.875   1.5600  -0.00110  0.0  0.0  0  -1  -1  4	# Non H-bonding Magnesium
-atom_par P      4.20  0.200  38.7924  -0.00110  0.0  0.0  0  -1  -1  5	# Non H-bonding Phosphorus
-atom_par SA     4.00  0.200  33.5103  -0.00214  2.5  1.0  5  -1  -1  6	# Acceptor 2 H-bonds Sulphur
-atom_par S      4.00  0.200  33.5103  -0.00214  0.0  0.0  0  -1  -1  6	# Non H-bonding Sulphur
-atom_par Cl     4.09  0.276  35.8235  -0.00110  0.0  0.0  0  -1  -1  4	# Non H-bonding Chlorine
-atom_par CL     4.09  0.276  35.8235  -0.00110  0.0  0.0  0  -1  -1  4	# Non H-bonding Chlorine
-atom_par Ca     1.98  0.550   2.7700  -0.00110  0.0  0.0  0  -1  -1  4	# Non H-bonding Calcium
-atom_par CA     1.98  0.550   2.7700  -0.00110  0.0  0.0  0  -1  -1  4	# Non H-bonding Calcium
-atom_par Mn     1.30  0.875   2.1400  -0.00110  0.0  0.0  0  -1  -1  4	# Non H-bonding Manganese
-atom_par MN     1.30  0.875   2.1400  -0.00110  0.0  0.0  0  -1  -1  4	# Non H-bonding Manganese
-atom_par Fe     1.30  0.010   1.8400  -0.00110  0.0  0.0  0  -1  -1  4	# Non H-bonding Iron
-atom_par FE     1.30  0.010   1.8400  -0.00110  0.0  0.0  0  -1  -1  4	# Non H-bonding Iron
-atom_par Zn     1.48  0.550   1.7000  -0.00110  0.0  0.0  0  -1  -1  4	# Non H-bonding Zinc
-atom_par ZN     1.48  0.550   1.7000  -0.00110  0.0  0.0  0  -1  -1  4	# Non H-bonding Zinc
-atom_par Br     4.33  0.389  42.5661  -0.00110  0.0  0.0  0  -1  -1  4	# Non H-bonding Bromine
-atom_par BR     4.33  0.389  42.5661  -0.00110  0.0  0.0  0  -1  -1  4	# Non H-bonding Bromine
-atom_par I      4.72  0.550  55.0585  -0.00110  0.0  0.0  0  -1  -1  4	# Non H-bonding Iodine
-atom_par Z      4.00  0.150  33.5103  -0.00143  0.0  0.0  0  -1  -1  0  # Non H-bonding covalent map
-atom_par G      4.00  0.150  33.5103  -0.00143  0.0  0.0  0  -1  -1  0	# Ring closure Glue Aliphatic Carbon  # SF
-atom_par GA     4.00  0.150  33.5103  -0.00052  0.0  0.0  0  -1  -1  0	# Ring closure Glue Aromatic Carbon   # SF
-atom_par J      4.00  0.150  33.5103  -0.00143  0.0  0.0  0  -1  -1  0	# Ring closure Glue Aliphatic Carbon  # SF
-atom_par Q      4.00  0.150  33.5103  -0.00143  0.0  0.0  0  -1  -1  0	# Ring closure Glue Aliphatic Carbon  # SF
-atom_par TZ     1.00  0.000   0.0000   0.00000  0.0  0.0  0  -1  -1  0  # Tetrahedral Zinc Pseudo Atom
diff --git a/example/autodock_zn/README.txt b/example/autodock_zn/README.txt
deleted file mode 100644
index 91416bff..00000000
--- a/example/autodock_zn/README.txt
+++ /dev/null
@@ -1,16 +0,0 @@
-=================================
-INSTRUCTIONS
--A tutorial with step-by-step instructions is available in the Tutorial directory (zntut.pdf)
-
--This implementation requires a certain degree of familiarity with the standard AutoDock 
-protocol and a bit of the command-line
-interface.
-
--Attached binaries work on Linux only. To use the Zn forcefield on other architectures, 
-download the latest AutoDock version (4.2.6 or newer):
-
-  http://autodock.scripps.edu/downloads/autodock-registration/autodock-4-2-download-page/
-
-or download and compile the source code from the CVS repository).
-
-=================================
diff --git a/example/autodock_zn/ligand.mol2 b/example/autodock_zn/ligand.mol2
deleted file mode 100644
index 525a17e4..00000000
--- a/example/autodock_zn/ligand.mol2
+++ /dev/null
@@ -1,109 +0,0 @@
-@<TRIPOS>MOLECULE
-xray_ligand.pdb
- 49 52 0 0 0
-SMALL
-GASTEIGER
-
-@<TRIPOS>ATOM
-      1  N        259.5800   75.6150 -484.0320 N.3     1  LIG1       -0.2868
-      2  C        259.3090   74.8330 -482.8220 C.3     1  LIG1        0.0160
-      3  C        257.9120   74.2880 -483.1630 C.3     1  LIG1        0.0326
-      4  N        256.8610   75.1850 -483.6490 N.am    1  LIG1       -0.2691
-      5  C        257.2400   76.4410 -484.1350 C.2     1  LIG1        0.2339
-      6  O        256.4140   77.2290 -484.5530 O.2     1  LIG1       -0.2738
-      7  C        258.7510   76.8230 -484.1420 C.3     1  LIG1        0.0766
-      8  C        255.5600   74.7360 -483.6010 C.ar    1  LIG1        0.0377
-      9  C        255.0890   74.2120 -484.7950 C.ar    1  LIG1       -0.0219
-     10  C        253.7940   73.7060 -484.9130 C.ar    1  LIG1        0.0427
-     11 CL        253.3220   73.0680 -486.4440 Cl      1  LIG1       -0.0835
-     12  C        252.9340   73.7290 -483.7950 C.ar    1  LIG1       -0.0433
-     13  C        253.3860   74.2610 -482.5600 C.ar    1  LIG1       -0.0586
-     14  C        254.7020   74.7650 -482.4470 C.ar    1  LIG1       -0.0402
-     15  C        260.9430   76.0340 -484.3620 C.3     1  LIG1        0.0414
-     16  C        261.1060   76.0200 -485.8800 C.ar    1  LIG1        0.0524
-     17  C        260.1300   75.8620 -486.7960 C.ar    1  LIG1        0.0499
-     18  N        260.8040   75.9320 -488.0610 N.ar    1  LIG1       -0.2437
-     19  C        262.1530   76.1330 -487.7960 C.ar    1  LIG1        0.0964
-     20  N        262.3180   76.1830 -486.4880 N.ar    1  LIG1       -0.3285
-     21  C        263.6420   76.3850 -485.8530 C.3     1  LIG1        0.0494
-     22  C        264.4400   77.5630 -486.4290 C.ar    1  LIG1       -0.0277
-     23  C        263.8120   78.7640 -486.7860 C.ar    1  LIG1       -0.0557
-     24  C        264.5480   79.8270 -487.3190 C.ar    1  LIG1       -0.0440
-     25  C        265.9460   79.7080 -487.5050 C.ar    1  LIG1        0.0518
-     26  C        266.5840   78.5320 -487.1540 C.ar    1  LIG1       -0.0440
-     27  C        265.8380   77.4580 -486.6150 C.ar    1  LIG1       -0.0557
-     28  C        266.6390   80.7160 -488.0230 C.1     1  LIG1        0.0992
-     29  N        267.2540   81.6030 -488.4800 N.1     1  LIG1       -0.1909
-     30 H         259.2923   75.4485 -481.9469 H       1  LIG1        0.0442
-     31 H         260.0408   74.0862 -482.5950 H       1  LIG1        0.0442
-     32 H         258.0501   73.5413 -483.9168 H       1  LIG1        0.0481
-     33 H         257.5380   73.9737 -482.2110 H       1  LIG1        0.0481
-     34 H         258.9561   77.4691 -483.3141 H       1  LIG1        0.0522
-     35 H         258.9809   77.3219 -485.0602 H       1  LIG1        0.0522
-     36 H         255.7121   74.1958 -485.6175 H       1  LIG1        0.0651
-     37 H         251.9743   73.3582 -483.8757 H       1  LIG1        0.0632
-     38 H         252.7542   74.2801 -481.7442 H       1  LIG1        0.0619
-     39 H         255.0416   75.1476 -481.5508 H       1  LIG1        0.0636
-     40 H         261.1156   77.0225 -483.9905 H       1  LIG1        0.0491
-     41 H         261.6482   75.3658 -483.9136 H       1  LIG1        0.0491
-     42 H         259.1219   75.7218 -486.6255 H       1  LIG1        0.0848
-     43 H         262.8993   76.2272 -488.5025 H       1  LIG1        0.1029
-     44 H         264.2176   75.4927 -485.9849 H       1  LIG1        0.0542
-     45 H         263.4592   76.6103 -484.8231 H       1  LIG1        0.0542
-     46 H         262.7935   78.8652 -486.6539 H       1  LIG1        0.0621
-     47 H         264.0689   80.7035 -487.5783 H       1  LIG1        0.0630
-     48 H         267.6033   78.4383 -487.2853 H       1  LIG1        0.0630
-     49 H         266.3212   76.5844 -486.3535 H       1  LIG1        0.0621
-@<TRIPOS>BOND
-     1    29    28    3
-     2    18    19   ar
-     3    18    17   ar
-     4    28    25    1
-     5    19    20   ar
-     6    25    24   ar
-     7    25    26   ar
-     8    24    23   ar
-     9    26    27   ar
-    10    17    16   ar
-    11    23    22   ar
-    12    27    22   ar
-    13    20    16   ar
-    14    20    21    1
-    15    11    10    1
-    16    22    21    1
-    17    16    15    1
-    18    10     9   ar
-    19    10    12   ar
-    20     9     8   ar
-    21     6     5    2
-    22    15     1    1
-    23     7     5    1
-    24     7     1    1
-    25     5     4   am
-    26     1     2    1
-    27    12    13   ar
-    28     4     8    1
-    29     4     3    1
-    30     8    14   ar
-    31     3     2    1
-    32    13    14   ar
-    33     2    30    1
-    34     2    31    1
-    35     3    32    1
-    36     3    33    1
-    37     7    34    1
-    38     7    35    1
-    39     9    36    1
-    40    12    37    1
-    41    13    38    1
-    42    14    39    1
-    43    15    40    1
-    44    15    41    1
-    45    17    42    1
-    46    19    43    1
-    47    21    44    1
-    48    21    45    1
-    49    23    46    1
-    50    24    47    1
-    51    26    48    1
-    52    27    49    1
diff --git a/example/autodock_zn/protein.pdb b/example/autodock_zn/protein.pdb
deleted file mode 100644
index e5d7257a..00000000
--- a/example/autodock_zn/protein.pdb
+++ /dev/null
@@ -1,5936 +0,0 @@
-ATOM      1  N   PHE A  55      27.915 159.076 -17.014  1.00 53.78           N  
-ATOM      2  CA  PHE A  55      27.563 160.522 -16.920  1.00 54.00           C  
-ATOM      3  C   PHE A  55      27.262 160.894 -15.469  1.00 51.99           C  
-ATOM      4  O   PHE A  55      28.190 161.132 -14.693  1.00 52.88           O  
-ATOM      5  CB  PHE A  55      26.387 160.848 -17.849  1.00 56.04           C  
-ATOM      6  CG  PHE A  55      26.812 161.313 -19.212  1.00 59.18           C  
-ATOM      7  CD1 PHE A  55      25.970 162.107 -19.984  1.00 60.87           C  
-ATOM      8  CD2 PHE A  55      28.084 161.002 -19.704  1.00 61.11           C  
-ATOM      9  CE1 PHE A  55      26.391 162.595 -21.232  1.00 62.84           C  
-ATOM     10  CE2 PHE A  55      28.518 161.481 -20.946  1.00 62.60           C  
-ATOM     11  CZ  PHE A  55      27.669 162.282 -21.714  1.00 62.88           C  
-ATOM     12  N   VAL A  56      25.984 160.930 -15.099  1.00 47.80           N  
-ATOM     13  CA  VAL A  56      25.605 161.240 -13.729  1.00 41.94           C  
-ATOM     14  C   VAL A  56      24.992 160.021 -13.050  1.00 38.42           C  
-ATOM     15  O   VAL A  56      24.101 159.374 -13.596  1.00 35.94           O  
-ATOM     16  CB  VAL A  56      24.630 162.450 -13.623  1.00 40.71           C  
-ATOM     17  CG1 VAL A  56      25.413 163.711 -13.459  1.00 41.30           C  
-ATOM     18  CG2 VAL A  56      23.721 162.544 -14.847  1.00 39.48           C  
-ATOM     19  N   SER A  57      25.523 159.693 -11.882  1.00 35.34           N  
-ATOM     20  CA  SER A  57      25.046 158.574 -11.088  1.00 34.03           C  
-ATOM     21  C   SER A  57      23.793 159.003 -10.304  1.00 31.91           C  
-ATOM     22  O   SER A  57      23.554 160.198 -10.112  1.00 30.66           O  
-ATOM     23  CB  SER A  57      26.170 158.123 -10.144  1.00 34.64           C  
-ATOM     24  OG  SER A  57      25.681 157.604  -8.916  1.00 39.92           O  
-ATOM     25  N   LEU A  58      23.009 158.028  -9.848  1.00 29.80           N  
-ATOM     26  CA  LEU A  58      21.788 158.287  -9.084  1.00 28.49           C  
-ATOM     27  C   LEU A  58      22.004 159.098  -7.821  1.00 27.66           C  
-ATOM     28  O   LEU A  58      21.069 159.722  -7.333  1.00 27.51           O  
-ATOM     29  CB  LEU A  58      21.108 156.978  -8.690  1.00 27.77           C  
-ATOM     30  CG  LEU A  58      20.095 156.393  -9.659  1.00 29.69           C  
-ATOM     31  CD1 LEU A  58      20.042 154.915  -9.423  1.00 32.62           C  
-ATOM     32  CD2 LEU A  58      18.728 157.017  -9.468  1.00 28.60           C  
-ATOM     33  N   ASP A  59      23.203 159.028  -7.251  1.00 28.32           N  
-ATOM     34  CA  ASP A  59      23.496 159.766  -6.029  1.00 29.01           C  
-ATOM     35  C   ASP A  59      24.250 161.068  -6.277  1.00 27.11           C  
-ATOM     36  O   ASP A  59      24.466 161.847  -5.345  1.00 30.01           O  
-ATOM     37  CB  ASP A  59      24.298 158.904  -5.063  1.00 34.72           C  
-ATOM     38  CG  ASP A  59      23.696 157.528  -4.873  1.00 41.92           C  
-ATOM     39  OD1 ASP A  59      24.254 156.569  -5.459  1.00 45.04           O  
-ATOM     40  OD2 ASP A  59      22.670 157.410  -4.154  1.00 44.12           O  
-ATOM     41  N   SER A  60      24.651 161.305  -7.521  1.00 24.17           N  
-ATOM     42  CA  SER A  60      25.391 162.515  -7.873  1.00 22.89           C  
-ATOM     43  C   SER A  60      24.597 163.766  -7.533  1.00 20.89           C  
-ATOM     44  O   SER A  60      23.385 163.798  -7.726  1.00 20.48           O  
-ATOM     45  CB  SER A  60      25.700 162.515  -9.361  1.00 23.67           C  
-ATOM     46  OG  SER A  60      26.535 161.422  -9.684  1.00 30.22           O  
-ATOM     47  N   PRO A  61      25.270 164.826  -7.048  1.00 19.61           N  
-ATOM     48  CA  PRO A  61      24.536 166.052  -6.710  1.00 18.79           C  
-ATOM     49  C   PRO A  61      23.791 166.680  -7.893  1.00 17.51           C  
-ATOM     50  O   PRO A  61      22.714 167.243  -7.714  1.00 18.71           O  
-ATOM     51  CB  PRO A  61      25.627 166.968  -6.137  1.00 18.69           C  
-ATOM     52  CG  PRO A  61      26.893 166.454  -6.768  1.00 20.23           C  
-ATOM     53  CD  PRO A  61      26.693 164.958  -6.695  1.00 18.64           C  
-ATOM     54  N   SER A  62      24.306 166.502  -9.107  1.00 17.35           N  
-ATOM     55  CA  SER A  62      23.651 167.070 -10.272  1.00 17.20           C  
-ATOM     56  C   SER A  62      22.689 166.125 -10.980  1.00 17.92           C  
-ATOM     57  O   SER A  62      22.242 166.423 -12.092  1.00 19.68           O  
-ATOM     58  CB  SER A  62      24.680 167.603 -11.264  1.00 17.00           C  
-ATOM     59  OG  SER A  62      25.387 166.547 -11.878  1.00 18.96           O  
-ATOM     60  N   TYR A  63      22.365 164.990 -10.364  1.00 17.42           N  
-ATOM     61  CA  TYR A  63      21.434 164.054 -10.993  1.00 17.44           C  
-ATOM     62  C   TYR A  63      20.071 164.728 -11.222  1.00 16.70           C  
-ATOM     63  O   TYR A  63      19.561 165.446 -10.358  1.00 19.00           O  
-ATOM     64  CB  TYR A  63      21.265 162.791 -10.133  1.00 17.19           C  
-ATOM     65  CG  TYR A  63      20.276 161.777 -10.703  1.00 17.58           C  
-ATOM     66  CD1 TYR A  63      20.667 160.868 -11.686  1.00 17.25           C  
-ATOM     67  CD2 TYR A  63      18.955 161.715 -10.242  1.00 17.60           C  
-ATOM     68  CE1 TYR A  63      19.771 159.916 -12.193  1.00 16.74           C  
-ATOM     69  CE2 TYR A  63      18.047 160.769 -10.746  1.00 17.10           C  
-ATOM     70  CZ  TYR A  63      18.465 159.870 -11.720  1.00 17.99           C  
-ATOM     71  OH  TYR A  63      17.589 158.913 -12.208  1.00 17.21           O  
-ATOM     72  N   VAL A  64      19.492 164.489 -12.389  1.00 16.37           N  
-ATOM     73  CA  VAL A  64      18.200 165.040 -12.745  1.00 15.55           C  
-ATOM     74  C   VAL A  64      17.283 163.865 -13.089  1.00 17.63           C  
-ATOM     75  O   VAL A  64      17.713 162.903 -13.738  1.00 16.58           O  
-ATOM     76  CB  VAL A  64      18.326 165.975 -13.985  1.00 16.08           C  
-ATOM     77  CG1 VAL A  64      16.959 166.447 -14.452  1.00 16.86           C  
-ATOM     78  CG2 VAL A  64      19.199 167.168 -13.648  1.00 16.07           C  
-ATOM     79  N   LEU A  65      16.033 163.927 -12.637  1.00 18.39           N  
-ATOM     80  CA  LEU A  65      15.068 162.870 -12.940  1.00 19.63           C  
-ATOM     81  C   LEU A  65      14.798 162.871 -14.441  1.00 20.12           C  
-ATOM     82  O   LEU A  65      14.777 163.918 -15.082  1.00 19.40           O  
-ATOM     83  CB  LEU A  65      13.740 163.086 -12.202  1.00 21.58           C  
-ATOM     84  CG  LEU A  65      13.746 163.168 -10.681  1.00 24.12           C  
-ATOM     85  CD1 LEU A  65      12.312 163.253 -10.220  1.00 28.28           C  
-ATOM     86  CD2 LEU A  65      14.415 161.967 -10.069  1.00 23.80           C  
-ATOM     87  N   TYR A  66      14.557 161.690 -14.995  1.00 19.29           N  
-ATOM     88  CA  TYR A  66      14.290 161.552 -16.410  1.00 17.61           C  
-ATOM     89  C   TYR A  66      13.114 162.392 -16.897  1.00 18.36           C  
-ATOM     90  O   TYR A  66      13.130 162.890 -18.020  1.00 18.24           O  
-ATOM     91  CB  TYR A  66      14.124 160.066 -16.764  1.00 16.66           C  
-ATOM     92  CG  TYR A  66      15.456 159.340 -16.803  1.00 17.35           C  
-ATOM     93  CD1 TYR A  66      16.066 158.890 -15.627  1.00 15.87           C  
-ATOM     94  CD2 TYR A  66      16.143 159.173 -18.011  1.00 17.08           C  
-ATOM     95  CE1 TYR A  66      17.333 158.298 -15.651  1.00 15.61           C  
-ATOM     96  CE2 TYR A  66      17.406 158.582 -18.048  1.00 17.43           C  
-ATOM     97  CZ  TYR A  66      17.994 158.149 -16.866  1.00 17.34           C  
-ATOM     98  OH  TYR A  66      19.243 157.573 -16.905  1.00 17.61           O  
-ATOM     99  N   ARG A  67      12.115 162.597 -16.048  1.00 18.71           N  
-ATOM    100  CA  ARG A  67      10.964 163.392 -16.464  1.00 20.80           C  
-ATOM    101  C   ARG A  67      11.315 164.877 -16.650  1.00 21.68           C  
-ATOM    102  O   ARG A  67      10.555 165.625 -17.271  1.00 23.78           O  
-ATOM    103  CB  ARG A  67       9.805 163.239 -15.482  1.00 18.75           C  
-ATOM    104  CG  ARG A  67      10.073 163.758 -14.083  1.00 19.62           C  
-ATOM    105  CD  ARG A  67       8.746 163.904 -13.342  1.00 21.16           C  
-ATOM    106  NE  ARG A  67       8.907 164.400 -11.978  1.00 20.26           N  
-ATOM    107  CZ  ARG A  67       9.019 163.629 -10.903  1.00 21.29           C  
-ATOM    108  NH1 ARG A  67       8.990 162.305 -11.012  1.00 22.99           N  
-ATOM    109  NH2 ARG A  67       9.168 164.183  -9.712  1.00 20.27           N  
-ATOM    110  N   ASP A  68      12.486 165.271 -16.156  1.00 21.44           N  
-ATOM    111  CA  ASP A  68      12.972 166.649 -16.243  1.00 21.40           C  
-ATOM    112  C   ASP A  68      14.088 166.839 -17.259  1.00 22.16           C  
-ATOM    113  O   ASP A  68      14.586 167.947 -17.414  1.00 26.56           O  
-ATOM    114  CB  ASP A  68      13.479 167.114 -14.874  1.00 19.76           C  
-ATOM    115  CG  ASP A  68      12.374 167.213 -13.840  1.00 19.81           C  
-ATOM    116  OD1 ASP A  68      11.234 167.517 -14.223  1.00 23.69           O  
-ATOM    117  OD2 ASP A  68      12.634 166.999 -12.642  1.00 20.89           O  
-ATOM    118  N   ARG A  69      14.506 165.772 -17.930  1.00 21.92           N  
-ATOM    119  CA  ARG A  69      15.590 165.853 -18.911  1.00 21.22           C  
-ATOM    120  C   ARG A  69      15.089 166.210 -20.310  1.00 22.41           C  
-ATOM    121  O   ARG A  69      14.278 165.489 -20.905  1.00 21.50           O  
-ATOM    122  CB  ARG A  69      16.363 164.536 -18.949  1.00 18.95           C  
-ATOM    123  CG  ARG A  69      16.980 164.160 -17.619  1.00 19.02           C  
-ATOM    124  CD  ARG A  69      17.789 162.865 -17.725  1.00 18.41           C  
-ATOM    125  NE  ARG A  69      18.287 162.446 -16.421  1.00 18.17           N  
-ATOM    126  CZ  ARG A  69      19.360 161.687 -16.225  1.00 17.67           C  
-ATOM    127  NH1 ARG A  69      20.069 161.248 -17.251  1.00 18.83           N  
-ATOM    128  NH2 ARG A  69      19.735 161.378 -14.994  1.00 17.49           N  
-ATOM    129  N   ALA A  70      15.609 167.303 -20.858  1.00 23.35           N  
-ATOM    130  CA  ALA A  70      15.186 167.762 -22.180  1.00 23.47           C  
-ATOM    131  C   ALA A  70      15.399 166.710 -23.262  1.00 23.48           C  
-ATOM    132  O   ALA A  70      14.560 166.537 -24.148  1.00 25.19           O  
-ATOM    133  CB  ALA A  70      15.902 169.054 -22.544  1.00 23.04           C  
-ATOM    134  N   GLU A  71      16.490 165.959 -23.157  1.00 23.29           N  
-ATOM    135  CA  GLU A  71      16.800 164.928 -24.144  1.00 22.14           C  
-ATOM    136  C   GLU A  71      15.885 163.703 -24.078  1.00 21.24           C  
-ATOM    137  O   GLU A  71      16.019 162.791 -24.880  1.00 21.64           O  
-ATOM    138  CB  GLU A  71      18.272 164.508 -24.050  1.00 24.55           C  
-ATOM    139  CG  GLU A  71      18.648 163.727 -22.801  1.00 24.94           C  
-ATOM    140  CD  GLU A  71      19.079 164.592 -21.629  1.00 27.08           C  
-ATOM    141  OE1 GLU A  71      18.685 165.776 -21.536  1.00 26.55           O  
-ATOM    142  OE2 GLU A  71      19.822 164.068 -20.776  1.00 26.94           O  
-ATOM    143  N   TRP A  72      14.970 163.685 -23.112  1.00 20.79           N  
-ATOM    144  CA  TRP A  72      14.018 162.586 -22.961  1.00 20.39           C  
-ATOM    145  C   TRP A  72      12.586 163.086 -23.136  1.00 21.96           C  
-ATOM    146  O   TRP A  72      11.642 162.298 -23.090  1.00 21.43           O  
-ATOM    147  CB  TRP A  72      14.154 161.938 -21.575  1.00 18.33           C  
-ATOM    148  CG  TRP A  72      15.296 160.968 -21.475  1.00 20.21           C  
-ATOM    149  CD1 TRP A  72      16.585 161.240 -21.092  1.00 19.03           C  
-ATOM    150  CD2 TRP A  72      15.259 159.572 -21.794  1.00 19.97           C  
-ATOM    151  NE1 TRP A  72      17.348 160.100 -21.160  1.00 19.42           N  
-ATOM    152  CE2 TRP A  72      16.561 159.061 -21.583  1.00 19.93           C  
-ATOM    153  CE3 TRP A  72      14.251 158.703 -22.239  1.00 18.95           C  
-ATOM    154  CZ2 TRP A  72      16.879 157.721 -21.799  1.00 20.07           C  
-ATOM    155  CZ3 TRP A  72      14.569 157.368 -22.454  1.00 21.20           C  
-ATOM    156  CH2 TRP A  72      15.873 156.892 -22.234  1.00 21.72           C  
-ATOM    157  N   ALA A  73      12.427 164.384 -23.392  1.00 22.92           N  
-ATOM    158  CA  ALA A  73      11.098 164.987 -23.530  1.00 23.15           C  
-ATOM    159  C   ALA A  73      10.215 164.400 -24.634  1.00 23.47           C  
-ATOM    160  O   ALA A  73       8.985 164.398 -24.533  1.00 24.56           O  
-ATOM    161  CB  ALA A  73      11.227 166.515 -23.690  1.00 21.54           C  
-ATOM    162  N   ASP A  74      10.835 163.872 -25.677  1.00 24.54           N  
-ATOM    163  CA  ASP A  74      10.086 163.312 -26.798  1.00 26.35           C  
-ATOM    164  C   ASP A  74       9.456 161.946 -26.544  1.00 28.26           C  
-ATOM    165  O   ASP A  74       8.751 161.428 -27.404  1.00 29.02           O  
-ATOM    166  CB  ASP A  74      11.007 163.170 -27.994  1.00 27.58           C  
-ATOM    167  CG  ASP A  74      12.130 162.192 -27.724  1.00 29.85           C  
-ATOM    168  OD1 ASP A  74      12.129 161.095 -28.322  1.00 32.50           O  
-ATOM    169  OD2 ASP A  74      12.978 162.506 -26.863  1.00 31.73           O  
-ATOM    170  N   ILE A  75       9.758 161.321 -25.416  1.00 28.50           N  
-ATOM    171  CA  ILE A  75       9.205 160.000 -25.154  1.00 28.73           C  
-ATOM    172  C   ILE A  75       8.369 160.041 -23.884  1.00 27.38           C  
-ATOM    173  O   ILE A  75       8.763 160.674 -22.905  1.00 27.19           O  
-ATOM    174  CB  ILE A  75      10.340 158.929 -25.086  1.00 30.34           C  
-ATOM    175  CG1 ILE A  75       9.750 157.522 -24.996  1.00 33.31           C  
-ATOM    176  CG2 ILE A  75      11.261 159.194 -23.920  1.00 30.55           C  
-ATOM    177  CD1 ILE A  75      10.802 156.418 -24.972  1.00 35.04           C  
-ATOM    178  N   ASP A  76       7.180 159.444 -23.936  1.00 25.36           N  
-ATOM    179  CA  ASP A  76       6.288 159.423 -22.783  1.00 25.33           C  
-ATOM    180  C   ASP A  76       6.600 158.251 -21.874  1.00 25.36           C  
-ATOM    181  O   ASP A  76       6.730 157.116 -22.335  1.00 25.08           O  
-ATOM    182  CB  ASP A  76       4.830 159.306 -23.214  1.00 27.92           C  
-ATOM    183  CG  ASP A  76       4.329 160.539 -23.923  1.00 32.37           C  
-ATOM    184  OD1 ASP A  76       4.664 161.660 -23.481  1.00 32.95           O  
-ATOM    185  OD2 ASP A  76       3.591 160.379 -24.919  1.00 34.97           O  
-ATOM    186  N   PRO A  77       6.712 158.507 -20.565  1.00 23.97           N  
-ATOM    187  CA  PRO A  77       7.004 157.432 -19.614  1.00 23.35           C  
-ATOM    188  C   PRO A  77       5.814 156.466 -19.570  1.00 24.55           C  
-ATOM    189  O   PRO A  77       4.682 156.855 -19.873  1.00 23.90           O  
-ATOM    190  CB  PRO A  77       7.167 158.189 -18.301  1.00 23.74           C  
-ATOM    191  CG  PRO A  77       6.226 159.377 -18.472  1.00 23.12           C  
-ATOM    192  CD  PRO A  77       6.523 159.799 -19.881  1.00 22.53           C  
-ATOM    193  N   VAL A  78       6.076 155.196 -19.267  1.00 24.08           N  
-ATOM    194  CA  VAL A  78       5.014 154.200 -19.180  1.00 22.88           C  
-ATOM    195  C   VAL A  78       4.905 153.733 -17.727  1.00 23.52           C  
-ATOM    196  O   VAL A  78       5.778 153.017 -17.229  1.00 22.78           O  
-ATOM    197  CB  VAL A  78       5.294 152.990 -20.096  1.00 23.06           C  
-ATOM    198  CG1 VAL A  78       4.273 151.880 -19.836  1.00 21.54           C  
-ATOM    199  CG2 VAL A  78       5.244 153.418 -21.549  1.00 20.47           C  
-ATOM    200  N   PRO A  79       3.868 154.195 -17.008  1.00 23.75           N  
-ATOM    201  CA  PRO A  79       3.702 153.785 -15.608  1.00 24.43           C  
-ATOM    202  C   PRO A  79       3.407 152.288 -15.482  1.00 23.95           C  
-ATOM    203  O   PRO A  79       2.917 151.656 -16.426  1.00 22.89           O  
-ATOM    204  CB  PRO A  79       2.531 154.651 -15.131  1.00 24.46           C  
-ATOM    205  CG  PRO A  79       1.745 154.896 -16.376  1.00 26.26           C  
-ATOM    206  CD  PRO A  79       2.816 155.146 -17.411  1.00 23.85           C  
-ATOM    207  N   GLN A  80       3.751 151.720 -14.333  1.00 22.25           N  
-ATOM    208  CA  GLN A  80       3.522 150.304 -14.082  1.00 23.31           C  
-ATOM    209  C   GLN A  80       2.036 150.034 -13.866  1.00 24.92           C  
-ATOM    210  O   GLN A  80       1.375 150.738 -13.108  1.00 25.20           O  
-ATOM    211  CB  GLN A  80       4.319 149.858 -12.855  1.00 22.54           C  
-ATOM    212  CG  GLN A  80       4.154 148.400 -12.478  1.00 20.70           C  
-ATOM    213  CD  GLN A  80       5.176 147.978 -11.462  1.00 19.88           C  
-ATOM    214  OE1 GLN A  80       6.211 147.416 -11.808  1.00 20.82           O  
-ATOM    215  NE2 GLN A  80       4.922 148.285 -10.202  1.00 19.69           N  
-ATOM    216  N   ASN A  81       1.518 149.009 -14.529  1.00 27.51           N  
-ATOM    217  CA  ASN A  81       0.113 148.655 -14.392  1.00 29.68           C  
-ATOM    218  C   ASN A  81      -0.041 147.607 -13.299  1.00 27.65           C  
-ATOM    219  O   ASN A  81       0.091 146.420 -13.570  1.00 27.24           O  
-ATOM    220  CB  ASN A  81      -0.422 148.088 -15.711  1.00 34.92           C  
-ATOM    221  CG  ASN A  81      -1.911 147.742 -15.642  1.00 39.03           C  
-ATOM    222  OD1 ASN A  81      -2.663 148.262 -14.792  1.00 38.71           O  
-ATOM    223  ND2 ASN A  81      -2.345 146.855 -16.537  1.00 41.18           N  
-ATOM    224  N   ASP A  82      -0.323 148.049 -12.076  1.00 27.30           N  
-ATOM    225  CA  ASP A  82      -0.489 147.146 -10.943  1.00 27.35           C  
-ATOM    226  C   ASP A  82      -1.936 146.692 -10.696  1.00 29.12           C  
-ATOM    227  O   ASP A  82      -2.193 145.823  -9.844  1.00 30.08           O  
-ATOM    228  CB  ASP A  82       0.068 147.785  -9.668  1.00 27.13           C  
-ATOM    229  CG  ASP A  82       1.506 147.382  -9.375  1.00 27.63           C  
-ATOM    230  OD1 ASP A  82       2.073 146.549 -10.109  1.00 23.73           O  
-ATOM    231  OD2 ASP A  82       2.066 147.886  -8.376  1.00 31.80           O  
-ATOM    232  N   GLY A  83      -2.875 147.254 -11.447  1.00 28.42           N  
-ATOM    233  CA  GLY A  83      -4.265 146.887 -11.257  1.00 28.31           C  
-ATOM    234  C   GLY A  83      -4.939 147.854 -10.305  1.00 29.10           C  
-ATOM    235  O   GLY A  83      -4.253 148.577  -9.571  1.00 28.43           O  
-ATOM    236  N   PRO A  84      -6.283 147.891 -10.284  1.00 30.13           N  
-ATOM    237  CA  PRO A  84      -7.040 148.791  -9.410  1.00 30.49           C  
-ATOM    238  C   PRO A  84      -6.878 148.565  -7.912  1.00 31.49           C  
-ATOM    239  O   PRO A  84      -6.897 149.526  -7.152  1.00 31.99           O  
-ATOM    240  CB  PRO A  84      -8.482 148.590  -9.877  1.00 30.49           C  
-ATOM    241  CG  PRO A  84      -8.491 147.179 -10.374  1.00 30.52           C  
-ATOM    242  CD  PRO A  84      -7.193 147.093 -11.128  1.00 30.23           C  
-ATOM    243  N   ASN A  85      -6.711 147.311  -7.485  1.00 32.21           N  
-ATOM    244  CA  ASN A  85      -6.553 146.988  -6.057  1.00 32.45           C  
-ATOM    245  C   ASN A  85      -5.277 146.184  -5.920  1.00 31.83           C  
-ATOM    246  O   ASN A  85      -5.312 144.959  -5.800  1.00 31.97           O  
-ATOM    247  CB  ASN A  85      -7.725 146.136  -5.560  1.00 34.89           C  
-ATOM    248  CG  ASN A  85      -9.043 146.551  -6.163  1.00 37.28           C  
-ATOM    249  OD1 ASN A  85      -9.611 147.576  -5.793  1.00 38.07           O  
-ATOM    250  ND2 ASN A  85      -9.525 145.772  -7.124  1.00 39.39           N  
-ATOM    251  N   PRO A  86      -4.129 146.864  -5.916  1.00 31.61           N  
-ATOM    252  CA  PRO A  86      -2.819 146.217  -5.808  1.00 30.68           C  
-ATOM    253  C   PRO A  86      -2.480 145.388  -4.565  1.00 27.73           C  
-ATOM    254  O   PRO A  86      -2.972 145.638  -3.458  1.00 27.13           O  
-ATOM    255  CB  PRO A  86      -1.843 147.387  -6.008  1.00 32.41           C  
-ATOM    256  CG  PRO A  86      -2.610 148.558  -5.503  1.00 34.17           C  
-ATOM    257  CD  PRO A  86      -3.987 148.325  -6.043  1.00 32.28           C  
-ATOM    258  N   VAL A  87      -1.647 144.379  -4.785  1.00 23.06           N  
-ATOM    259  CA  VAL A  87      -1.177 143.513  -3.724  1.00 20.01           C  
-ATOM    260  C   VAL A  87       0.339 143.585  -3.818  1.00 18.60           C  
-ATOM    261  O   VAL A  87       0.873 143.947  -4.882  1.00 16.80           O  
-ATOM    262  CB  VAL A  87      -1.697 142.073  -3.873  1.00 22.38           C  
-ATOM    263  CG1 VAL A  87      -3.214 142.047  -3.652  1.00 21.96           C  
-ATOM    264  CG2 VAL A  87      -1.340 141.518  -5.225  1.00 19.81           C  
-ATOM    265  N   VAL A  88       1.014 143.298  -2.699  1.00 16.47           N  
-ATOM    266  CA  VAL A  88       2.473 143.369  -2.572  1.00 14.95           C  
-ATOM    267  C   VAL A  88       3.019 144.605  -3.291  1.00 16.01           C  
-ATOM    268  O   VAL A  88       4.057 144.584  -3.950  1.00 14.57           O  
-ATOM    269  CB  VAL A  88       3.176 142.043  -2.987  1.00 14.94           C  
-ATOM    270  CG1 VAL A  88       2.717 140.933  -2.041  1.00 12.74           C  
-ATOM    271  CG2 VAL A  88       2.879 141.663  -4.450  1.00 12.96           C  
-ATOM    272  N   GLN A  89       2.307 145.709  -3.089  1.00 16.95           N  
-ATOM    273  CA  GLN A  89       2.634 146.976  -3.704  1.00 18.49           C  
-ATOM    274  C   GLN A  89       3.762 147.688  -2.989  1.00 19.43           C  
-ATOM    275  O   GLN A  89       3.644 148.066  -1.815  1.00 18.47           O  
-ATOM    276  CB  GLN A  89       1.400 147.853  -3.734  1.00 21.73           C  
-ATOM    277  CG  GLN A  89       1.676 149.214  -4.277  1.00 28.13           C  
-ATOM    278  CD  GLN A  89       0.433 150.050  -4.333  1.00 33.41           C  
-ATOM    279  OE1 GLN A  89      -0.255 150.231  -3.325  1.00 34.81           O  
-ATOM    280  NE2 GLN A  89       0.117 150.551  -5.516  1.00 36.17           N  
-ATOM    281  N   ILE A  90       4.861 147.864  -3.710  1.00 19.03           N  
-ATOM    282  CA  ILE A  90       6.043 148.517  -3.167  1.00 19.39           C  
-ATOM    283  C   ILE A  90       5.902 150.024  -3.325  1.00 20.16           C  
-ATOM    284  O   ILE A  90       5.637 150.529  -4.418  1.00 18.91           O  
-ATOM    285  CB  ILE A  90       7.334 148.033  -3.886  1.00 19.22           C  
-ATOM    286  CG1 ILE A  90       7.420 146.501  -3.828  1.00 16.95           C  
-ATOM    287  CG2 ILE A  90       8.585 148.697  -3.260  1.00 17.78           C  
-ATOM    288  CD1 ILE A  90       8.424 145.922  -4.781  1.00 14.71           C  
-ATOM    289  N   ILE A  91       6.055 150.742  -2.224  1.00 21.61           N  
-ATOM    290  CA  ILE A  91       5.961 152.189  -2.260  1.00 23.93           C  
-ATOM    291  C   ILE A  91       7.335 152.692  -2.699  1.00 23.33           C  
-ATOM    292  O   ILE A  91       8.212 152.928  -1.872  1.00 25.74           O  
-ATOM    293  CB  ILE A  91       5.582 152.739  -0.872  1.00 25.48           C  
-ATOM    294  CG1 ILE A  91       4.293 152.057  -0.379  1.00 26.86           C  
-ATOM    295  CG2 ILE A  91       5.422 154.253  -0.936  1.00 26.66           C  
-ATOM    296  CD1 ILE A  91       3.143 152.070  -1.398  1.00 26.25           C  
-ATOM    297  N   TYR A  92       7.527 152.786  -4.011  1.00 22.68           N  
-ATOM    298  CA  TYR A  92       8.800 153.210  -4.592  1.00 21.47           C  
-ATOM    299  C   TYR A  92       9.163 154.660  -4.325  1.00 21.85           C  
-ATOM    300  O   TYR A  92       8.294 155.531  -4.255  1.00 21.99           O  
-ATOM    301  CB  TYR A  92       8.776 153.053  -6.115  1.00 20.58           C  
-ATOM    302  CG  TYR A  92       8.276 151.728  -6.614  1.00 19.74           C  
-ATOM    303  CD1 TYR A  92       7.033 151.627  -7.229  1.00 20.44           C  
-ATOM    304  CD2 TYR A  92       9.060 150.578  -6.510  1.00 20.15           C  
-ATOM    305  CE1 TYR A  92       6.574 150.412  -7.741  1.00 18.51           C  
-ATOM    306  CE2 TYR A  92       8.614 149.359  -7.017  1.00 17.73           C  
-ATOM    307  CZ  TYR A  92       7.370 149.285  -7.632  1.00 18.09           C  
-ATOM    308  OH  TYR A  92       6.903 148.088  -8.139  1.00 17.59           O  
-ATOM    309  N   SER A  93      10.463 154.916  -4.257  1.00 20.44           N  
-ATOM    310  CA  SER A  93      10.970 156.261  -4.091  1.00 20.37           C  
-ATOM    311  C   SER A  93      10.651 156.946  -5.420  1.00 20.68           C  
-ATOM    312  O   SER A  93      10.359 156.280  -6.431  1.00 20.32           O  
-ATOM    313  CB  SER A  93      12.482 156.227  -3.877  1.00 20.52           C  
-ATOM    314  OG  SER A  93      13.166 155.797  -5.048  1.00 20.70           O  
-ATOM    315  N   ASP A  94      10.712 158.271  -5.432  1.00 20.70           N  
-ATOM    316  CA  ASP A  94      10.427 159.021  -6.644  1.00 21.33           C  
-ATOM    317  C   ASP A  94      11.479 158.699  -7.725  1.00 19.25           C  
-ATOM    318  O   ASP A  94      11.138 158.484  -8.888  1.00 18.58           O  
-ATOM    319  CB  ASP A  94      10.405 160.517  -6.312  1.00 24.16           C  
-ATOM    320  CG  ASP A  94       9.807 161.365  -7.428  1.00 29.57           C  
-ATOM    321  OD1 ASP A  94       8.968 160.857  -8.203  1.00 30.37           O  
-ATOM    322  OD2 ASP A  94      10.171 162.561  -7.525  1.00 32.47           O  
-ATOM    323  N   LYS A  95      12.742 158.606  -7.320  1.00 18.72           N  
-ATOM    324  CA  LYS A  95      13.826 158.305  -8.246  1.00 19.82           C  
-ATOM    325  C   LYS A  95      13.686 156.920  -8.884  1.00 18.95           C  
-ATOM    326  O   LYS A  95      13.922 156.744 -10.076  1.00 17.50           O  
-ATOM    327  CB  LYS A  95      15.175 158.418  -7.533  1.00 21.93           C  
-ATOM    328  CG  LYS A  95      15.727 159.836  -7.540  1.00 27.38           C  
-ATOM    329  CD  LYS A  95      16.684 160.115  -6.397  1.00 28.03           C  
-ATOM    330  CE  LYS A  95      17.981 159.390  -6.549  1.00 30.05           C  
-ATOM    331  NZ  LYS A  95      18.895 159.807  -5.451  1.00 31.00           N  
-ATOM    332  N   PHE A  96      13.285 155.945  -8.080  1.00 19.05           N  
-ATOM    333  CA  PHE A  96      13.116 154.579  -8.559  1.00 18.68           C  
-ATOM    334  C   PHE A  96      12.017 154.525  -9.611  1.00 19.26           C  
-ATOM    335  O   PHE A  96      12.232 154.044 -10.724  1.00 19.69           O  
-ATOM    336  CB  PHE A  96      12.773 153.649  -7.387  1.00 18.19           C  
-ATOM    337  CG  PHE A  96      12.782 152.183  -7.742  1.00 17.72           C  
-ATOM    338  CD1 PHE A  96      13.842 151.373  -7.360  1.00 17.11           C  
-ATOM    339  CD2 PHE A  96      11.719 151.613  -8.442  1.00 19.30           C  
-ATOM    340  CE1 PHE A  96      13.850 150.025  -7.664  1.00 16.58           C  
-ATOM    341  CE2 PHE A  96      11.717 150.257  -8.754  1.00 17.35           C  
-ATOM    342  CZ  PHE A  96      12.784 149.467  -8.363  1.00 18.10           C  
-ATOM    343  N   ARG A  97      10.837 155.027  -9.266  1.00 18.51           N  
-ATOM    344  CA  ARG A  97       9.725 154.999 -10.194  1.00 18.70           C  
-ATOM    345  C   ARG A  97      10.019 155.766 -11.473  1.00 17.73           C  
-ATOM    346  O   ARG A  97       9.646 155.339 -12.566  1.00 18.10           O  
-ATOM    347  CB  ARG A  97       8.474 155.552  -9.530  1.00 20.84           C  
-ATOM    348  CG  ARG A  97       7.263 155.493 -10.426  1.00 25.54           C  
-ATOM    349  CD  ARG A  97       6.087 156.189  -9.795  1.00 32.64           C  
-ATOM    350  NE  ARG A  97       5.763 155.597  -8.504  1.00 38.17           N  
-ATOM    351  CZ  ARG A  97       5.920 156.217  -7.336  1.00 42.71           C  
-ATOM    352  NH1 ARG A  97       6.402 157.462  -7.301  1.00 43.13           N  
-ATOM    353  NH2 ARG A  97       5.609 155.587  -6.202  1.00 42.49           N  
-ATOM    354  N   ASP A  98      10.687 156.903 -11.335  1.00 17.67           N  
-ATOM    355  CA  ASP A  98      11.022 157.716 -12.494  1.00 16.90           C  
-ATOM    356  C   ASP A  98      11.876 156.923 -13.495  1.00 16.90           C  
-ATOM    357  O   ASP A  98      11.556 156.866 -14.683  1.00 18.13           O  
-ATOM    358  CB  ASP A  98      11.721 159.002 -12.043  1.00 17.14           C  
-ATOM    359  CG  ASP A  98      12.312 159.777 -13.199  1.00 17.38           C  
-ATOM    360  OD1 ASP A  98      11.557 160.435 -13.942  1.00 17.78           O  
-ATOM    361  OD2 ASP A  98      13.546 159.707 -13.362  1.00 18.39           O  
-ATOM    362  N   VAL A  99      12.946 156.295 -13.021  1.00 16.34           N  
-ATOM    363  CA  VAL A  99      13.797 155.507 -13.903  1.00 15.89           C  
-ATOM    364  C   VAL A  99      13.003 154.368 -14.552  1.00 15.80           C  
-ATOM    365  O   VAL A  99      13.078 154.166 -15.764  1.00 14.89           O  
-ATOM    366  CB  VAL A  99      14.999 154.904 -13.138  1.00 16.60           C  
-ATOM    367  CG1 VAL A  99      15.612 153.751 -13.937  1.00 16.64           C  
-ATOM    368  CG2 VAL A  99      16.059 155.975 -12.889  1.00 16.96           C  
-ATOM    369  N   TYR A 100      12.227 153.636 -13.753  1.00 15.98           N  
-ATOM    370  CA  TYR A 100      11.459 152.511 -14.288  1.00 16.25           C  
-ATOM    371  C   TYR A 100      10.310 152.876 -15.229  1.00 17.13           C  
-ATOM    372  O   TYR A 100       9.981 152.106 -16.149  1.00 16.66           O  
-ATOM    373  CB  TYR A 100      11.061 151.530 -13.175  1.00 14.51           C  
-ATOM    374  CG  TYR A 100      12.204 150.590 -12.867  1.00 15.31           C  
-ATOM    375  CD1 TYR A 100      13.170 150.912 -11.906  1.00 13.81           C  
-ATOM    376  CD2 TYR A 100      12.386 149.419 -13.618  1.00 14.23           C  
-ATOM    377  CE1 TYR A 100      14.302 150.094 -11.707  1.00 15.20           C  
-ATOM    378  CE2 TYR A 100      13.508 148.600 -13.428  1.00 14.35           C  
-ATOM    379  CZ  TYR A 100      14.463 148.941 -12.476  1.00 13.98           C  
-ATOM    380  OH  TYR A 100      15.579 148.132 -12.316  1.00 13.95           O  
-ATOM    381  N   ASP A 101       9.742 154.071 -15.054  1.00 17.11           N  
-ATOM    382  CA  ASP A 101       8.684 154.526 -15.954  1.00 16.50           C  
-ATOM    383  C   ASP A 101       9.290 154.746 -17.353  1.00 15.59           C  
-ATOM    384  O   ASP A 101       8.660 154.456 -18.376  1.00 16.13           O  
-ATOM    385  CB  ASP A 101       8.049 155.818 -15.437  1.00 17.41           C  
-ATOM    386  CG  ASP A 101       6.990 155.571 -14.376  1.00 20.62           C  
-ATOM    387  OD1 ASP A 101       6.447 156.566 -13.862  1.00 20.50           O  
-ATOM    388  OD2 ASP A 101       6.681 154.406 -14.053  1.00 19.74           O  
-ATOM    389  N   TYR A 102      10.521 155.251 -17.393  1.00 16.56           N  
-ATOM    390  CA  TYR A 102      11.206 155.475 -18.662  1.00 17.02           C  
-ATOM    391  C   TYR A 102      11.787 154.181 -19.214  1.00 18.31           C  
-ATOM    392  O   TYR A 102      11.814 153.980 -20.432  1.00 19.26           O  
-ATOM    393  CB  TYR A 102      12.259 156.575 -18.534  1.00 17.67           C  
-ATOM    394  CG  TYR A 102      11.613 157.946 -18.604  1.00 18.49           C  
-ATOM    395  CD1 TYR A 102      11.090 158.555 -17.461  1.00 18.05           C  
-ATOM    396  CD2 TYR A 102      11.441 158.594 -19.835  1.00 19.86           C  
-ATOM    397  CE1 TYR A 102      10.403 159.775 -17.539  1.00 17.97           C  
-ATOM    398  CE2 TYR A 102      10.758 159.809 -19.925  1.00 19.44           C  
-ATOM    399  CZ  TYR A 102      10.240 160.390 -18.775  1.00 18.89           C  
-ATOM    400  OH  TYR A 102       9.524 161.567 -18.862  1.00 19.39           O  
-ATOM    401  N   PHE A 103      12.227 153.283 -18.334  1.00 17.67           N  
-ATOM    402  CA  PHE A 103      12.739 152.006 -18.819  1.00 16.54           C  
-ATOM    403  C   PHE A 103      11.580 151.271 -19.491  1.00 15.54           C  
-ATOM    404  O   PHE A 103      11.736 150.711 -20.574  1.00 16.46           O  
-ATOM    405  CB  PHE A 103      13.314 151.146 -17.695  1.00 16.91           C  
-ATOM    406  CG  PHE A 103      13.645 149.748 -18.141  1.00 17.69           C  
-ATOM    407  CD1 PHE A 103      14.748 149.509 -18.955  1.00 18.06           C  
-ATOM    408  CD2 PHE A 103      12.803 148.679 -17.816  1.00 17.49           C  
-ATOM    409  CE1 PHE A 103      15.006 148.222 -19.449  1.00 18.88           C  
-ATOM    410  CE2 PHE A 103      13.054 147.389 -18.305  1.00 17.29           C  
-ATOM    411  CZ  PHE A 103      14.152 147.161 -19.123  1.00 17.07           C  
-ATOM    412  N   ARG A 104      10.411 151.295 -18.863  1.00 15.37           N  
-ATOM    413  CA  ARG A 104       9.246 150.645 -19.436  1.00 15.99           C  
-ATOM    414  C   ARG A 104       8.931 151.239 -20.806  1.00 17.98           C  
-ATOM    415  O   ARG A 104       8.539 150.519 -21.720  1.00 18.73           O  
-ATOM    416  CB  ARG A 104       8.040 150.772 -18.507  1.00 16.05           C  
-ATOM    417  CG  ARG A 104       8.040 149.747 -17.374  1.00 17.46           C  
-ATOM    418  CD  ARG A 104       6.780 149.820 -16.509  1.00 16.71           C  
-ATOM    419  NE  ARG A 104       6.879 150.890 -15.522  1.00 16.42           N  
-ATOM    420  CZ  ARG A 104       7.514 150.774 -14.359  1.00 19.11           C  
-ATOM    421  NH1 ARG A 104       8.105 149.624 -14.035  1.00 18.51           N  
-ATOM    422  NH2 ARG A 104       7.577 151.811 -13.526  1.00 16.55           N  
-ATOM    423  N   ALA A 105       9.146 152.543 -20.966  1.00 18.30           N  
-ATOM    424  CA  ALA A 105       8.883 153.206 -22.248  1.00 18.64           C  
-ATOM    425  C   ALA A 105       9.847 152.758 -23.343  1.00 18.27           C  
-ATOM    426  O   ALA A 105       9.413 152.442 -24.451  1.00 18.75           O  
-ATOM    427  CB  ALA A 105       8.932 154.733 -22.097  1.00 18.70           C  
-ATOM    428  N   VAL A 106      11.148 152.729 -23.053  1.00 19.47           N  
-ATOM    429  CA  VAL A 106      12.116 152.303 -24.070  1.00 20.43           C  
-ATOM    430  C   VAL A 106      11.966 150.817 -24.375  1.00 21.35           C  
-ATOM    431  O   VAL A 106      12.108 150.404 -25.524  1.00 21.28           O  
-ATOM    432  CB  VAL A 106      13.594 152.640 -23.701  1.00 21.58           C  
-ATOM    433  CG1 VAL A 106      13.788 154.156 -23.614  1.00 20.35           C  
-ATOM    434  CG2 VAL A 106      14.012 151.962 -22.404  1.00 22.20           C  
-ATOM    435  N   LEU A 107      11.626 150.024 -23.359  1.00 22.02           N  
-ATOM    436  CA  LEU A 107      11.444 148.592 -23.558  1.00 23.70           C  
-ATOM    437  C   LEU A 107      10.257 148.369 -24.477  1.00 24.60           C  
-ATOM    438  O   LEU A 107      10.340 147.614 -25.442  1.00 25.05           O  
-ATOM    439  CB  LEU A 107      11.197 147.863 -22.229  1.00 22.70           C  
-ATOM    440  CG  LEU A 107      11.131 146.335 -22.364  1.00 22.16           C  
-ATOM    441  CD1 LEU A 107      12.516 145.824 -22.735  1.00 23.42           C  
-ATOM    442  CD2 LEU A 107      10.648 145.685 -21.067  1.00 21.40           C  
-ATOM    443  N   GLN A 108       9.169 149.072 -24.196  1.00 26.14           N  
-ATOM    444  CA  GLN A 108       7.953 148.947 -24.980  1.00 29.41           C  
-ATOM    445  C   GLN A 108       8.147 149.354 -26.442  1.00 29.99           C  
-ATOM    446  O   GLN A 108       7.543 148.766 -27.335  1.00 30.89           O  
-ATOM    447  CB  GLN A 108       6.837 149.760 -24.331  1.00 31.54           C  
-ATOM    448  CG  GLN A 108       5.501 149.638 -25.024  1.00 38.04           C  
-ATOM    449  CD  GLN A 108       4.440 150.492 -24.364  1.00 41.58           C  
-ATOM    450  OE1 GLN A 108       3.701 150.023 -23.490  1.00 43.30           O  
-ATOM    451  NE2 GLN A 108       4.373 151.762 -24.757  1.00 42.87           N  
-ATOM    452  N   ARG A 109       8.961 150.376 -26.682  1.00 30.87           N  
-ATOM    453  CA  ARG A 109       9.237 150.838 -28.042  1.00 32.26           C  
-ATOM    454  C   ARG A 109      10.429 150.104 -28.641  1.00 30.94           C  
-ATOM    455  O   ARG A 109      10.772 150.340 -29.793  1.00 30.98           O  
-ATOM    456  CB  ARG A 109       9.558 152.332 -28.041  1.00 34.86           C  
-ATOM    457  CG  ARG A 109       8.374 153.201 -27.740  1.00 43.62           C  
-ATOM    458  CD  ARG A 109       8.801 154.523 -27.121  1.00 49.18           C  
-ATOM    459  NE  ARG A 109       8.753 155.656 -28.045  1.00 54.81           N  
-ATOM    460  CZ  ARG A 109       9.752 156.021 -28.848  1.00 57.99           C  
-ATOM    461  NH1 ARG A 109      10.895 155.338 -28.870  1.00 59.10           N  
-ATOM    462  NH2 ARG A 109       9.634 157.119 -29.582  1.00 60.21           N  
-ATOM    463  N   ASP A 110      11.084 149.257 -27.847  1.00 28.51           N  
-ATOM    464  CA  ASP A 110      12.270 148.525 -28.284  1.00 27.38           C  
-ATOM    465  C   ASP A 110      13.285 149.512 -28.874  1.00 27.80           C  
-ATOM    466  O   ASP A 110      13.865 149.283 -29.948  1.00 26.77           O  
-ATOM    467  CB  ASP A 110      11.912 147.436 -29.298  1.00 28.14           C  
-ATOM    468  CG  ASP A 110      13.071 146.470 -29.564  1.00 31.05           C  
-ATOM    469  OD1 ASP A 110      13.936 146.276 -28.677  1.00 30.52           O  
-ATOM    470  OD2 ASP A 110      13.112 145.891 -30.669  1.00 32.89           O  
-ATOM    471  N   GLU A 111      13.493 150.616 -28.160  1.00 25.65           N  
-ATOM    472  CA  GLU A 111      14.423 151.635 -28.602  1.00 24.56           C  
-ATOM    473  C   GLU A 111      15.870 151.248 -28.323  1.00 25.33           C  
-ATOM    474  O   GLU A 111      16.312 151.235 -27.178  1.00 24.93           O  
-ATOM    475  CB  GLU A 111      14.102 152.960 -27.932  1.00 24.12           C  
-ATOM    476  CG  GLU A 111      14.911 154.119 -28.468  1.00 23.54           C  
-ATOM    477  CD  GLU A 111      14.671 155.384 -27.685  1.00 23.37           C  
-ATOM    478  OE1 GLU A 111      15.582 155.784 -26.948  1.00 23.35           O  
-ATOM    479  OE2 GLU A 111      13.571 155.969 -27.790  1.00 24.69           O  
-ATOM    480  N   ARG A 112      16.611 150.959 -29.383  1.00 25.42           N  
-ATOM    481  CA  ARG A 112      18.008 150.572 -29.275  1.00 26.72           C  
-ATOM    482  C   ARG A 112      18.861 151.827 -29.397  1.00 27.16           C  
-ATOM    483  O   ARG A 112      19.524 152.031 -30.409  1.00 29.92           O  
-ATOM    484  CB  ARG A 112      18.376 149.625 -30.416  1.00 27.66           C  
-ATOM    485  CG  ARG A 112      17.347 148.571 -30.712  1.00 30.25           C  
-ATOM    486  CD  ARG A 112      17.340 147.494 -29.666  1.00 31.05           C  
-ATOM    487  NE  ARG A 112      16.440 146.416 -30.055  1.00 33.23           N  
-ATOM    488  CZ  ARG A 112      16.785 145.383 -30.816  1.00 33.26           C  
-ATOM    489  NH1 ARG A 112      18.021 145.271 -31.281  1.00 35.27           N  
-ATOM    490  NH2 ARG A 112      15.890 144.450 -31.096  1.00 33.93           N  
-ATOM    491  N   SER A 113      18.874 152.657 -28.367  1.00 25.78           N  
-ATOM    492  CA  SER A 113      19.633 153.890 -28.427  1.00 24.00           C  
-ATOM    493  C   SER A 113      20.679 154.017 -27.344  1.00 24.00           C  
-ATOM    494  O   SER A 113      20.656 153.299 -26.343  1.00 24.28           O  
-ATOM    495  CB  SER A 113      18.672 155.070 -28.299  1.00 25.08           C  
-ATOM    496  OG  SER A 113      18.019 155.030 -27.038  1.00 23.85           O  
-ATOM    497  N   GLU A 114      21.567 154.983 -27.519  1.00 21.33           N  
-ATOM    498  CA  GLU A 114      22.583 155.241 -26.535  1.00 20.73           C  
-ATOM    499  C   GLU A 114      21.908 155.744 -25.254  1.00 20.27           C  
-ATOM    500  O   GLU A 114      22.343 155.405 -24.143  1.00 19.31           O  
-ATOM    501  CB  GLU A 114      23.573 156.280 -27.067  1.00 23.53           C  
-ATOM    502  CG  GLU A 114      24.636 156.721 -26.057  1.00 25.62           C  
-ATOM    503  CD  GLU A 114      25.566 155.599 -25.614  1.00 27.62           C  
-ATOM    504  OE1 GLU A 114      25.817 154.667 -26.407  1.00 28.78           O  
-ATOM    505  OE2 GLU A 114      26.059 155.654 -24.467  1.00 29.04           O  
-ATOM    506  N   ARG A 115      20.830 156.524 -25.390  1.00 19.10           N  
-ATOM    507  CA  ARG A 115      20.165 157.034 -24.191  1.00 19.05           C  
-ATOM    508  C   ARG A 115      19.529 155.894 -23.407  1.00 17.81           C  
-ATOM    509  O   ARG A 115      19.585 155.871 -22.175  1.00 18.15           O  
-ATOM    510  CB  ARG A 115      19.142 158.138 -24.504  1.00 18.28           C  
-ATOM    511  CG  ARG A 115      17.895 157.710 -25.244  1.00 19.89           C  
-ATOM    512  CD  ARG A 115      16.893 158.863 -25.358  1.00 20.46           C  
-ATOM    513  NE  ARG A 115      15.667 158.453 -26.047  1.00 21.90           N  
-ATOM    514  CZ  ARG A 115      14.660 159.269 -26.361  1.00 23.28           C  
-ATOM    515  NH1 ARG A 115      14.716 160.555 -26.047  1.00 21.78           N  
-ATOM    516  NH2 ARG A 115      13.598 158.801 -27.004  1.00 22.31           N  
-ATOM    517  N   ALA A 116      18.958 154.936 -24.125  1.00 17.65           N  
-ATOM    518  CA  ALA A 116      18.339 153.780 -23.482  1.00 19.07           C  
-ATOM    519  C   ALA A 116      19.440 152.957 -22.780  1.00 19.04           C  
-ATOM    520  O   ALA A 116      19.252 152.469 -21.652  1.00 18.27           O  
-ATOM    521  CB  ALA A 116      17.589 152.937 -24.509  1.00 16.61           C  
-ATOM    522  N   PHE A 117      20.605 152.866 -23.421  1.00 18.59           N  
-ATOM    523  CA  PHE A 117      21.742 152.138 -22.863  1.00 18.30           C  
-ATOM    524  C   PHE A 117      22.180 152.755 -21.531  1.00 19.91           C  
-ATOM    525  O   PHE A 117      22.366 152.040 -20.540  1.00 18.93           O  
-ATOM    526  CB  PHE A 117      22.915 152.116 -23.853  1.00 16.50           C  
-ATOM    527  CG  PHE A 117      24.115 151.369 -23.344  1.00 17.43           C  
-ATOM    528  CD1 PHE A 117      24.064 149.990 -23.159  1.00 17.59           C  
-ATOM    529  CD2 PHE A 117      25.288 152.044 -23.028  1.00 16.91           C  
-ATOM    530  CE1 PHE A 117      25.165 149.299 -22.667  1.00 17.48           C  
-ATOM    531  CE2 PHE A 117      26.390 151.362 -22.535  1.00 15.77           C  
-ATOM    532  CZ  PHE A 117      26.330 149.986 -22.354  1.00 16.95           C  
-ATOM    533  N   LYS A 118      22.337 154.080 -21.493  1.00 19.30           N  
-ATOM    534  CA  LYS A 118      22.738 154.737 -20.249  1.00 19.67           C  
-ATOM    535  C   LYS A 118      21.668 154.577 -19.171  1.00 17.24           C  
-ATOM    536  O   LYS A 118      21.991 154.444 -17.991  1.00 16.57           O  
-ATOM    537  CB  LYS A 118      23.017 156.215 -20.477  1.00 21.63           C  
-ATOM    538  CG  LYS A 118      24.271 156.497 -21.279  1.00 27.14           C  
-ATOM    539  CD  LYS A 118      24.714 157.943 -21.050  1.00 33.46           C  
-ATOM    540  CE  LYS A 118      26.017 158.280 -21.762  1.00 38.07           C  
-ATOM    541  NZ  LYS A 118      25.804 158.524 -23.219  1.00 42.12           N  
-ATOM    542  N   LEU A 119      20.401 154.592 -19.583  1.00 16.48           N  
-ATOM    543  CA  LEU A 119      19.282 154.437 -18.659  1.00 16.57           C  
-ATOM    544  C   LEU A 119      19.344 153.084 -17.943  1.00 17.43           C  
-ATOM    545  O   LEU A 119      19.077 153.012 -16.738  1.00 16.92           O  
-ATOM    546  CB  LEU A 119      17.944 154.577 -19.394  1.00 18.08           C  
-ATOM    547  CG  LEU A 119      16.633 154.230 -18.669  1.00 20.30           C  
-ATOM    548  CD1 LEU A 119      16.440 155.093 -17.453  1.00 20.07           C  
-ATOM    549  CD2 LEU A 119      15.458 154.424 -19.620  1.00 23.14           C  
-ATOM    550  N   THR A 120      19.697 152.017 -18.662  1.00 16.78           N  
-ATOM    551  CA  THR A 120      19.780 150.698 -18.024  1.00 16.29           C  
-ATOM    552  C   THR A 120      20.778 150.704 -16.868  1.00 16.97           C  
-ATOM    553  O   THR A 120      20.574 150.019 -15.859  1.00 16.56           O  
-ATOM    554  CB  THR A 120      20.146 149.560 -19.012  1.00 14.95           C  
-ATOM    555  OG1 THR A 120      21.474 149.747 -19.522  1.00 15.40           O  
-ATOM    556  CG2 THR A 120      19.132 149.488 -20.147  1.00 14.11           C  
-ATOM    557  N   ARG A 121      21.821 151.524 -16.970  1.00 16.07           N  
-ATOM    558  CA  ARG A 121      22.797 151.586 -15.895  1.00 17.22           C  
-ATOM    559  C   ARG A 121      22.134 152.094 -14.615  1.00 16.92           C  
-ATOM    560  O   ARG A 121      22.445 151.641 -13.514  1.00 16.45           O  
-ATOM    561  CB  ARG A 121      23.970 152.486 -16.267  1.00 19.79           C  
-ATOM    562  CG  ARG A 121      24.939 152.645 -15.126  1.00 24.97           C  
-ATOM    563  CD  ARG A 121      25.890 153.779 -15.355  1.00 30.62           C  
-ATOM    564  NE  ARG A 121      27.044 153.339 -16.118  1.00 36.38           N  
-ATOM    565  CZ  ARG A 121      28.261 153.192 -15.605  1.00 37.03           C  
-ATOM    566  NH1 ARG A 121      28.481 153.456 -14.321  1.00 37.00           N  
-ATOM    567  NH2 ARG A 121      29.250 152.756 -16.373  1.00 36.57           N  
-ATOM    568  N   ASP A 122      21.221 153.046 -14.755  1.00 17.26           N  
-ATOM    569  CA  ASP A 122      20.520 153.585 -13.589  1.00 17.72           C  
-ATOM    570  C   ASP A 122      19.498 152.585 -13.056  1.00 15.26           C  
-ATOM    571  O   ASP A 122      19.300 152.472 -11.845  1.00 15.98           O  
-ATOM    572  CB  ASP A 122      19.822 154.908 -13.937  1.00 17.97           C  
-ATOM    573  CG  ASP A 122      20.794 156.052 -14.096  1.00 18.28           C  
-ATOM    574  OD1 ASP A 122      21.922 155.979 -13.567  1.00 18.41           O  
-ATOM    575  OD2 ASP A 122      20.416 157.030 -14.751  1.00 18.85           O  
-ATOM    576  N   ALA A 123      18.822 151.894 -13.964  1.00 14.31           N  
-ATOM    577  CA  ALA A 123      17.832 150.901 -13.572  1.00 14.22           C  
-ATOM    578  C   ALA A 123      18.525 149.810 -12.764  1.00 15.27           C  
-ATOM    579  O   ALA A 123      18.008 149.358 -11.733  1.00 15.78           O  
-ATOM    580  CB  ALA A 123      17.161 150.316 -14.803  1.00 14.46           C  
-ATOM    581  N   ILE A 124      19.712 149.420 -13.218  1.00 14.89           N  
-ATOM    582  CA  ILE A 124      20.505 148.395 -12.548  1.00 14.83           C  
-ATOM    583  C   ILE A 124      20.953 148.846 -11.152  1.00 17.59           C  
-ATOM    584  O   ILE A 124      20.913 148.060 -10.201  1.00 17.71           O  
-ATOM    585  CB  ILE A 124      21.720 147.981 -13.428  1.00 14.37           C  
-ATOM    586  CG1 ILE A 124      21.226 147.153 -14.618  1.00 13.33           C  
-ATOM    587  CG2 ILE A 124      22.782 147.234 -12.610  1.00 13.04           C  
-ATOM    588  CD1 ILE A 124      22.217 147.064 -15.768  1.00 14.77           C  
-ATOM    589  N   GLU A 125      21.370 150.102 -11.008  1.00 17.80           N  
-ATOM    590  CA  GLU A 125      21.790 150.572  -9.694  1.00 18.96           C  
-ATOM    591  C   GLU A 125      20.618 150.499  -8.724  1.00 17.88           C  
-ATOM    592  O   GLU A 125      20.799 150.163  -7.551  1.00 19.09           O  
-ATOM    593  CB  GLU A 125      22.350 152.002  -9.743  1.00 21.50           C  
-ATOM    594  CG  GLU A 125      22.871 152.455  -8.372  1.00 29.51           C  
-ATOM    595  CD  GLU A 125      23.545 153.826  -8.362  1.00 35.80           C  
-ATOM    596  OE1 GLU A 125      23.823 154.397  -9.440  1.00 39.30           O  
-ATOM    597  OE2 GLU A 125      23.809 154.336  -7.252  1.00 38.86           O  
-ATOM    598  N   LEU A 126      19.419 150.791  -9.229  1.00 17.37           N  
-ATOM    599  CA  LEU A 126      18.187 150.772  -8.437  1.00 16.60           C  
-ATOM    600  C   LEU A 126      17.775 149.364  -8.045  1.00 16.68           C  
-ATOM    601  O   LEU A 126      17.247 149.155  -6.958  1.00 16.08           O  
-ATOM    602  CB  LEU A 126      17.052 151.454  -9.196  1.00 16.63           C  
-ATOM    603  CG  LEU A 126      17.225 152.976  -9.285  1.00 16.59           C  
-ATOM    604  CD1 LEU A 126      16.247 153.556 -10.281  1.00 16.55           C  
-ATOM    605  CD2 LEU A 126      17.028 153.605  -7.904  1.00 17.09           C  
-ATOM    606  N   ASN A 127      17.980 148.408  -8.944  1.00 14.82           N  
-ATOM    607  CA  ASN A 127      17.662 147.012  -8.658  1.00 14.31           C  
-ATOM    608  C   ASN A 127      18.511 146.121  -9.560  1.00 14.38           C  
-ATOM    609  O   ASN A 127      18.107 145.783 -10.674  1.00 15.02           O  
-ATOM    610  CB  ASN A 127      16.167 146.710  -8.862  1.00 12.89           C  
-ATOM    611  CG  ASN A 127      15.827 145.255  -8.558  1.00 13.27           C  
-ATOM    612  OD1 ASN A 127      16.647 144.526  -8.000  1.00 14.29           O  
-ATOM    613  ND2 ASN A 127      14.640 144.820  -8.949  1.00 13.53           N  
-ATOM    614  N   ALA A 128      19.672 145.714  -9.065  1.00 13.16           N  
-ATOM    615  CA  ALA A 128      20.572 144.886  -9.849  1.00 13.93           C  
-ATOM    616  C   ALA A 128      20.033 143.485 -10.116  1.00 14.82           C  
-ATOM    617  O   ALA A 128      20.623 142.740 -10.897  1.00 15.95           O  
-ATOM    618  CB  ALA A 128      21.942 144.819  -9.190  1.00 14.12           C  
-ATOM    619  N   ALA A 129      18.933 143.114  -9.457  1.00 14.21           N  
-ATOM    620  CA  ALA A 129      18.333 141.793  -9.659  1.00 13.76           C  
-ATOM    621  C   ALA A 129      17.269 141.820 -10.754  1.00 14.60           C  
-ATOM    622  O   ALA A 129      16.606 140.812 -11.001  1.00 14.44           O  
-ATOM    623  CB  ALA A 129      17.725 141.264  -8.358  1.00 11.31           C  
-ATOM    624  N   ASN A 130      17.050 142.977 -11.376  1.00 14.81           N  
-ATOM    625  CA  ASN A 130      16.043 143.048 -12.434  1.00 14.00           C  
-ATOM    626  C   ASN A 130      16.645 142.463 -13.706  1.00 14.95           C  
-ATOM    627  O   ASN A 130      17.372 143.142 -14.441  1.00 13.47           O  
-ATOM    628  CB  ASN A 130      15.555 144.479 -12.680  1.00 13.62           C  
-ATOM    629  CG  ASN A 130      14.371 144.511 -13.616  1.00 12.03           C  
-ATOM    630  OD1 ASN A 130      14.386 143.855 -14.665  1.00 12.58           O  
-ATOM    631  ND2 ASN A 130      13.304 145.184 -13.208  1.00 12.58           N  
-ATOM    632  N   TYR A 131      16.344 141.191 -13.946  1.00 13.37           N  
-ATOM    633  CA  TYR A 131      16.854 140.461 -15.100  1.00 12.55           C  
-ATOM    634  C   TYR A 131      16.370 140.987 -16.457  1.00 12.44           C  
-ATOM    635  O   TYR A 131      17.036 140.772 -17.481  1.00 11.95           O  
-ATOM    636  CB  TYR A 131      16.524 138.969 -14.949  1.00 11.67           C  
-ATOM    637  CG  TYR A 131      15.052 138.690 -14.811  1.00 11.58           C  
-ATOM    638  CD1 TYR A 131      14.264 138.480 -15.935  1.00  9.83           C  
-ATOM    639  CD2 TYR A 131      14.431 138.724 -13.555  1.00 11.37           C  
-ATOM    640  CE1 TYR A 131      12.912 138.331 -15.824  1.00  9.71           C  
-ATOM    641  CE2 TYR A 131      13.057 138.573 -13.436  1.00  9.28           C  
-ATOM    642  CZ  TYR A 131      12.310 138.384 -14.572  1.00  8.96           C  
-ATOM    643  OH  TYR A 131      10.952 138.262 -14.467  1.00 10.15           O  
-ATOM    644  N   THR A 132      15.203 141.627 -16.476  1.00 12.03           N  
-ATOM    645  CA  THR A 132      14.669 142.185 -17.711  1.00 12.68           C  
-ATOM    646  C   THR A 132      15.581 143.333 -18.171  1.00 14.12           C  
-ATOM    647  O   THR A 132      15.926 143.424 -19.356  1.00 14.40           O  
-ATOM    648  CB  THR A 132      13.238 142.676 -17.507  1.00 13.06           C  
-ATOM    649  OG1 THR A 132      12.407 141.552 -17.201  1.00 13.66           O  
-ATOM    650  CG2 THR A 132      12.704 143.375 -18.760  1.00 12.33           C  
-ATOM    651  N   VAL A 133      16.026 144.160 -17.225  1.00 12.67           N  
-ATOM    652  CA  VAL A 133      16.911 145.274 -17.544  1.00 12.34           C  
-ATOM    653  C   VAL A 133      18.241 144.736 -18.080  1.00 13.93           C  
-ATOM    654  O   VAL A 133      18.734 145.191 -19.120  1.00 13.88           O  
-ATOM    655  CB  VAL A 133      17.152 146.184 -16.309  1.00 11.98           C  
-ATOM    656  CG1 VAL A 133      18.155 147.278 -16.637  1.00 12.17           C  
-ATOM    657  CG2 VAL A 133      15.842 146.805 -15.849  1.00 10.69           C  
-ATOM    658  N   TRP A 134      18.830 143.776 -17.370  1.00 14.06           N  
-ATOM    659  CA  TRP A 134      20.093 143.180 -17.798  1.00 14.04           C  
-ATOM    660  C   TRP A 134      20.008 142.609 -19.211  1.00 15.26           C  
-ATOM    661  O   TRP A 134      20.931 142.772 -20.014  1.00 15.55           O  
-ATOM    662  CB  TRP A 134      20.517 142.075 -16.824  1.00 13.30           C  
-ATOM    663  CG  TRP A 134      21.164 142.603 -15.585  1.00 12.96           C  
-ATOM    664  CD1 TRP A 134      20.644 142.602 -14.316  1.00 13.78           C  
-ATOM    665  CD2 TRP A 134      22.461 143.193 -15.488  1.00 13.04           C  
-ATOM    666  NE1 TRP A 134      21.545 143.143 -13.438  1.00 13.01           N  
-ATOM    667  CE2 TRP A 134      22.670 143.519 -14.129  1.00 13.05           C  
-ATOM    668  CE3 TRP A 134      23.470 143.483 -16.417  1.00 13.27           C  
-ATOM    669  CZ2 TRP A 134      23.850 144.122 -13.674  1.00 13.12           C  
-ATOM    670  CZ3 TRP A 134      24.639 144.080 -15.965  1.00 12.92           C  
-ATOM    671  CH2 TRP A 134      24.818 144.394 -14.603  1.00 14.27           C  
-ATOM    672  N   HIS A 135      18.911 141.913 -19.504  1.00 15.93           N  
-ATOM    673  CA  HIS A 135      18.722 141.324 -20.827  1.00 17.28           C  
-ATOM    674  C   HIS A 135      18.668 142.425 -21.887  1.00 17.73           C  
-ATOM    675  O   HIS A 135      19.344 142.352 -22.920  1.00 16.84           O  
-ATOM    676  CB  HIS A 135      17.445 140.491 -20.875  1.00 19.16           C  
-ATOM    677  CG  HIS A 135      17.123 139.983 -22.244  1.00 23.57           C  
-ATOM    678  ND1 HIS A 135      17.686 138.838 -22.763  1.00 28.09           N  
-ATOM    679  CD2 HIS A 135      16.350 140.501 -23.228  1.00 25.19           C  
-ATOM    680  CE1 HIS A 135      17.275 138.672 -24.008  1.00 27.66           C  
-ATOM    681  NE2 HIS A 135      16.465 139.669 -24.314  1.00 27.63           N  
-ATOM    682  N   PHE A 136      17.866 143.451 -21.623  1.00 16.25           N  
-ATOM    683  CA  PHE A 136      17.752 144.560 -22.553  1.00 16.41           C  
-ATOM    684  C   PHE A 136      19.116 145.229 -22.737  1.00 15.75           C  
-ATOM    685  O   PHE A 136      19.477 145.588 -23.855  1.00 16.15           O  
-ATOM    686  CB  PHE A 136      16.725 145.581 -22.067  1.00 16.44           C  
-ATOM    687  CG  PHE A 136      16.355 146.590 -23.107  1.00 19.41           C  
-ATOM    688  CD1 PHE A 136      15.758 146.181 -24.303  1.00 22.05           C  
-ATOM    689  CD2 PHE A 136      16.611 147.936 -22.908  1.00 20.33           C  
-ATOM    690  CE1 PHE A 136      15.421 147.106 -25.290  1.00 24.04           C  
-ATOM    691  CE2 PHE A 136      16.279 148.877 -23.890  1.00 21.97           C  
-ATOM    692  CZ  PHE A 136      15.684 148.461 -25.080  1.00 22.10           C  
-ATOM    693  N   ARG A 137      19.881 145.373 -21.655  1.00 14.50           N  
-ATOM    694  CA  ARG A 137      21.201 145.984 -21.741  1.00 14.62           C  
-ATOM    695  C   ARG A 137      22.083 145.170 -22.697  1.00 17.08           C  
-ATOM    696  O   ARG A 137      22.842 145.738 -23.492  1.00 16.79           O  
-ATOM    697  CB  ARG A 137      21.857 146.089 -20.359  1.00 13.21           C  
-ATOM    698  CG  ARG A 137      23.217 146.779 -20.385  1.00 13.20           C  
-ATOM    699  CD  ARG A 137      23.779 147.005 -18.986  1.00 14.36           C  
-ATOM    700  NE  ARG A 137      25.096 147.651 -19.011  1.00 15.52           N  
-ATOM    701  CZ  ARG A 137      25.305 148.973 -19.024  1.00 16.87           C  
-ATOM    702  NH1 ARG A 137      24.289 149.830 -19.014  1.00 16.05           N  
-ATOM    703  NH2 ARG A 137      26.544 149.442 -19.046  1.00 15.84           N  
-ATOM    704  N   ARG A 138      21.975 143.840 -22.637  1.00 16.91           N  
-ATOM    705  CA  ARG A 138      22.767 142.989 -23.527  1.00 16.78           C  
-ATOM    706  C   ARG A 138      22.308 143.139 -24.973  1.00 16.92           C  
-ATOM    707  O   ARG A 138      23.131 143.117 -25.887  1.00 18.57           O  
-ATOM    708  CB  ARG A 138      22.761 141.522 -23.075  1.00 15.47           C  
-ATOM    709  CG  ARG A 138      23.658 141.287 -21.873  1.00 14.71           C  
-ATOM    710  CD  ARG A 138      23.889 139.803 -21.572  1.00 15.29           C  
-ATOM    711  NE  ARG A 138      22.695 139.104 -21.084  1.00 16.46           N  
-ATOM    712  CZ  ARG A 138      22.264 139.120 -19.821  1.00 14.52           C  
-ATOM    713  NH1 ARG A 138      22.916 139.807 -18.883  1.00 14.19           N  
-ATOM    714  NH2 ARG A 138      21.184 138.429 -19.496  1.00 14.22           N  
-ATOM    715  N   VAL A 139      21.008 143.323 -25.180  1.00 16.53           N  
-ATOM    716  CA  VAL A 139      20.479 143.537 -26.531  1.00 18.95           C  
-ATOM    717  C   VAL A 139      21.083 144.849 -27.089  1.00 19.94           C  
-ATOM    718  O   VAL A 139      21.461 144.926 -28.264  1.00 20.83           O  
-ATOM    719  CB  VAL A 139      18.932 143.639 -26.523  1.00 18.54           C  
-ATOM    720  CG1 VAL A 139      18.421 144.162 -27.869  1.00 19.59           C  
-ATOM    721  CG2 VAL A 139      18.317 142.279 -26.220  1.00 17.97           C  
-ATOM    722  N   LEU A 140      21.205 145.861 -26.231  1.00 19.81           N  
-ATOM    723  CA  LEU A 140      21.774 147.151 -26.618  1.00 19.45           C  
-ATOM    724  C   LEU A 140      23.277 147.055 -26.852  1.00 20.22           C  
-ATOM    725  O   LEU A 140      23.802 147.697 -27.761  1.00 19.68           O  
-ATOM    726  CB  LEU A 140      21.483 148.217 -25.558  1.00 19.26           C  
-ATOM    727  CG  LEU A 140      20.011 148.622 -25.399  1.00 21.23           C  
-ATOM    728  CD1 LEU A 140      19.854 149.573 -24.211  1.00 21.59           C  
-ATOM    729  CD2 LEU A 140      19.500 149.260 -26.658  1.00 18.88           C  
-ATOM    730  N   LEU A 141      23.979 146.291 -26.019  1.00 20.04           N  
-ATOM    731  CA  LEU A 141      25.426 146.124 -26.188  1.00 21.92           C  
-ATOM    732  C   LEU A 141      25.725 145.633 -27.606  1.00 23.62           C  
-ATOM    733  O   LEU A 141      26.678 146.090 -28.252  1.00 22.58           O  
-ATOM    734  CB  LEU A 141      25.980 145.109 -25.186  1.00 20.34           C  
-ATOM    735  CG  LEU A 141      26.242 145.562 -23.749  1.00 21.01           C  
-ATOM    736  CD1 LEU A 141      26.582 144.334 -22.900  1.00 18.64           C  
-ATOM    737  CD2 LEU A 141      27.380 146.582 -23.705  1.00 16.78           C  
-ATOM    738  N   LYS A 142      24.903 144.702 -28.083  1.00 24.55           N  
-ATOM    739  CA  LYS A 142      25.074 144.158 -29.419  1.00 27.35           C  
-ATOM    740  C   LYS A 142      24.606 145.146 -30.504  1.00 27.31           C  
-ATOM    741  O   LYS A 142      25.375 145.468 -31.412  1.00 27.92           O  
-ATOM    742  CB  LYS A 142      24.371 142.800 -29.552  1.00 29.67           C  
-ATOM    743  CG  LYS A 142      24.749 142.081 -30.836  1.00 36.90           C  
-ATOM    744  CD  LYS A 142      24.083 140.720 -31.015  1.00 41.49           C  
-ATOM    745  CE  LYS A 142      24.473 140.137 -32.383  1.00 44.17           C  
-ATOM    746  NZ  LYS A 142      23.840 138.816 -32.670  1.00 48.47           N  
-ATOM    747  N   SER A 143      23.378 145.652 -30.400  1.00 25.95           N  
-ATOM    748  CA  SER A 143      22.861 146.604 -31.390  1.00 27.10           C  
-ATOM    749  C   SER A 143      23.763 147.820 -31.571  1.00 26.77           C  
-ATOM    750  O   SER A 143      24.080 148.199 -32.696  1.00 27.80           O  
-ATOM    751  CB  SER A 143      21.471 147.109 -31.000  1.00 26.86           C  
-ATOM    752  OG  SER A 143      20.541 146.052 -30.961  1.00 31.55           O  
-ATOM    753  N   LEU A 144      24.157 148.437 -30.462  1.00 24.73           N  
-ATOM    754  CA  LEU A 144      24.993 149.632 -30.492  1.00 24.26           C  
-ATOM    755  C   LEU A 144      26.451 149.313 -30.697  1.00 25.42           C  
-ATOM    756  O   LEU A 144      27.264 150.224 -30.785  1.00 24.95           O  
-ATOM    757  CB  LEU A 144      24.847 150.423 -29.190  1.00 22.87           C  
-ATOM    758  CG  LEU A 144      23.432 150.889 -28.833  1.00 24.23           C  
-ATOM    759  CD1 LEU A 144      23.427 151.537 -27.457  1.00 21.90           C  
-ATOM    760  CD2 LEU A 144      22.922 151.863 -29.893  1.00 21.92           C  
-ATOM    761  N   GLN A 145      26.780 148.024 -30.747  1.00 26.97           N  
-ATOM    762  CA  GLN A 145      28.162 147.564 -30.907  1.00 28.55           C  
-ATOM    763  C   GLN A 145      29.075 148.215 -29.872  1.00 27.48           C  
-ATOM    764  O   GLN A 145      30.147 148.733 -30.201  1.00 25.48           O  
-ATOM    765  CB  GLN A 145      28.675 147.858 -32.315  1.00 32.68           C  
-ATOM    766  CG  GLN A 145      27.954 147.111 -33.399  1.00 39.64           C  
-ATOM    767  CD  GLN A 145      28.578 147.373 -34.753  1.00 47.22           C  
-ATOM    768  OE1 GLN A 145      29.623 146.804 -35.089  1.00 51.03           O  
-ATOM    769  NE2 GLN A 145      27.960 148.260 -35.532  1.00 49.81           N  
-ATOM    770  N   LYS A 146      28.646 148.185 -28.616  1.00 24.95           N  
-ATOM    771  CA  LYS A 146      29.413 148.795 -27.537  1.00 25.38           C  
-ATOM    772  C   LYS A 146      30.734 148.071 -27.287  1.00 25.04           C  
-ATOM    773  O   LYS A 146      30.851 146.863 -27.517  1.00 26.63           O  
-ATOM    774  CB  LYS A 146      28.580 148.830 -26.246  1.00 24.97           C  
-ATOM    775  CG  LYS A 146      27.195 149.492 -26.371  1.00 25.01           C  
-ATOM    776  CD  LYS A 146      27.265 150.974 -26.739  1.00 24.87           C  
-ATOM    777  CE  LYS A 146      28.112 151.752 -25.755  1.00 25.85           C  
-ATOM    778  NZ  LYS A 146      28.095 153.210 -26.020  1.00 24.46           N  
-ATOM    779  N   ASP A 147      31.738 148.813 -26.834  1.00 24.56           N  
-ATOM    780  CA  ASP A 147      33.035 148.230 -26.539  1.00 24.89           C  
-ATOM    781  C   ASP A 147      32.887 147.285 -25.341  1.00 24.31           C  
-ATOM    782  O   ASP A 147      32.648 147.739 -24.214  1.00 22.61           O  
-ATOM    783  CB  ASP A 147      34.043 149.320 -26.193  1.00 28.09           C  
-ATOM    784  CG  ASP A 147      35.421 148.758 -25.930  1.00 32.16           C  
-ATOM    785  OD1 ASP A 147      35.710 148.393 -24.778  1.00 32.57           O  
-ATOM    786  OD2 ASP A 147      36.205 148.644 -26.892  1.00 38.34           O  
-ATOM    787  N   LEU A 148      33.107 145.992 -25.573  1.00 22.41           N  
-ATOM    788  CA  LEU A 148      32.969 144.997 -24.523  1.00 21.12           C  
-ATOM    789  C   LEU A 148      33.992 145.066 -23.399  1.00 21.79           C  
-ATOM    790  O   LEU A 148      33.706 144.654 -22.281  1.00 21.91           O  
-ATOM    791  CB  LEU A 148      32.883 143.600 -25.127  1.00 20.07           C  
-ATOM    792  CG  LEU A 148      31.703 143.413 -26.087  1.00 19.66           C  
-ATOM    793  CD1 LEU A 148      31.640 141.979 -26.550  1.00 17.84           C  
-ATOM    794  CD2 LEU A 148      30.389 143.824 -25.423  1.00 18.76           C  
-ATOM    795  N   HIS A 149      35.174 145.612 -23.660  1.00 22.72           N  
-ATOM    796  CA  HIS A 149      36.179 145.732 -22.602  1.00 23.13           C  
-ATOM    797  C   HIS A 149      35.767 146.816 -21.631  1.00 24.13           C  
-ATOM    798  O   HIS A 149      36.021 146.726 -20.428  1.00 23.80           O  
-ATOM    799  CB  HIS A 149      37.562 145.996 -23.185  1.00 25.99           C  
-ATOM    800  CG  HIS A 149      38.099 144.832 -23.951  1.00 30.36           C  
-ATOM    801  ND1 HIS A 149      38.472 143.654 -23.338  1.00 32.45           N  
-ATOM    802  CD2 HIS A 149      38.230 144.620 -25.282  1.00 31.73           C  
-ATOM    803  CE1 HIS A 149      38.805 142.764 -24.257  1.00 33.08           C  
-ATOM    804  NE2 HIS A 149      38.666 143.325 -25.444  1.00 33.56           N  
-ATOM    805  N   GLU A 150      35.056 147.808 -22.152  1.00 24.75           N  
-ATOM    806  CA  GLU A 150      34.557 148.900 -21.336  1.00 26.22           C  
-ATOM    807  C   GLU A 150      33.451 148.298 -20.450  1.00 23.91           C  
-ATOM    808  O   GLU A 150      33.377 148.579 -19.250  1.00 21.16           O  
-ATOM    809  CB  GLU A 150      33.987 150.001 -22.244  1.00 31.53           C  
-ATOM    810  CG  GLU A 150      33.946 151.397 -21.630  1.00 41.52           C  
-ATOM    811  CD  GLU A 150      35.341 152.037 -21.468  1.00 48.99           C  
-ATOM    812  OE1 GLU A 150      35.403 153.255 -21.172  1.00 53.52           O  
-ATOM    813  OE2 GLU A 150      36.377 151.340 -21.628  1.00 51.07           O  
-ATOM    814  N   GLU A 151      32.637 147.423 -21.041  1.00 21.71           N  
-ATOM    815  CA  GLU A 151      31.546 146.772 -20.312  1.00 21.86           C  
-ATOM    816  C   GLU A 151      32.100 145.825 -19.241  1.00 20.87           C  
-ATOM    817  O   GLU A 151      31.498 145.658 -18.182  1.00 19.76           O  
-ATOM    818  CB  GLU A 151      30.595 146.036 -21.274  1.00 21.24           C  
-ATOM    819  CG  GLU A 151      29.356 145.414 -20.599  1.00 19.58           C  
-ATOM    820  CD  GLU A 151      28.365 146.425 -19.996  1.00 20.62           C  
-ATOM    821  OE1 GLU A 151      28.568 147.655 -20.100  1.00 17.32           O  
-ATOM    822  OE2 GLU A 151      27.355 145.974 -19.412  1.00 19.10           O  
-ATOM    823  N   MET A 152      33.247 145.212 -19.518  1.00 20.07           N  
-ATOM    824  CA  MET A 152      33.881 144.335 -18.539  1.00 21.59           C  
-ATOM    825  C   MET A 152      34.290 145.158 -17.314  1.00 21.33           C  
-ATOM    826  O   MET A 152      34.165 144.706 -16.176  1.00 20.57           O  
-ATOM    827  CB  MET A 152      35.110 143.638 -19.138  1.00 22.34           C  
-ATOM    828  CG  MET A 152      34.794 142.380 -19.942  1.00 25.05           C  
-ATOM    829  SD  MET A 152      34.266 141.020 -18.860  1.00 27.77           S  
-ATOM    830  CE  MET A 152      35.765 140.687 -18.021  1.00 27.61           C  
-ATOM    831  N   ASN A 153      34.765 146.380 -17.552  1.00 22.05           N  
-ATOM    832  CA  ASN A 153      35.180 147.265 -16.459  1.00 21.26           C  
-ATOM    833  C   ASN A 153      33.951 147.616 -15.622  1.00 18.60           C  
-ATOM    834  O   ASN A 153      34.012 147.695 -14.396  1.00 18.07           O  
-ATOM    835  CB  ASN A 153      35.819 148.548 -17.000  1.00 22.08           C  
-ATOM    836  CG  ASN A 153      37.084 148.289 -17.793  1.00 25.93           C  
-ATOM    837  OD1 ASN A 153      37.753 147.264 -17.634  1.00 25.94           O  
-ATOM    838  ND2 ASN A 153      37.421 149.228 -18.660  1.00 28.32           N  
-ATOM    839  N   TYR A 154      32.835 147.835 -16.298  1.00 18.16           N  
-ATOM    840  CA  TYR A 154      31.591 148.148 -15.619  1.00 17.35           C  
-ATOM    841  C   TYR A 154      31.131 146.973 -14.732  1.00 18.23           C  
-ATOM    842  O   TYR A 154      30.875 147.164 -13.535  1.00 18.10           O  
-ATOM    843  CB  TYR A 154      30.511 148.475 -16.651  1.00 16.57           C  
-ATOM    844  CG  TYR A 154      29.118 148.530 -16.074  1.00 17.88           C  
-ATOM    845  CD1 TYR A 154      28.760 149.534 -15.176  1.00 17.65           C  
-ATOM    846  CD2 TYR A 154      28.151 147.586 -16.434  1.00 18.10           C  
-ATOM    847  CE1 TYR A 154      27.469 149.604 -14.650  1.00 18.90           C  
-ATOM    848  CE2 TYR A 154      26.855 147.648 -15.914  1.00 18.33           C  
-ATOM    849  CZ  TYR A 154      26.525 148.661 -15.025  1.00 18.82           C  
-ATOM    850  OH  TYR A 154      25.257 148.756 -14.501  1.00 20.27           O  
-ATOM    851  N   ILE A 155      31.048 145.765 -15.307  1.00 17.31           N  
-ATOM    852  CA  ILE A 155      30.587 144.597 -14.551  1.00 16.06           C  
-ATOM    853  C   ILE A 155      31.511 144.265 -13.388  1.00 17.63           C  
-ATOM    854  O   ILE A 155      31.057 143.761 -12.356  1.00 16.78           O  
-ATOM    855  CB  ILE A 155      30.341 143.365 -15.454  1.00 15.00           C  
-ATOM    856  CG1 ILE A 155      29.364 142.394 -14.770  1.00 14.83           C  
-ATOM    857  CG2 ILE A 155      31.656 142.664 -15.787  1.00 15.60           C  
-ATOM    858  CD1 ILE A 155      28.003 143.019 -14.351  1.00 12.08           C  
-ATOM    859  N   THR A 156      32.797 144.583 -13.546  1.00 17.44           N  
-ATOM    860  CA  THR A 156      33.789 144.363 -12.498  1.00 18.10           C  
-ATOM    861  C   THR A 156      33.433 145.222 -11.282  1.00 18.16           C  
-ATOM    862  O   THR A 156      33.392 144.733 -10.146  1.00 16.99           O  
-ATOM    863  CB  THR A 156      35.210 144.714 -13.003  1.00 17.87           C  
-ATOM    864  OG1 THR A 156      35.588 143.783 -14.024  1.00 17.81           O  
-ATOM    865  CG2 THR A 156      36.217 144.650 -11.877  1.00 16.43           C  
-ATOM    866  N   ALA A 157      33.121 146.489 -11.530  1.00 17.89           N  
-ATOM    867  CA  ALA A 157      32.746 147.401 -10.459  1.00 17.98           C  
-ATOM    868  C   ALA A 157      31.420 146.984  -9.818  1.00 18.50           C  
-ATOM    869  O   ALA A 157      31.270 147.041  -8.594  1.00 20.34           O  
-ATOM    870  CB  ALA A 157      32.639 148.809 -10.988  1.00 16.35           C  
-ATOM    871  N   ILE A 158      30.462 146.565 -10.640  1.00 18.75           N  
-ATOM    872  CA  ILE A 158      29.156 146.145 -10.135  1.00 18.95           C  
-ATOM    873  C   ILE A 158      29.247 144.911  -9.228  1.00 18.08           C  
-ATOM    874  O   ILE A 158      28.694 144.904  -8.122  1.00 17.39           O  
-ATOM    875  CB  ILE A 158      28.167 145.883 -11.294  1.00 19.61           C  
-ATOM    876  CG1 ILE A 158      27.874 147.195 -12.018  1.00 20.63           C  
-ATOM    877  CG2 ILE A 158      26.864 145.245 -10.777  1.00 19.82           C  
-ATOM    878  CD1 ILE A 158      27.296 148.266 -11.121  1.00 22.37           C  
-ATOM    879  N   ILE A 159      29.947 143.879  -9.690  1.00 16.51           N  
-ATOM    880  CA  ILE A 159      30.100 142.663  -8.901  1.00 15.55           C  
-ATOM    881  C   ILE A 159      30.805 142.964  -7.580  1.00 17.00           C  
-ATOM    882  O   ILE A 159      30.426 142.434  -6.541  1.00 16.04           O  
-ATOM    883  CB  ILE A 159      30.841 141.561  -9.690  1.00 13.88           C  
-ATOM    884  CG1 ILE A 159      29.965 141.090 -10.856  1.00 12.40           C  
-ATOM    885  CG2 ILE A 159      31.189 140.392  -8.769  1.00 12.50           C  
-ATOM    886  CD1 ILE A 159      30.667 140.137 -11.827  1.00 12.55           C  
-ATOM    887  N   GLU A 160      31.816 143.830  -7.603  1.00 18.44           N  
-ATOM    888  CA  GLU A 160      32.514 144.189  -6.371  1.00 20.15           C  
-ATOM    889  C   GLU A 160      31.518 144.740  -5.335  1.00 20.91           C  
-ATOM    890  O   GLU A 160      31.615 144.426  -4.157  1.00 21.46           O  
-ATOM    891  CB  GLU A 160      33.601 145.231  -6.643  1.00 19.54           C  
-ATOM    892  CG  GLU A 160      34.811 144.708  -7.376  1.00 21.72           C  
-ATOM    893  CD  GLU A 160      35.754 143.893  -6.497  1.00 23.79           C  
-ATOM    894  OE1 GLU A 160      35.602 143.887  -5.252  1.00 25.49           O  
-ATOM    895  OE2 GLU A 160      36.675 143.263  -7.062  1.00 24.91           O  
-ATOM    896  N   GLU A 161      30.567 145.558  -5.780  1.00 21.55           N  
-ATOM    897  CA  GLU A 161      29.567 146.134  -4.882  1.00 23.60           C  
-ATOM    898  C   GLU A 161      28.502 145.140  -4.450  1.00 22.59           C  
-ATOM    899  O   GLU A 161      28.018 145.203  -3.324  1.00 21.84           O  
-ATOM    900  CB  GLU A 161      28.823 147.280  -5.555  1.00 27.68           C  
-ATOM    901  CG  GLU A 161      29.610 148.530  -5.809  1.00 37.77           C  
-ATOM    902  CD  GLU A 161      28.857 149.486  -6.738  1.00 43.98           C  
-ATOM    903  OE1 GLU A 161      27.598 149.397  -6.825  1.00 45.66           O  
-ATOM    904  OE2 GLU A 161      29.535 150.313  -7.393  1.00 47.68           O  
-ATOM    905  N   GLN A 162      28.055 144.308  -5.386  1.00 21.60           N  
-ATOM    906  CA  GLN A 162      27.001 143.335  -5.113  1.00 21.95           C  
-ATOM    907  C   GLN A 162      27.400 141.954  -5.626  1.00 19.70           C  
-ATOM    908  O   GLN A 162      26.871 141.488  -6.635  1.00 20.35           O  
-ATOM    909  CB  GLN A 162      25.702 143.784  -5.803  1.00 24.48           C  
-ATOM    910  CG  GLN A 162      25.313 145.235  -5.510  1.00 29.18           C  
-ATOM    911  CD  GLN A 162      23.886 145.567  -5.899  1.00 30.82           C  
-ATOM    912  OE1 GLN A 162      22.940 144.954  -5.408  1.00 33.67           O  
-ATOM    913  NE2 GLN A 162      23.722 146.551  -6.766  1.00 32.56           N  
-ATOM    914  N   PRO A 163      28.320 141.267  -4.923  1.00 17.58           N  
-ATOM    915  CA  PRO A 163      28.766 139.935  -5.348  1.00 16.15           C  
-ATOM    916  C   PRO A 163      27.795 138.771  -5.124  1.00 16.13           C  
-ATOM    917  O   PRO A 163      28.021 137.676  -5.645  1.00 15.89           O  
-ATOM    918  CB  PRO A 163      30.063 139.749  -4.569  1.00 15.18           C  
-ATOM    919  CG  PRO A 163      29.784 140.463  -3.296  1.00 16.53           C  
-ATOM    920  CD  PRO A 163      29.068 141.721  -3.735  1.00 17.14           C  
-ATOM    921  N   LYS A 164      26.735 138.984  -4.347  1.00 15.57           N  
-ATOM    922  CA  LYS A 164      25.762 137.924  -4.080  1.00 16.04           C  
-ATOM    923  C   LYS A 164      24.496 138.197  -4.888  1.00 15.66           C  
-ATOM    924  O   LYS A 164      23.453 138.574  -4.356  1.00 18.01           O  
-ATOM    925  CB  LYS A 164      25.465 137.851  -2.578  1.00 17.84           C  
-ATOM    926  CG  LYS A 164      26.663 137.395  -1.735  1.00 19.79           C  
-ATOM    927  CD  LYS A 164      26.227 136.946  -0.354  1.00 22.50           C  
-ATOM    928  CE  LYS A 164      27.301 136.103   0.337  1.00 26.08           C  
-ATOM    929  NZ  LYS A 164      26.762 135.505   1.617  1.00 25.85           N  
-ATOM    930  N   ASN A 165      24.583 137.971  -6.185  1.00 15.69           N  
-ATOM    931  CA  ASN A 165      23.481 138.272  -7.090  1.00 14.98           C  
-ATOM    932  C   ASN A 165      23.714 137.405  -8.335  1.00 14.22           C  
-ATOM    933  O   ASN A 165      24.848 137.289  -8.795  1.00 14.95           O  
-ATOM    934  CB  ASN A 165      23.580 139.783  -7.406  1.00 14.24           C  
-ATOM    935  CG  ASN A 165      22.721 140.215  -8.575  1.00 16.26           C  
-ATOM    936  OD1 ASN A 165      22.886 139.735  -9.697  1.00 17.18           O  
-ATOM    937  ND2 ASN A 165      21.828 141.166  -8.331  1.00 17.15           N  
-ATOM    938  N   TYR A 166      22.667 136.772  -8.855  1.00 11.86           N  
-ATOM    939  CA  TYR A 166      22.815 135.911 -10.026  1.00 12.58           C  
-ATOM    940  C   TYR A 166      23.049 136.649 -11.331  1.00 13.95           C  
-ATOM    941  O   TYR A 166      23.849 136.212 -12.161  1.00 14.39           O  
-ATOM    942  CB  TYR A 166      21.584 135.026 -10.220  1.00 11.60           C  
-ATOM    943  CG  TYR A 166      21.444 133.904  -9.217  1.00 12.04           C  
-ATOM    944  CD1 TYR A 166      20.686 134.074  -8.062  1.00 12.32           C  
-ATOM    945  CD2 TYR A 166      22.040 132.658  -9.444  1.00 12.53           C  
-ATOM    946  CE1 TYR A 166      20.513 133.037  -7.153  1.00 13.38           C  
-ATOM    947  CE2 TYR A 166      21.875 131.600  -8.540  1.00 13.24           C  
-ATOM    948  CZ  TYR A 166      21.105 131.800  -7.399  1.00 13.72           C  
-ATOM    949  OH  TYR A 166      20.890 130.768  -6.519  1.00 13.74           O  
-ATOM    950  N   GLN A 167      22.331 137.750 -11.525  1.00 14.01           N  
-ATOM    951  CA  GLN A 167      22.414 138.510 -12.767  1.00 13.44           C  
-ATOM    952  C   GLN A 167      23.774 139.096 -13.104  1.00 13.58           C  
-ATOM    953  O   GLN A 167      24.197 139.040 -14.267  1.00 14.17           O  
-ATOM    954  CB  GLN A 167      21.337 139.602 -12.807  1.00 15.02           C  
-ATOM    955  CG  GLN A 167      19.920 139.065 -12.932  1.00 18.07           C  
-ATOM    956  CD  GLN A 167      19.446 138.397 -11.657  1.00 24.21           C  
-ATOM    957  OE1 GLN A 167      19.799 138.820 -10.545  1.00 27.39           O  
-ATOM    958  NE2 GLN A 167      18.660 137.339 -11.802  1.00 26.20           N  
-ATOM    959  N   VAL A 168      24.466 139.647 -12.114  1.00 11.89           N  
-ATOM    960  CA  VAL A 168      25.763 140.254 -12.374  1.00 12.71           C  
-ATOM    961  C   VAL A 168      26.796 139.243 -12.839  1.00 13.22           C  
-ATOM    962  O   VAL A 168      27.532 139.497 -13.788  1.00 13.43           O  
-ATOM    963  CB  VAL A 168      26.262 141.087 -11.174  1.00 12.34           C  
-ATOM    964  CG1 VAL A 168      25.201 142.124 -10.821  1.00 10.78           C  
-ATOM    965  CG2 VAL A 168      26.576 140.192  -9.958  1.00 13.01           C  
-ATOM    966  N   TRP A 169      26.812 138.072 -12.215  1.00 13.68           N  
-ATOM    967  CA  TRP A 169      27.755 137.030 -12.603  1.00 12.76           C  
-ATOM    968  C   TRP A 169      27.404 136.470 -13.982  1.00 13.59           C  
-ATOM    969  O   TRP A 169      28.295 136.196 -14.790  1.00 13.69           O  
-ATOM    970  CB  TRP A 169      27.787 135.919 -11.556  1.00 11.96           C  
-ATOM    971  CG  TRP A 169      28.523 136.324 -10.306  1.00 12.52           C  
-ATOM    972  CD1 TRP A 169      27.975 136.761  -9.129  1.00 12.29           C  
-ATOM    973  CD2 TRP A 169      29.948 136.351 -10.121  1.00 13.29           C  
-ATOM    974  NE1 TRP A 169      28.969 137.056  -8.228  1.00 13.21           N  
-ATOM    975  CE2 TRP A 169      30.189 136.818  -8.807  1.00 11.93           C  
-ATOM    976  CE3 TRP A 169      31.044 136.029 -10.941  1.00 12.99           C  
-ATOM    977  CZ2 TRP A 169      31.485 136.976  -8.289  1.00 12.72           C  
-ATOM    978  CZ3 TRP A 169      32.333 136.183 -10.430  1.00 13.41           C  
-ATOM    979  CH2 TRP A 169      32.543 136.655  -9.112  1.00 14.22           C  
-ATOM    980  N   HIS A 170      26.115 136.305 -14.263  1.00 10.96           N  
-ATOM    981  CA  HIS A 170      25.732 135.801 -15.562  1.00 11.78           C  
-ATOM    982  C   HIS A 170      26.136 136.782 -16.662  1.00 13.89           C  
-ATOM    983  O   HIS A 170      26.569 136.373 -17.740  1.00 12.67           O  
-ATOM    984  CB  HIS A 170      24.239 135.566 -15.661  1.00 12.33           C  
-ATOM    985  CG  HIS A 170      23.844 134.957 -16.967  1.00 13.71           C  
-ATOM    986  ND1 HIS A 170      23.007 135.586 -17.862  1.00 15.80           N  
-ATOM    987  CD2 HIS A 170      24.254 133.816 -17.568  1.00 11.23           C  
-ATOM    988  CE1 HIS A 170      22.927 134.864 -18.966  1.00 13.65           C  
-ATOM    989  NE2 HIS A 170      23.673 133.785 -18.812  1.00 15.63           N  
-ATOM    990  N   HIS A 171      25.950 138.072 -16.394  1.00 13.16           N  
-ATOM    991  CA  HIS A 171      26.291 139.111 -17.357  1.00 14.33           C  
-ATOM    992  C   HIS A 171      27.776 139.023 -17.668  1.00 13.78           C  
-ATOM    993  O   HIS A 171      28.169 139.096 -18.834  1.00 14.53           O  
-ATOM    994  CB  HIS A 171      25.937 140.498 -16.803  1.00 13.93           C  
-ATOM    995  CG  HIS A 171      26.083 141.612 -17.804  1.00 15.52           C  
-ATOM    996  ND1 HIS A 171      25.193 141.810 -18.842  1.00 15.98           N  
-ATOM    997  CD2 HIS A 171      27.013 142.596 -17.913  1.00 16.12           C  
-ATOM    998  CE1 HIS A 171      25.568 142.867 -19.547  1.00 16.23           C  
-ATOM    999  NE2 HIS A 171      26.669 143.359 -19.005  1.00 16.58           N  
-ATOM   1000  N   ARG A 172      28.596 138.875 -16.629  1.00 14.16           N  
-ATOM   1001  CA  ARG A 172      30.043 138.753 -16.800  1.00 13.30           C  
-ATOM   1002  C   ARG A 172      30.387 137.521 -17.626  1.00 14.34           C  
-ATOM   1003  O   ARG A 172      31.241 137.583 -18.501  1.00 13.77           O  
-ATOM   1004  CB  ARG A 172      30.769 138.677 -15.462  1.00 12.82           C  
-ATOM   1005  CG  ARG A 172      32.277 138.747 -15.627  1.00 12.61           C  
-ATOM   1006  CD  ARG A 172      33.019 138.736 -14.313  1.00 15.08           C  
-ATOM   1007  NE  ARG A 172      34.450 138.856 -14.564  1.00 15.60           N  
-ATOM   1008  CZ  ARG A 172      35.176 139.953 -14.362  1.00 17.40           C  
-ATOM   1009  NH1 ARG A 172      34.630 141.065 -13.869  1.00 15.68           N  
-ATOM   1010  NH2 ARG A 172      36.451 139.954 -14.726  1.00 16.83           N  
-ATOM   1011  N   ARG A 173      29.732 136.398 -17.355  1.00 15.01           N  
-ATOM   1012  CA  ARG A 173      29.996 135.196 -18.130  1.00 14.31           C  
-ATOM   1013  C   ARG A 173      29.689 135.433 -19.610  1.00 14.82           C  
-ATOM   1014  O   ARG A 173      30.468 135.034 -20.481  1.00 15.08           O  
-ATOM   1015  CB  ARG A 173      29.181 134.013 -17.609  1.00 15.46           C  
-ATOM   1016  CG  ARG A 173      29.175 132.811 -18.554  1.00 15.06           C  
-ATOM   1017  CD  ARG A 173      28.449 131.638 -17.935  1.00 16.39           C  
-ATOM   1018  NE  ARG A 173      28.253 130.561 -18.890  1.00 17.20           N  
-ATOM   1019  CZ  ARG A 173      28.104 129.287 -18.550  1.00 18.68           C  
-ATOM   1020  NH1 ARG A 173      28.136 128.927 -17.271  1.00 17.21           N  
-ATOM   1021  NH2 ARG A 173      27.908 128.375 -19.488  1.00 18.86           N  
-ATOM   1022  N   VAL A 174      28.565 136.080 -19.903  1.00 13.92           N  
-ATOM   1023  CA  VAL A 174      28.198 136.363 -21.297  1.00 16.45           C  
-ATOM   1024  C   VAL A 174      29.292 137.223 -21.976  1.00 17.14           C  
-ATOM   1025  O   VAL A 174      29.680 136.959 -23.114  1.00 17.98           O  
-ATOM   1026  CB  VAL A 174      26.800 137.068 -21.401  1.00 15.80           C  
-ATOM   1027  CG1 VAL A 174      26.550 137.572 -22.818  1.00 16.52           C  
-ATOM   1028  CG2 VAL A 174      25.678 136.101 -21.006  1.00 13.20           C  
-ATOM   1029  N   LEU A 175      29.822 138.209 -21.258  1.00 17.26           N  
-ATOM   1030  CA  LEU A 175      30.862 139.077 -21.799  1.00 17.16           C  
-ATOM   1031  C   LEU A 175      32.114 138.273 -22.132  1.00 19.85           C  
-ATOM   1032  O   LEU A 175      32.702 138.435 -23.206  1.00 20.53           O  
-ATOM   1033  CB  LEU A 175      31.200 140.202 -20.809  1.00 15.05           C  
-ATOM   1034  CG  LEU A 175      30.070 141.200 -20.507  1.00 14.58           C  
-ATOM   1035  CD1 LEU A 175      30.570 142.260 -19.544  1.00 13.85           C  
-ATOM   1036  CD2 LEU A 175      29.577 141.858 -21.790  1.00 15.28           C  
-ATOM   1037  N   VAL A 176      32.513 137.392 -21.220  1.00 19.25           N  
-ATOM   1038  CA  VAL A 176      33.697 136.564 -21.427  1.00 18.89           C  
-ATOM   1039  C   VAL A 176      33.478 135.622 -22.625  1.00 19.06           C  
-ATOM   1040  O   VAL A 176      34.382 135.427 -23.432  1.00 19.31           O  
-ATOM   1041  CB  VAL A 176      34.069 135.810 -20.129  1.00 17.94           C  
-ATOM   1042  CG1 VAL A 176      35.226 134.848 -20.371  1.00 16.57           C  
-ATOM   1043  CG2 VAL A 176      34.440 136.826 -19.042  1.00 16.50           C  
-ATOM   1044  N   GLU A 177      32.268 135.085 -22.763  1.00 19.71           N  
-ATOM   1045  CA  GLU A 177      31.920 134.212 -23.893  1.00 21.55           C  
-ATOM   1046  C   GLU A 177      31.970 134.997 -25.212  1.00 22.51           C  
-ATOM   1047  O   GLU A 177      32.453 134.490 -26.231  1.00 22.83           O  
-ATOM   1048  CB  GLU A 177      30.509 133.637 -23.731  1.00 21.25           C  
-ATOM   1049  CG  GLU A 177      30.399 132.539 -22.679  1.00 24.90           C  
-ATOM   1050  CD  GLU A 177      28.968 132.126 -22.376  1.00 27.11           C  
-ATOM   1051  OE1 GLU A 177      28.777 131.014 -21.836  1.00 28.79           O  
-ATOM   1052  OE2 GLU A 177      28.036 132.916 -22.650  1.00 28.77           O  
-ATOM   1053  N   TRP A 178      31.440 136.218 -25.190  1.00 20.92           N  
-ATOM   1054  CA  TRP A 178      31.421 137.070 -26.369  1.00 22.05           C  
-ATOM   1055  C   TRP A 178      32.827 137.440 -26.797  1.00 22.18           C  
-ATOM   1056  O   TRP A 178      33.127 137.468 -27.982  1.00 24.36           O  
-ATOM   1057  CB  TRP A 178      30.641 138.354 -26.097  1.00 20.76           C  
-ATOM   1058  CG  TRP A 178      29.166 138.198 -26.185  1.00 22.37           C  
-ATOM   1059  CD1 TRP A 178      28.473 137.072 -26.549  1.00 21.20           C  
-ATOM   1060  CD2 TRP A 178      28.180 139.209 -25.919  1.00 22.47           C  
-ATOM   1061  NE1 TRP A 178      27.117 137.324 -26.526  1.00 22.67           N  
-ATOM   1062  CE2 TRP A 178      26.908 138.625 -26.147  1.00 21.93           C  
-ATOM   1063  CE3 TRP A 178      28.250 140.550 -25.513  1.00 22.14           C  
-ATOM   1064  CZ2 TRP A 178      25.714 139.338 -25.983  1.00 20.96           C  
-ATOM   1065  CZ3 TRP A 178      27.060 141.258 -25.349  1.00 22.18           C  
-ATOM   1066  CH2 TRP A 178      25.810 140.647 -25.585  1.00 21.14           C  
-ATOM   1067  N   LEU A 179      33.675 137.760 -25.832  1.00 21.30           N  
-ATOM   1068  CA  LEU A 179      35.042 138.148 -26.121  1.00 22.23           C  
-ATOM   1069  C   LEU A 179      35.982 136.971 -26.269  1.00 24.61           C  
-ATOM   1070  O   LEU A 179      37.067 137.116 -26.837  1.00 25.58           O  
-ATOM   1071  CB  LEU A 179      35.582 139.032 -24.999  1.00 21.16           C  
-ATOM   1072  CG  LEU A 179      35.077 140.465 -24.860  1.00 21.64           C  
-ATOM   1073  CD1 LEU A 179      35.547 141.010 -23.536  1.00 19.61           C  
-ATOM   1074  CD2 LEU A 179      35.595 141.319 -26.010  1.00 21.53           C  
-ATOM   1075  N   ARG A 180      35.588 135.822 -25.723  1.00 26.15           N  
-ATOM   1076  CA  ARG A 180      36.441 134.633 -25.729  1.00 27.41           C  
-ATOM   1077  C   ARG A 180      37.754 135.024 -25.043  1.00 27.07           C  
-ATOM   1078  O   ARG A 180      38.826 134.525 -25.387  1.00 27.80           O  
-ATOM   1079  CB  ARG A 180      36.699 134.167 -27.158  1.00 29.40           C  
-ATOM   1080  CG  ARG A 180      35.600 133.314 -27.723  1.00 31.98           C  
-ATOM   1081  CD  ARG A 180      35.938 131.867 -27.485  1.00 37.37           C  
-ATOM   1082  NE  ARG A 180      35.029 131.231 -26.542  1.00 40.03           N  
-ATOM   1083  CZ  ARG A 180      35.295 130.099 -25.897  1.00 40.72           C  
-ATOM   1084  NH1 ARG A 180      36.448 129.470 -26.079  1.00 40.34           N  
-ATOM   1085  NH2 ARG A 180      34.393 129.576 -25.088  1.00 40.57           N  
-ATOM   1086  N   ASP A 181      37.644 135.905 -24.049  1.00 24.94           N  
-ATOM   1087  CA  ASP A 181      38.795 136.421 -23.317  1.00 24.57           C  
-ATOM   1088  C   ASP A 181      38.662 136.213 -21.793  1.00 24.50           C  
-ATOM   1089  O   ASP A 181      38.007 136.998 -21.089  1.00 23.55           O  
-ATOM   1090  CB  ASP A 181      38.946 137.904 -23.649  1.00 24.22           C  
-ATOM   1091  CG  ASP A 181      40.076 138.564 -22.907  1.00 26.67           C  
-ATOM   1092  OD1 ASP A 181      40.966 137.856 -22.377  1.00 25.81           O  
-ATOM   1093  OD2 ASP A 181      40.069 139.813 -22.856  1.00 28.56           O  
-ATOM   1094  N   PRO A 182      39.344 135.185 -21.257  1.00 24.06           N  
-ATOM   1095  CA  PRO A 182      39.311 134.861 -19.830  1.00 22.09           C  
-ATOM   1096  C   PRO A 182      40.506 135.408 -19.078  1.00 21.16           C  
-ATOM   1097  O   PRO A 182      40.680 135.113 -17.903  1.00 20.80           O  
-ATOM   1098  CB  PRO A 182      39.398 133.350 -19.860  1.00 23.30           C  
-ATOM   1099  CG  PRO A 182      40.475 133.152 -20.913  1.00 24.17           C  
-ATOM   1100  CD  PRO A 182      40.050 134.126 -22.010  1.00 23.53           C  
-ATOM   1101  N   SER A 183      41.313 136.226 -19.742  1.00 21.37           N  
-ATOM   1102  CA  SER A 183      42.535 136.737 -19.136  1.00 21.60           C  
-ATOM   1103  C   SER A 183      42.422 137.480 -17.815  1.00 21.27           C  
-ATOM   1104  O   SER A 183      43.382 137.524 -17.063  1.00 20.88           O  
-ATOM   1105  CB  SER A 183      43.312 137.581 -20.141  1.00 22.54           C  
-ATOM   1106  OG  SER A 183      42.567 138.730 -20.490  1.00 24.82           O  
-ATOM   1107  N   GLN A 184      41.275 138.086 -17.527  1.00 21.78           N  
-ATOM   1108  CA  GLN A 184      41.123 138.814 -16.264  1.00 21.03           C  
-ATOM   1109  C   GLN A 184      40.377 138.024 -15.188  1.00 20.63           C  
-ATOM   1110  O   GLN A 184      40.358 138.417 -14.017  1.00 20.16           O  
-ATOM   1111  CB  GLN A 184      40.355 140.111 -16.492  1.00 21.73           C  
-ATOM   1112  CG  GLN A 184      41.090 141.143 -17.288  1.00 25.20           C  
-ATOM   1113  CD  GLN A 184      40.208 142.344 -17.590  1.00 28.85           C  
-ATOM   1114  OE1 GLN A 184      39.228 142.612 -16.892  1.00 28.19           O  
-ATOM   1115  NE2 GLN A 184      40.545 143.065 -18.648  1.00 32.08           N  
-ATOM   1116  N   GLU A 185      39.786 136.904 -15.585  1.00 20.25           N  
-ATOM   1117  CA  GLU A 185      38.973 136.108 -14.684  1.00 18.78           C  
-ATOM   1118  C   GLU A 185      39.542 135.589 -13.369  1.00 18.74           C  
-ATOM   1119  O   GLU A 185      39.021 135.933 -12.309  1.00 17.29           O  
-ATOM   1120  CB  GLU A 185      38.297 134.991 -15.465  1.00 19.18           C  
-ATOM   1121  CG  GLU A 185      37.459 135.509 -16.619  1.00 19.60           C  
-ATOM   1122  CD  GLU A 185      36.576 136.668 -16.212  1.00 20.77           C  
-ATOM   1123  OE1 GLU A 185      35.564 136.435 -15.527  1.00 18.81           O  
-ATOM   1124  OE2 GLU A 185      36.904 137.819 -16.570  1.00 19.81           O  
-ATOM   1125  N   LEU A 186      40.590 134.772 -13.415  1.00 19.04           N  
-ATOM   1126  CA  LEU A 186      41.139 134.216 -12.180  1.00 19.15           C  
-ATOM   1127  C   LEU A 186      41.572 135.270 -11.176  1.00 20.98           C  
-ATOM   1128  O   LEU A 186      41.357 135.115  -9.969  1.00 20.63           O  
-ATOM   1129  CB  LEU A 186      42.272 133.236 -12.472  1.00 18.92           C  
-ATOM   1130  CG  LEU A 186      41.848 132.032 -13.319  1.00 20.17           C  
-ATOM   1131  CD1 LEU A 186      43.033 131.097 -13.509  1.00 21.79           C  
-ATOM   1132  CD2 LEU A 186      40.682 131.288 -12.662  1.00 19.57           C  
-ATOM   1133  N   GLU A 187      42.141 136.367 -11.667  1.00 21.00           N  
-ATOM   1134  CA  GLU A 187      42.577 137.438 -10.782  1.00 21.91           C  
-ATOM   1135  C   GLU A 187      41.370 138.173 -10.179  1.00 20.35           C  
-ATOM   1136  O   GLU A 187      41.339 138.452  -8.978  1.00 19.31           O  
-ATOM   1137  CB  GLU A 187      43.473 138.418 -11.534  1.00 25.02           C  
-ATOM   1138  CG  GLU A 187      44.093 139.477 -10.640  1.00 34.73           C  
-ATOM   1139  CD  GLU A 187      45.024 140.437 -11.392  1.00 40.26           C  
-ATOM   1140  OE1 GLU A 187      46.059 139.984 -11.937  1.00 43.11           O  
-ATOM   1141  OE2 GLU A 187      44.726 141.652 -11.421  1.00 43.94           O  
-ATOM   1142  N   PHE A 188      40.386 138.500 -11.014  1.00 19.23           N  
-ATOM   1143  CA  PHE A 188      39.190 139.186 -10.537  1.00 17.33           C  
-ATOM   1144  C   PHE A 188      38.471 138.314  -9.500  1.00 16.46           C  
-ATOM   1145  O   PHE A 188      38.118 138.783  -8.412  1.00 15.36           O  
-ATOM   1146  CB  PHE A 188      38.230 139.500 -11.694  1.00 18.03           C  
-ATOM   1147  CG  PHE A 188      36.855 139.913 -11.231  1.00 18.34           C  
-ATOM   1148  CD1 PHE A 188      36.655 141.153 -10.622  1.00 17.61           C  
-ATOM   1149  CD2 PHE A 188      35.770 139.031 -11.338  1.00 17.95           C  
-ATOM   1150  CE1 PHE A 188      35.397 141.509 -10.120  1.00 18.53           C  
-ATOM   1151  CE2 PHE A 188      34.508 139.380 -10.838  1.00 16.86           C  
-ATOM   1152  CZ  PHE A 188      34.323 140.614 -10.230  1.00 16.89           C  
-ATOM   1153  N   ILE A 189      38.269 137.044  -9.825  1.00 15.15           N  
-ATOM   1154  CA  ILE A 189      37.585 136.149  -8.899  1.00 16.50           C  
-ATOM   1155  C   ILE A 189      38.364 136.045  -7.582  1.00 17.04           C  
-ATOM   1156  O   ILE A 189      37.773 136.126  -6.501  1.00 18.57           O  
-ATOM   1157  CB  ILE A 189      37.370 134.754  -9.518  1.00 15.47           C  
-ATOM   1158  CG1 ILE A 189      36.577 134.883 -10.820  1.00 13.37           C  
-ATOM   1159  CG2 ILE A 189      36.632 133.832  -8.522  1.00 14.32           C  
-ATOM   1160  CD1 ILE A 189      36.649 133.657 -11.684  1.00 12.96           C  
-ATOM   1161  N   ALA A 190      39.685 135.905  -7.663  1.00 16.31           N  
-ATOM   1162  CA  ALA A 190      40.498 135.821  -6.460  1.00 16.34           C  
-ATOM   1163  C   ALA A 190      40.258 137.043  -5.562  1.00 17.01           C  
-ATOM   1164  O   ALA A 190      40.269 136.938  -4.334  1.00 17.06           O  
-ATOM   1165  CB  ALA A 190      41.974 135.708  -6.825  1.00 14.24           C  
-ATOM   1166  N   ASP A 191      40.013 138.205  -6.167  1.00 17.26           N  
-ATOM   1167  CA  ASP A 191      39.772 139.409  -5.379  1.00 17.97           C  
-ATOM   1168  C   ASP A 191      38.433 139.322  -4.648  1.00 17.29           C  
-ATOM   1169  O   ASP A 191      38.319 139.706  -3.479  1.00 16.17           O  
-ATOM   1170  CB  ASP A 191      39.803 140.664  -6.242  1.00 18.85           C  
-ATOM   1171  CG  ASP A 191      39.662 141.921  -5.407  1.00 22.99           C  
-ATOM   1172  OD1 ASP A 191      40.599 142.226  -4.648  1.00 26.69           O  
-ATOM   1173  OD2 ASP A 191      38.602 142.576  -5.449  1.00 23.52           O  
-ATOM   1174  N   ILE A 192      37.417 138.826  -5.342  1.00 16.95           N  
-ATOM   1175  CA  ILE A 192      36.107 138.675  -4.730  1.00 16.48           C  
-ATOM   1176  C   ILE A 192      36.234 137.670  -3.584  1.00 16.66           C  
-ATOM   1177  O   ILE A 192      35.779 137.941  -2.469  1.00 18.23           O  
-ATOM   1178  CB  ILE A 192      35.053 138.179  -5.756  1.00 16.92           C  
-ATOM   1179  CG1 ILE A 192      34.837 139.244  -6.837  1.00 16.20           C  
-ATOM   1180  CG2 ILE A 192      33.728 137.847  -5.054  1.00 15.84           C  
-ATOM   1181  CD1 ILE A 192      34.307 140.563  -6.306  1.00 15.97           C  
-ATOM   1182  N   LEU A 193      36.904 136.546  -3.839  1.00 16.04           N  
-ATOM   1183  CA  LEU A 193      37.086 135.510  -2.824  1.00 16.45           C  
-ATOM   1184  C   LEU A 193      37.962 136.009  -1.690  1.00 18.54           C  
-ATOM   1185  O   LEU A 193      37.920 135.491  -0.572  1.00 18.08           O  
-ATOM   1186  CB  LEU A 193      37.669 134.234  -3.434  1.00 15.29           C  
-ATOM   1187  CG  LEU A 193      36.733 133.557  -4.437  1.00 15.81           C  
-ATOM   1188  CD1 LEU A 193      37.466 132.439  -5.183  1.00 15.28           C  
-ATOM   1189  CD2 LEU A 193      35.471 133.039  -3.710  1.00 13.03           C  
-ATOM   1190  N   ASN A 194      38.769 137.021  -1.967  1.00 19.64           N  
-ATOM   1191  CA  ASN A 194      39.592 137.569  -0.918  1.00 20.22           C  
-ATOM   1192  C   ASN A 194      38.698 138.289   0.098  1.00 20.92           C  
-ATOM   1193  O   ASN A 194      39.056 138.424   1.272  1.00 21.23           O  
-ATOM   1194  CB  ASN A 194      40.614 138.534  -1.490  1.00 22.57           C  
-ATOM   1195  CG  ASN A 194      41.601 138.977  -0.459  1.00 25.91           C  
-ATOM   1196  OD1 ASN A 194      42.360 138.163   0.082  1.00 27.37           O  
-ATOM   1197  ND2 ASN A 194      41.578 140.260  -0.136  1.00 27.71           N  
-ATOM   1198  N   GLN A 195      37.535 138.754  -0.351  1.00 19.20           N  
-ATOM   1199  CA  GLN A 195      36.604 139.444   0.532  1.00 18.27           C  
-ATOM   1200  C   GLN A 195      35.604 138.491   1.185  1.00 19.82           C  
-ATOM   1201  O   GLN A 195      35.170 138.722   2.312  1.00 19.77           O  
-ATOM   1202  CB  GLN A 195      35.889 140.537  -0.234  1.00 19.52           C  
-ATOM   1203  CG  GLN A 195      36.838 141.604  -0.726  1.00 21.84           C  
-ATOM   1204  CD  GLN A 195      36.244 142.406  -1.847  1.00 24.40           C  
-ATOM   1205  OE1 GLN A 195      35.271 143.127  -1.653  1.00 24.88           O  
-ATOM   1206  NE2 GLN A 195      36.801 142.257  -3.042  1.00 24.40           N  
-ATOM   1207  N   ASP A 196      35.227 137.434   0.470  1.00 19.31           N  
-ATOM   1208  CA  ASP A 196      34.303 136.409   0.981  1.00 18.43           C  
-ATOM   1209  C   ASP A 196      34.779 135.126   0.305  1.00 17.48           C  
-ATOM   1210  O   ASP A 196      34.441 134.847  -0.856  1.00 16.75           O  
-ATOM   1211  CB  ASP A 196      32.849 136.743   0.606  1.00 17.81           C  
-ATOM   1212  CG  ASP A 196      31.850 135.651   1.005  1.00 19.33           C  
-ATOM   1213  OD1 ASP A 196      30.646 135.859   0.758  1.00 22.20           O  
-ATOM   1214  OD2 ASP A 196      32.236 134.587   1.539  1.00 18.29           O  
-ATOM   1215  N   ALA A 197      35.562 134.349   1.046  1.00 15.94           N  
-ATOM   1216  CA  ALA A 197      36.163 133.129   0.527  1.00 15.06           C  
-ATOM   1217  C   ALA A 197      35.205 132.000   0.161  1.00 15.11           C  
-ATOM   1218  O   ALA A 197      35.629 130.977  -0.379  1.00 14.15           O  
-ATOM   1219  CB  ALA A 197      37.224 132.626   1.509  1.00 15.03           C  
-ATOM   1220  N   LYS A 198      33.918 132.191   0.428  1.00 14.07           N  
-ATOM   1221  CA  LYS A 198      32.943 131.153   0.163  1.00 13.23           C  
-ATOM   1222  C   LYS A 198      31.832 131.605  -0.773  1.00 12.96           C  
-ATOM   1223  O   LYS A 198      30.842 130.892  -0.937  1.00 12.32           O  
-ATOM   1224  CB  LYS A 198      32.353 130.665   1.493  1.00 12.28           C  
-ATOM   1225  CG  LYS A 198      33.410 130.171   2.483  1.00 13.09           C  
-ATOM   1226  CD  LYS A 198      32.788 129.651   3.773  1.00 14.25           C  
-ATOM   1227  CE  LYS A 198      33.851 129.160   4.739  1.00 13.97           C  
-ATOM   1228  NZ  LYS A 198      33.280 128.448   5.927  1.00 12.07           N  
-ATOM   1229  N   ASN A 199      31.980 132.772  -1.397  1.00 12.66           N  
-ATOM   1230  CA  ASN A 199      30.936 133.255  -2.309  1.00 11.96           C  
-ATOM   1231  C   ASN A 199      30.625 132.155  -3.354  1.00 13.74           C  
-ATOM   1232  O   ASN A 199      31.488 131.741  -4.145  1.00 13.07           O  
-ATOM   1233  CB  ASN A 199      31.359 134.563  -2.975  1.00 12.27           C  
-ATOM   1234  CG  ASN A 199      30.278 135.134  -3.869  1.00 13.24           C  
-ATOM   1235  OD1 ASN A 199      29.913 134.533  -4.868  1.00 14.02           O  
-ATOM   1236  ND2 ASN A 199      29.761 136.294  -3.514  1.00 14.45           N  
-ATOM   1237  N   TYR A 200      29.392 131.652  -3.322  1.00 12.86           N  
-ATOM   1238  CA  TYR A 200      28.987 130.557  -4.197  1.00 11.35           C  
-ATOM   1239  C   TYR A 200      29.083 130.898  -5.678  1.00 11.17           C  
-ATOM   1240  O   TYR A 200      29.580 130.098  -6.468  1.00 10.44           O  
-ATOM   1241  CB  TYR A 200      27.567 130.088  -3.834  1.00  9.96           C  
-ATOM   1242  CG  TYR A 200      27.259 128.674  -4.270  1.00 11.89           C  
-ATOM   1243  CD1 TYR A 200      27.370 127.604  -3.372  1.00 12.64           C  
-ATOM   1244  CD2 TYR A 200      26.886 128.395  -5.586  1.00 10.43           C  
-ATOM   1245  CE1 TYR A 200      27.120 126.287  -3.780  1.00 10.81           C  
-ATOM   1246  CE2 TYR A 200      26.638 127.096  -6.004  1.00 10.36           C  
-ATOM   1247  CZ  TYR A 200      26.756 126.044  -5.098  1.00 11.14           C  
-ATOM   1248  OH  TYR A 200      26.507 124.764  -5.535  1.00  9.39           O  
-ATOM   1249  N   HIS A 201      28.641 132.101  -6.043  1.00 12.08           N  
-ATOM   1250  CA  HIS A 201      28.661 132.549  -7.441  1.00 12.37           C  
-ATOM   1251  C   HIS A 201      30.089 132.699  -7.946  1.00 12.19           C  
-ATOM   1252  O   HIS A 201      30.380 132.372  -9.106  1.00 12.45           O  
-ATOM   1253  CB  HIS A 201      27.938 133.889  -7.591  1.00 13.04           C  
-ATOM   1254  CG  HIS A 201      26.555 133.899  -7.022  1.00 12.42           C  
-ATOM   1255  ND1 HIS A 201      25.483 133.322  -7.664  1.00 12.59           N  
-ATOM   1256  CD2 HIS A 201      26.069 134.432  -5.876  1.00 13.20           C  
-ATOM   1257  CE1 HIS A 201      24.391 133.501  -6.940  1.00 14.97           C  
-ATOM   1258  NE2 HIS A 201      24.721 134.173  -5.851  1.00 13.91           N  
-ATOM   1259  N   ALA A 202      30.972 133.183  -7.075  1.00 11.20           N  
-ATOM   1260  CA  ALA A 202      32.373 133.368  -7.433  1.00 12.70           C  
-ATOM   1261  C   ALA A 202      33.018 132.014  -7.758  1.00 13.23           C  
-ATOM   1262  O   ALA A 202      33.652 131.847  -8.806  1.00 12.90           O  
-ATOM   1263  CB  ALA A 202      33.119 134.070  -6.305  1.00 12.11           C  
-ATOM   1264  N   TRP A 203      32.810 131.030  -6.890  1.00 12.74           N  
-ATOM   1265  CA  TRP A 203      33.372 129.702  -7.128  1.00 12.43           C  
-ATOM   1266  C   TRP A 203      32.790 129.064  -8.383  1.00 12.71           C  
-ATOM   1267  O   TRP A 203      33.518 128.426  -9.162  1.00 12.86           O  
-ATOM   1268  CB  TRP A 203      33.140 128.792  -5.919  1.00 12.90           C  
-ATOM   1269  CG  TRP A 203      34.088 129.078  -4.806  1.00 14.62           C  
-ATOM   1270  CD1 TRP A 203      33.795 129.650  -3.599  1.00 13.47           C  
-ATOM   1271  CD2 TRP A 203      35.503 128.825  -4.800  1.00 14.16           C  
-ATOM   1272  NE1 TRP A 203      34.937 129.773  -2.849  1.00 14.57           N  
-ATOM   1273  CE2 TRP A 203      36.001 129.273  -3.557  1.00 14.16           C  
-ATOM   1274  CE3 TRP A 203      36.396 128.267  -5.727  1.00 14.20           C  
-ATOM   1275  CZ2 TRP A 203      37.358 129.182  -3.212  1.00 13.83           C  
-ATOM   1276  CZ3 TRP A 203      37.752 128.178  -5.385  1.00 14.88           C  
-ATOM   1277  CH2 TRP A 203      38.216 128.635  -4.136  1.00 13.52           C  
-ATOM   1278  N   GLN A 204      31.480 129.228  -8.584  1.00 12.15           N  
-ATOM   1279  CA  GLN A 204      30.819 128.653  -9.757  1.00 12.57           C  
-ATOM   1280  C   GLN A 204      31.366 129.271 -11.037  1.00 13.28           C  
-ATOM   1281  O   GLN A 204      31.646 128.568 -12.001  1.00 14.61           O  
-ATOM   1282  CB  GLN A 204      29.310 128.853  -9.689  1.00 13.37           C  
-ATOM   1283  CG  GLN A 204      28.551 128.145 -10.812  1.00 15.50           C  
-ATOM   1284  CD  GLN A 204      27.050 128.135 -10.579  1.00 18.10           C  
-ATOM   1285  OE1 GLN A 204      26.586 127.878  -9.464  1.00 18.54           O  
-ATOM   1286  NE2 GLN A 204      26.285 128.380 -11.628  1.00 14.33           N  
-ATOM   1287  N   HIS A 205      31.554 130.586 -11.028  1.00 12.74           N  
-ATOM   1288  CA  HIS A 205      32.088 131.276 -12.187  1.00 13.99           C  
-ATOM   1289  C   HIS A 205      33.533 130.800 -12.422  1.00 14.84           C  
-ATOM   1290  O   HIS A 205      33.946 130.583 -13.561  1.00 15.31           O  
-ATOM   1291  CB  HIS A 205      32.059 132.783 -11.951  1.00 14.53           C  
-ATOM   1292  CG  HIS A 205      32.454 133.586 -13.150  1.00 16.86           C  
-ATOM   1293  ND1 HIS A 205      31.636 133.731 -14.249  1.00 17.90           N  
-ATOM   1294  CD2 HIS A 205      33.600 134.249 -13.441  1.00 17.98           C  
-ATOM   1295  CE1 HIS A 205      32.262 134.442 -15.170  1.00 20.92           C  
-ATOM   1296  NE2 HIS A 205      33.456 134.768 -14.703  1.00 17.82           N  
-ATOM   1297  N   ARG A 206      34.283 130.624 -11.338  1.00 15.72           N  
-ATOM   1298  CA  ARG A 206      35.665 130.167 -11.415  1.00 14.64           C  
-ATOM   1299  C   ARG A 206      35.742 128.790 -12.075  1.00 15.48           C  
-ATOM   1300  O   ARG A 206      36.572 128.574 -12.971  1.00 15.93           O  
-ATOM   1301  CB  ARG A 206      36.298 130.135 -10.018  1.00 14.85           C  
-ATOM   1302  CG  ARG A 206      37.823 130.173 -10.030  1.00 13.82           C  
-ATOM   1303  CD  ARG A 206      38.426 130.270  -8.628  1.00 14.92           C  
-ATOM   1304  NE  ARG A 206      39.883 130.245  -8.717  1.00 14.82           N  
-ATOM   1305  CZ  ARG A 206      40.663 131.311  -8.869  1.00 17.23           C  
-ATOM   1306  NH1 ARG A 206      40.150 132.538  -8.922  1.00 15.19           N  
-ATOM   1307  NH2 ARG A 206      41.958 131.131  -9.095  1.00 16.40           N  
-ATOM   1308  N   GLN A 207      34.859 127.872 -11.680  1.00 14.15           N  
-ATOM   1309  CA  GLN A 207      34.861 126.537 -12.276  1.00 14.44           C  
-ATOM   1310  C   GLN A 207      34.558 126.601 -13.767  1.00 15.79           C  
-ATOM   1311  O   GLN A 207      35.209 125.919 -14.579  1.00 15.67           O  
-ATOM   1312  CB  GLN A 207      33.870 125.607 -11.570  1.00 14.08           C  
-ATOM   1313  CG  GLN A 207      34.274 125.308 -10.136  1.00 12.87           C  
-ATOM   1314  CD  GLN A 207      33.533 124.128  -9.545  1.00 13.31           C  
-ATOM   1315  OE1 GLN A 207      32.496 123.722 -10.062  1.00 13.72           O  
-ATOM   1316  NE2 GLN A 207      34.070 123.559  -8.464  1.00 10.95           N  
-ATOM   1317  N   TRP A 208      33.592 127.442 -14.131  1.00 14.85           N  
-ATOM   1318  CA  TRP A 208      33.221 127.586 -15.532  1.00 15.21           C  
-ATOM   1319  C   TRP A 208      34.402 128.072 -16.377  1.00 15.20           C  
-ATOM   1320  O   TRP A 208      34.688 127.494 -17.419  1.00 16.00           O  
-ATOM   1321  CB  TRP A 208      32.032 128.544 -15.703  1.00 14.45           C  
-ATOM   1322  CG  TRP A 208      31.787 128.864 -17.152  1.00 15.12           C  
-ATOM   1323  CD1 TRP A 208      31.304 128.015 -18.114  1.00 15.35           C  
-ATOM   1324  CD2 TRP A 208      32.156 130.072 -17.835  1.00 14.77           C  
-ATOM   1325  NE1 TRP A 208      31.371 128.612 -19.349  1.00 15.46           N  
-ATOM   1326  CE2 TRP A 208      31.890 129.874 -19.206  1.00 16.35           C  
-ATOM   1327  CE3 TRP A 208      32.696 131.300 -17.420  1.00 16.04           C  
-ATOM   1328  CZ2 TRP A 208      32.148 130.862 -20.171  1.00 15.84           C  
-ATOM   1329  CZ3 TRP A 208      32.954 132.280 -18.379  1.00 15.47           C  
-ATOM   1330  CH2 TRP A 208      32.679 132.052 -19.738  1.00 14.45           C  
-ATOM   1331  N   VAL A 209      35.051 129.153 -15.949  1.00 15.72           N  
-ATOM   1332  CA  VAL A 209      36.193 129.721 -16.676  1.00 16.75           C  
-ATOM   1333  C   VAL A 209      37.318 128.688 -16.848  1.00 17.17           C  
-ATOM   1334  O   VAL A 209      37.821 128.475 -17.954  1.00 15.75           O  
-ATOM   1335  CB  VAL A 209      36.792 130.962 -15.939  1.00 18.46           C  
-ATOM   1336  CG1 VAL A 209      38.037 131.468 -16.678  1.00 22.14           C  
-ATOM   1337  CG2 VAL A 209      35.778 132.080 -15.865  1.00 21.31           C  
-ATOM   1338  N   ILE A 210      37.694 128.042 -15.748  1.00 16.90           N  
-ATOM   1339  CA  ILE A 210      38.768 127.054 -15.764  1.00 17.34           C  
-ATOM   1340  C   ILE A 210      38.459 125.918 -16.721  1.00 18.69           C  
-ATOM   1341  O   ILE A 210      39.295 125.541 -17.541  1.00 17.10           O  
-ATOM   1342  CB  ILE A 210      39.039 126.508 -14.342  1.00 17.39           C  
-ATOM   1343  CG1 ILE A 210      39.669 127.605 -13.477  1.00 16.21           C  
-ATOM   1344  CG2 ILE A 210      39.922 125.248 -14.392  1.00 17.61           C  
-ATOM   1345  CD1 ILE A 210      39.787 127.227 -12.000  1.00 16.93           C  
-ATOM   1346  N   GLN A 211      37.240 125.403 -16.652  1.00 19.62           N  
-ATOM   1347  CA  GLN A 211      36.841 124.305 -17.510  1.00 21.68           C  
-ATOM   1348  C   GLN A 211      36.689 124.728 -18.973  1.00 22.13           C  
-ATOM   1349  O   GLN A 211      37.189 124.054 -19.874  1.00 21.46           O  
-ATOM   1350  CB  GLN A 211      35.541 123.693 -16.990  1.00 26.00           C  
-ATOM   1351  CG  GLN A 211      35.112 122.446 -17.722  1.00 32.66           C  
-ATOM   1352  CD  GLN A 211      34.618 121.379 -16.769  1.00 37.83           C  
-ATOM   1353  OE1 GLN A 211      33.612 121.565 -16.072  1.00 39.89           O  
-ATOM   1354  NE2 GLN A 211      35.339 120.262 -16.709  1.00 36.66           N  
-ATOM   1355  N   GLU A 212      36.037 125.862 -19.202  1.00 21.11           N  
-ATOM   1356  CA  GLU A 212      35.801 126.370 -20.548  1.00 22.20           C  
-ATOM   1357  C   GLU A 212      37.066 126.786 -21.301  1.00 21.39           C  
-ATOM   1358  O   GLU A 212      37.177 126.562 -22.504  1.00 21.48           O  
-ATOM   1359  CB  GLU A 212      34.824 127.550 -20.493  1.00 22.77           C  
-ATOM   1360  CG  GLU A 212      34.428 128.127 -21.847  1.00 26.64           C  
-ATOM   1361  CD  GLU A 212      33.714 127.125 -22.742  1.00 30.04           C  
-ATOM   1362  OE1 GLU A 212      33.823 127.251 -23.973  1.00 33.28           O  
-ATOM   1363  OE2 GLU A 212      33.037 126.209 -22.232  1.00 32.55           O  
-ATOM   1364  N   PHE A 213      38.005 127.406 -20.601  1.00 20.52           N  
-ATOM   1365  CA  PHE A 213      39.234 127.875 -21.226  1.00 20.62           C  
-ATOM   1366  C   PHE A 213      40.467 127.068 -20.846  1.00 21.94           C  
-ATOM   1367  O   PHE A 213      41.595 127.479 -21.137  1.00 21.17           O  
-ATOM   1368  CB  PHE A 213      39.430 129.358 -20.908  1.00 20.61           C  
-ATOM   1369  CG  PHE A 213      38.321 130.230 -21.431  1.00 21.84           C  
-ATOM   1370  CD1 PHE A 213      37.219 130.529 -20.636  1.00 22.17           C  
-ATOM   1371  CD2 PHE A 213      38.364 130.727 -22.732  1.00 22.51           C  
-ATOM   1372  CE1 PHE A 213      36.170 131.312 -21.128  1.00 21.47           C  
-ATOM   1373  CE2 PHE A 213      37.322 131.513 -23.241  1.00 23.39           C  
-ATOM   1374  CZ  PHE A 213      36.222 131.807 -22.436  1.00 24.00           C  
-ATOM   1375  N   LYS A 214      40.236 125.920 -20.205  1.00 21.55           N  
-ATOM   1376  CA  LYS A 214      41.289 125.001 -19.769  1.00 23.11           C  
-ATOM   1377  C   LYS A 214      42.391 125.685 -18.982  1.00 23.19           C  
-ATOM   1378  O   LYS A 214      43.566 125.560 -19.316  1.00 23.50           O  
-ATOM   1379  CB  LYS A 214      41.895 124.264 -20.969  1.00 26.42           C  
-ATOM   1380  CG  LYS A 214      40.865 123.683 -21.912  1.00 32.07           C  
-ATOM   1381  CD  LYS A 214      41.511 123.169 -23.189  1.00 39.31           C  
-ATOM   1382  CE  LYS A 214      40.458 122.738 -24.209  1.00 42.90           C  
-ATOM   1383  NZ  LYS A 214      39.578 121.650 -23.674  1.00 46.11           N  
-ATOM   1384  N   LEU A 215      42.018 126.405 -17.933  1.00 21.24           N  
-ATOM   1385  CA  LEU A 215      42.995 127.097 -17.104  1.00 21.34           C  
-ATOM   1386  C   LEU A 215      43.256 126.298 -15.818  1.00 21.50           C  
-ATOM   1387  O   LEU A 215      43.089 126.811 -14.709  1.00 21.35           O  
-ATOM   1388  CB  LEU A 215      42.484 128.502 -16.776  1.00 20.58           C  
-ATOM   1389  CG  LEU A 215      42.192 129.369 -18.001  1.00 23.02           C  
-ATOM   1390  CD1 LEU A 215      41.626 130.711 -17.575  1.00 22.36           C  
-ATOM   1391  CD2 LEU A 215      43.477 129.549 -18.798  1.00 22.95           C  
-ATOM   1392  N   TRP A 216      43.692 125.051 -15.973  1.00 21.20           N  
-ATOM   1393  CA  TRP A 216      43.939 124.168 -14.829  1.00 21.26           C  
-ATOM   1394  C   TRP A 216      45.284 124.318 -14.133  1.00 23.07           C  
-ATOM   1395  O   TRP A 216      45.411 124.071 -12.928  1.00 24.36           O  
-ATOM   1396  CB  TRP A 216      43.822 122.708 -15.269  1.00 21.12           C  
-ATOM   1397  CG  TRP A 216      42.534 122.361 -15.926  1.00 20.10           C  
-ATOM   1398  CD1 TRP A 216      42.295 122.268 -17.266  1.00 18.64           C  
-ATOM   1399  CD2 TRP A 216      41.290 122.081 -15.273  1.00 19.38           C  
-ATOM   1400  NE1 TRP A 216      40.978 121.953 -17.491  1.00 19.91           N  
-ATOM   1401  CE2 TRP A 216      40.335 121.833 -16.285  1.00 19.84           C  
-ATOM   1402  CE3 TRP A 216      40.888 122.023 -13.929  1.00 19.74           C  
-ATOM   1403  CZ2 TRP A 216      38.995 121.530 -16.001  1.00 19.73           C  
-ATOM   1404  CZ3 TRP A 216      39.552 121.723 -13.644  1.00 18.82           C  
-ATOM   1405  CH2 TRP A 216      38.624 121.481 -14.680  1.00 20.03           C  
-ATOM   1406  N   ASP A 217      46.282 124.743 -14.892  1.00 24.59           N  
-ATOM   1407  CA  ASP A 217      47.656 124.850 -14.413  1.00 25.09           C  
-ATOM   1408  C   ASP A 217      47.995 125.324 -13.005  1.00 24.36           C  
-ATOM   1409  O   ASP A 217      48.833 124.715 -12.350  1.00 25.08           O  
-ATOM   1410  CB  ASP A 217      48.511 125.620 -15.428  1.00 29.10           C  
-ATOM   1411  CG  ASP A 217      48.669 124.881 -16.765  1.00 31.91           C  
-ATOM   1412  OD1 ASP A 217      49.338 125.443 -17.652  1.00 37.39           O  
-ATOM   1413  OD2 ASP A 217      48.143 123.761 -16.949  1.00 32.17           O  
-ATOM   1414  N   ASN A 218      47.372 126.385 -12.518  1.00 21.73           N  
-ATOM   1415  CA  ASN A 218      47.741 126.884 -11.197  1.00 21.27           C  
-ATOM   1416  C   ASN A 218      46.668 126.783 -10.140  1.00 19.87           C  
-ATOM   1417  O   ASN A 218      46.840 127.305  -9.029  1.00 18.49           O  
-ATOM   1418  CB  ASN A 218      48.178 128.346 -11.309  1.00 24.51           C  
-ATOM   1419  CG  ASN A 218      49.293 128.532 -12.310  1.00 27.42           C  
-ATOM   1420  OD1 ASN A 218      50.398 128.051 -12.099  1.00 28.69           O  
-ATOM   1421  ND2 ASN A 218      48.991 129.167 -13.434  1.00 27.46           N  
-ATOM   1422  N   GLU A 219      45.587 126.074 -10.448  1.00 19.45           N  
-ATOM   1423  CA  GLU A 219      44.494 125.997  -9.496  1.00 18.91           C  
-ATOM   1424  C   GLU A 219      44.757 125.190  -8.225  1.00 19.34           C  
-ATOM   1425  O   GLU A 219      44.272 125.568  -7.157  1.00 19.48           O  
-ATOM   1426  CB  GLU A 219      43.190 125.582 -10.184  1.00 18.62           C  
-ATOM   1427  CG  GLU A 219      41.924 125.824  -9.343  1.00 16.74           C  
-ATOM   1428  CD  GLU A 219      41.603 127.301  -9.063  1.00 18.64           C  
-ATOM   1429  OE1 GLU A 219      42.389 128.212  -9.414  1.00 16.25           O  
-ATOM   1430  OE2 GLU A 219      40.528 127.550  -8.474  1.00 18.22           O  
-ATOM   1431  N   LEU A 220      45.545 124.120  -8.305  1.00 19.60           N  
-ATOM   1432  CA  LEU A 220      45.825 123.336  -7.103  1.00 19.80           C  
-ATOM   1433  C   LEU A 220      46.650 124.171  -6.126  1.00 19.83           C  
-ATOM   1434  O   LEU A 220      46.465 124.075  -4.908  1.00 19.57           O  
-ATOM   1435  CB  LEU A 220      46.520 122.013  -7.435  1.00 21.04           C  
-ATOM   1436  CG  LEU A 220      46.598 121.005  -6.280  1.00 22.71           C  
-ATOM   1437  CD1 LEU A 220      45.201 120.721  -5.700  1.00 21.74           C  
-ATOM   1438  CD2 LEU A 220      47.220 119.713  -6.781  1.00 22.47           C  
-ATOM   1439  N   GLN A 221      47.534 125.015  -6.655  1.00 20.40           N  
-ATOM   1440  CA  GLN A 221      48.339 125.894  -5.801  1.00 21.67           C  
-ATOM   1441  C   GLN A 221      47.410 126.899  -5.139  1.00 19.15           C  
-ATOM   1442  O   GLN A 221      47.623 127.263  -3.989  1.00 19.29           O  
-ATOM   1443  CB  GLN A 221      49.361 126.698  -6.602  1.00 24.84           C  
-ATOM   1444  CG  GLN A 221      50.309 125.897  -7.433  1.00 33.56           C  
-ATOM   1445  CD  GLN A 221      50.976 126.766  -8.490  1.00 39.15           C  
-ATOM   1446  OE1 GLN A 221      51.464 127.867  -8.182  1.00 40.09           O  
-ATOM   1447  NE2 GLN A 221      50.963 126.301  -9.748  1.00 36.65           N  
-ATOM   1448  N   TYR A 222      46.430 127.403  -5.894  1.00 18.17           N  
-ATOM   1449  CA  TYR A 222      45.465 128.373  -5.351  1.00 18.23           C  
-ATOM   1450  C   TYR A 222      44.653 127.712  -4.221  1.00 17.89           C  
-ATOM   1451  O   TYR A 222      44.444 128.301  -3.153  1.00 17.64           O  
-ATOM   1452  CB  TYR A 222      44.531 128.897  -6.452  1.00 17.59           C  
-ATOM   1453  CG  TYR A 222      43.572 129.967  -5.971  1.00 18.70           C  
-ATOM   1454  CD1 TYR A 222      44.045 131.197  -5.505  1.00 19.22           C  
-ATOM   1455  CD2 TYR A 222      42.190 129.747  -5.961  1.00 19.33           C  
-ATOM   1456  CE1 TYR A 222      43.164 132.183  -5.035  1.00 19.16           C  
-ATOM   1457  CE2 TYR A 222      41.301 130.730  -5.496  1.00 17.71           C  
-ATOM   1458  CZ  TYR A 222      41.799 131.939  -5.037  1.00 17.58           C  
-ATOM   1459  OH  TYR A 222      40.943 132.912  -4.591  1.00 16.69           O  
-ATOM   1460  N   VAL A 223      44.215 126.480  -4.469  1.00 17.15           N  
-ATOM   1461  CA  VAL A 223      43.481 125.698  -3.483  1.00 18.38           C  
-ATOM   1462  C   VAL A 223      44.352 125.547  -2.215  1.00 19.59           C  
-ATOM   1463  O   VAL A 223      43.896 125.826  -1.099  1.00 18.76           O  
-ATOM   1464  CB  VAL A 223      43.096 124.295  -4.065  1.00 17.09           C  
-ATOM   1465  CG1 VAL A 223      42.672 123.336  -2.959  1.00 14.47           C  
-ATOM   1466  CG2 VAL A 223      41.965 124.450  -5.097  1.00 13.92           C  
-ATOM   1467  N   ASP A 224      45.616 125.160  -2.394  1.00 20.66           N  
-ATOM   1468  CA  ASP A 224      46.534 124.993  -1.262  1.00 20.60           C  
-ATOM   1469  C   ASP A 224      46.722 126.270  -0.447  1.00 19.89           C  
-ATOM   1470  O   ASP A 224      46.801 126.220   0.784  1.00 19.90           O  
-ATOM   1471  CB  ASP A 224      47.890 124.485  -1.744  1.00 21.85           C  
-ATOM   1472  CG  ASP A 224      47.849 123.047  -2.170  1.00 25.36           C  
-ATOM   1473  OD1 ASP A 224      46.976 122.305  -1.673  1.00 27.11           O  
-ATOM   1474  OD2 ASP A 224      48.696 122.648  -2.995  1.00 26.87           O  
-ATOM   1475  N   GLN A 225      46.788 127.413  -1.122  1.00 19.47           N  
-ATOM   1476  CA  GLN A 225      46.954 128.673  -0.413  1.00 20.06           C  
-ATOM   1477  C   GLN A 225      45.723 128.985   0.432  1.00 18.90           C  
-ATOM   1478  O   GLN A 225      45.848 129.378   1.595  1.00 19.12           O  
-ATOM   1479  CB  GLN A 225      47.237 129.824  -1.379  1.00 21.75           C  
-ATOM   1480  CG  GLN A 225      47.496 131.152  -0.664  1.00 28.42           C  
-ATOM   1481  CD  GLN A 225      48.456 131.031   0.533  1.00 34.93           C  
-ATOM   1482  OE1 GLN A 225      49.547 130.442   0.429  1.00 37.53           O  
-ATOM   1483  NE2 GLN A 225      48.053 131.593   1.672  1.00 34.80           N  
-ATOM   1484  N   LEU A 226      44.542 128.818  -0.159  1.00 17.07           N  
-ATOM   1485  CA  LEU A 226      43.293 129.075   0.550  1.00 16.92           C  
-ATOM   1486  C   LEU A 226      43.040 128.081   1.682  1.00 16.39           C  
-ATOM   1487  O   LEU A 226      42.408 128.440   2.675  1.00 17.45           O  
-ATOM   1488  CB  LEU A 226      42.101 129.119  -0.406  1.00 16.16           C  
-ATOM   1489  CG  LEU A 226      41.994 130.297  -1.386  1.00 19.60           C  
-ATOM   1490  CD1 LEU A 226      40.532 130.461  -1.779  1.00 17.76           C  
-ATOM   1491  CD2 LEU A 226      42.491 131.591  -0.780  1.00 18.19           C  
-ATOM   1492  N   LEU A 227      43.518 126.841   1.544  1.00 16.84           N  
-ATOM   1493  CA  LEU A 227      43.356 125.857   2.617  1.00 17.30           C  
-ATOM   1494  C   LEU A 227      44.289 126.235   3.768  1.00 19.84           C  
-ATOM   1495  O   LEU A 227      43.981 125.992   4.942  1.00 19.52           O  
-ATOM   1496  CB  LEU A 227      43.639 124.433   2.138  1.00 15.57           C  
-ATOM   1497  CG  LEU A 227      42.475 123.780   1.394  1.00 16.86           C  
-ATOM   1498  CD1 LEU A 227      42.850 122.383   0.926  1.00 18.90           C  
-ATOM   1499  CD2 LEU A 227      41.233 123.744   2.287  1.00 16.64           C  
-ATOM   1500  N   LYS A 228      45.421 126.854   3.436  1.00 20.94           N  
-ATOM   1501  CA  LYS A 228      46.351 127.280   4.468  1.00 22.74           C  
-ATOM   1502  C   LYS A 228      45.714 128.430   5.231  1.00 21.46           C  
-ATOM   1503  O   LYS A 228      45.868 128.530   6.440  1.00 22.08           O  
-ATOM   1504  CB  LYS A 228      47.697 127.707   3.885  1.00 26.30           C  
-ATOM   1505  CG  LYS A 228      48.675 128.125   4.974  1.00 35.12           C  
-ATOM   1506  CD  LYS A 228      50.027 128.605   4.430  1.00 41.74           C  
-ATOM   1507  CE  LYS A 228      50.952 129.061   5.570  1.00 44.24           C  
-ATOM   1508  NZ  LYS A 228      51.155 127.979   6.595  1.00 47.13           N  
-ATOM   1509  N   GLU A 229      44.974 129.282   4.531  1.00 20.39           N  
-ATOM   1510  CA  GLU A 229      44.298 130.413   5.172  1.00 20.88           C  
-ATOM   1511  C   GLU A 229      43.122 129.968   6.046  1.00 20.18           C  
-ATOM   1512  O   GLU A 229      42.930 130.492   7.143  1.00 20.99           O  
-ATOM   1513  CB  GLU A 229      43.842 131.428   4.131  1.00 21.85           C  
-ATOM   1514  CG  GLU A 229      45.006 132.182   3.510  1.00 26.46           C  
-ATOM   1515  CD  GLU A 229      44.614 133.024   2.308  1.00 30.05           C  
-ATOM   1516  OE1 GLU A 229      43.401 133.178   2.035  1.00 30.73           O  
-ATOM   1517  OE2 GLU A 229      45.531 133.531   1.627  1.00 31.00           O  
-ATOM   1518  N   ASP A 230      42.327 129.023   5.556  1.00 17.75           N  
-ATOM   1519  CA  ASP A 230      41.207 128.501   6.330  1.00 16.54           C  
-ATOM   1520  C   ASP A 230      40.939 127.078   5.872  1.00 16.93           C  
-ATOM   1521  O   ASP A 230      40.241 126.840   4.878  1.00 16.44           O  
-ATOM   1522  CB  ASP A 230      39.950 129.368   6.193  1.00 15.71           C  
-ATOM   1523  CG  ASP A 230      38.819 128.919   7.138  1.00 17.22           C  
-ATOM   1524  OD1 ASP A 230      38.958 127.864   7.811  1.00 16.18           O  
-ATOM   1525  OD2 ASP A 230      37.788 129.625   7.207  1.00 17.66           O  
-ATOM   1526  N   VAL A 231      41.487 126.138   6.636  1.00 15.14           N  
-ATOM   1527  CA  VAL A 231      41.370 124.722   6.354  1.00 14.73           C  
-ATOM   1528  C   VAL A 231      39.915 124.219   6.477  1.00 14.34           C  
-ATOM   1529  O   VAL A 231      39.575 123.139   5.991  1.00 14.48           O  
-ATOM   1530  CB  VAL A 231      42.387 123.920   7.241  1.00 14.66           C  
-ATOM   1531  CG1 VAL A 231      41.938 123.879   8.690  1.00 13.25           C  
-ATOM   1532  CG2 VAL A 231      42.623 122.534   6.671  1.00 16.04           C  
-ATOM   1533  N   ARG A 232      39.049 125.023   7.085  1.00 13.33           N  
-ATOM   1534  CA  ARG A 232      37.640 124.642   7.227  1.00 13.83           C  
-ATOM   1535  C   ARG A 232      36.791 125.159   6.059  1.00 14.27           C  
-ATOM   1536  O   ARG A 232      35.563 125.008   6.065  1.00 14.77           O  
-ATOM   1537  CB  ARG A 232      37.062 125.198   8.531  1.00 12.69           C  
-ATOM   1538  CG  ARG A 232      37.723 124.685   9.788  1.00 12.68           C  
-ATOM   1539  CD  ARG A 232      37.096 125.321  11.011  1.00 11.84           C  
-ATOM   1540  NE  ARG A 232      37.629 124.748  12.250  1.00 15.58           N  
-ATOM   1541  CZ  ARG A 232      38.671 125.236  12.921  1.00 14.79           C  
-ATOM   1542  NH1 ARG A 232      39.318 126.314  12.480  1.00 12.36           N  
-ATOM   1543  NH2 ARG A 232      39.019 124.687  14.077  1.00 13.91           N  
-ATOM   1544  N   ASN A 233      37.420 125.782   5.066  1.00 13.52           N  
-ATOM   1545  CA  ASN A 233      36.658 126.326   3.949  1.00 13.15           C  
-ATOM   1546  C   ASN A 233      36.199 125.217   3.013  1.00 12.63           C  
-ATOM   1547  O   ASN A 233      36.947 124.773   2.129  1.00 13.48           O  
-ATOM   1548  CB  ASN A 233      37.470 127.387   3.211  1.00 12.62           C  
-ATOM   1549  CG  ASN A 233      36.660 128.108   2.155  1.00 15.39           C  
-ATOM   1550  OD1 ASN A 233      35.668 127.578   1.654  1.00 15.33           O  
-ATOM   1551  ND2 ASN A 233      37.094 129.310   1.785  1.00 13.22           N  
-ATOM   1552  N   ASN A 234      34.950 124.792   3.189  1.00 12.27           N  
-ATOM   1553  CA  ASN A 234      34.397 123.711   2.383  1.00 11.98           C  
-ATOM   1554  C   ASN A 234      34.378 123.988   0.876  1.00 11.68           C  
-ATOM   1555  O   ASN A 234      34.448 123.056   0.067  1.00 11.34           O  
-ATOM   1556  CB  ASN A 234      32.997 123.357   2.861  1.00 11.72           C  
-ATOM   1557  CG  ASN A 234      32.564 121.997   2.394  1.00 12.73           C  
-ATOM   1558  OD1 ASN A 234      33.122 120.985   2.816  1.00 13.55           O  
-ATOM   1559  ND2 ASN A 234      31.527 121.951   1.572  1.00 10.42           N  
-ATOM   1560  N   SER A 235      34.246 125.255   0.497  1.00 10.48           N  
-ATOM   1561  CA  SER A 235      34.253 125.621  -0.916  1.00 11.53           C  
-ATOM   1562  C   SER A 235      35.608 125.279  -1.557  1.00 12.76           C  
-ATOM   1563  O   SER A 235      35.669 124.940  -2.742  1.00 12.27           O  
-ATOM   1564  CB  SER A 235      33.991 127.113  -1.077  1.00 10.13           C  
-ATOM   1565  OG  SER A 235      32.690 127.442  -0.631  1.00 12.66           O  
-ATOM   1566  N   VAL A 236      36.682 125.389  -0.773  1.00 12.73           N  
-ATOM   1567  CA  VAL A 236      38.034 125.100  -1.252  1.00 13.36           C  
-ATOM   1568  C   VAL A 236      38.270 123.597  -1.378  1.00 13.75           C  
-ATOM   1569  O   VAL A 236      38.906 123.150  -2.330  1.00 14.31           O  
-ATOM   1570  CB  VAL A 236      39.098 125.767  -0.360  1.00 13.97           C  
-ATOM   1571  CG1 VAL A 236      40.489 125.476  -0.893  1.00 15.86           C  
-ATOM   1572  CG2 VAL A 236      38.868 127.281  -0.337  1.00 13.25           C  
-ATOM   1573  N   TRP A 237      37.765 122.812  -0.428  1.00 12.03           N  
-ATOM   1574  CA  TRP A 237      37.893 121.358  -0.524  1.00 12.08           C  
-ATOM   1575  C   TRP A 237      37.110 120.902  -1.752  1.00 11.39           C  
-ATOM   1576  O   TRP A 237      37.505 119.968  -2.446  1.00 12.84           O  
-ATOM   1577  CB  TRP A 237      37.355 120.661   0.736  1.00 12.26           C  
-ATOM   1578  CG  TRP A 237      38.295 120.755   1.917  1.00 12.84           C  
-ATOM   1579  CD1 TRP A 237      38.227 121.644   2.949  1.00 12.50           C  
-ATOM   1580  CD2 TRP A 237      39.429 119.914   2.185  1.00 11.31           C  
-ATOM   1581  NE1 TRP A 237      39.244 121.410   3.843  1.00 13.79           N  
-ATOM   1582  CE2 TRP A 237      39.997 120.350   3.401  1.00 12.60           C  
-ATOM   1583  CE3 TRP A 237      40.016 118.834   1.516  1.00 12.15           C  
-ATOM   1584  CZ2 TRP A 237      41.119 119.748   3.967  1.00 12.47           C  
-ATOM   1585  CZ3 TRP A 237      41.136 118.229   2.074  1.00 12.80           C  
-ATOM   1586  CH2 TRP A 237      41.675 118.690   3.291  1.00 13.76           C  
-ATOM   1587  N   ASN A 238      35.980 121.550  -2.019  1.00 11.47           N  
-ATOM   1588  CA  ASN A 238      35.198 121.201  -3.200  1.00 12.53           C  
-ATOM   1589  C   ASN A 238      36.014 121.511  -4.463  1.00 12.59           C  
-ATOM   1590  O   ASN A 238      36.020 120.730  -5.412  1.00 13.15           O  
-ATOM   1591  CB  ASN A 238      33.873 121.969  -3.253  1.00 12.15           C  
-ATOM   1592  CG  ASN A 238      33.070 121.617  -4.484  1.00 13.60           C  
-ATOM   1593  OD1 ASN A 238      32.549 120.506  -4.596  1.00 14.74           O  
-ATOM   1594  ND2 ASN A 238      33.027 122.523  -5.448  1.00 12.90           N  
-ATOM   1595  N   GLN A 239      36.701 122.649  -4.474  1.00 12.62           N  
-ATOM   1596  CA  GLN A 239      37.518 123.027  -5.626  1.00 12.49           C  
-ATOM   1597  C   GLN A 239      38.667 122.029  -5.803  1.00 13.42           C  
-ATOM   1598  O   GLN A 239      39.053 121.709  -6.922  1.00 13.84           O  
-ATOM   1599  CB  GLN A 239      38.075 124.428  -5.445  1.00 13.29           C  
-ATOM   1600  CG  GLN A 239      38.698 125.015  -6.722  1.00 14.51           C  
-ATOM   1601  CD  GLN A 239      37.671 125.492  -7.746  1.00 17.25           C  
-ATOM   1602  OE1 GLN A 239      38.008 126.216  -8.688  1.00 20.22           O  
-ATOM   1603  NE2 GLN A 239      36.417 125.132  -7.548  1.00 13.60           N  
-ATOM   1604  N   ARG A 240      39.213 121.550  -4.690  1.00 13.46           N  
-ATOM   1605  CA  ARG A 240      40.298 120.581  -4.728  1.00 13.23           C  
-ATOM   1606  C   ARG A 240      39.814 119.337  -5.492  1.00 14.44           C  
-ATOM   1607  O   ARG A 240      40.483 118.845  -6.405  1.00 15.21           O  
-ATOM   1608  CB  ARG A 240      40.718 120.212  -3.305  1.00 12.70           C  
-ATOM   1609  CG  ARG A 240      41.988 119.413  -3.269  1.00 13.55           C  
-ATOM   1610  CD  ARG A 240      42.456 119.058  -1.877  1.00 14.48           C  
-ATOM   1611  NE  ARG A 240      43.765 118.431  -2.014  1.00 17.29           N  
-ATOM   1612  CZ  ARG A 240      44.913 119.099  -2.059  1.00 18.35           C  
-ATOM   1613  NH1 ARG A 240      44.922 120.416  -1.923  1.00 16.17           N  
-ATOM   1614  NH2 ARG A 240      46.023 118.476  -2.423  1.00 17.26           N  
-ATOM   1615  N   TYR A 241      38.619 118.861  -5.164  1.00 13.86           N  
-ATOM   1616  CA  TYR A 241      38.084 117.698  -5.849  1.00 13.61           C  
-ATOM   1617  C   TYR A 241      37.859 118.025  -7.328  1.00 14.32           C  
-ATOM   1618  O   TYR A 241      38.134 117.206  -8.216  1.00 13.87           O  
-ATOM   1619  CB  TYR A 241      36.768 117.224  -5.201  1.00 14.44           C  
-ATOM   1620  CG  TYR A 241      36.313 115.898  -5.758  1.00 14.57           C  
-ATOM   1621  CD1 TYR A 241      36.640 114.698  -5.115  1.00 14.68           C  
-ATOM   1622  CD2 TYR A 241      35.646 115.832  -6.986  1.00 15.33           C  
-ATOM   1623  CE1 TYR A 241      36.321 113.468  -5.688  1.00 15.78           C  
-ATOM   1624  CE2 TYR A 241      35.330 114.608  -7.567  1.00 16.92           C  
-ATOM   1625  CZ  TYR A 241      35.673 113.437  -6.911  1.00 16.06           C  
-ATOM   1626  OH  TYR A 241      35.375 112.246  -7.498  1.00 17.75           O  
-ATOM   1627  N   PHE A 242      37.351 119.222  -7.589  1.00 14.04           N  
-ATOM   1628  CA  PHE A 242      37.075 119.654  -8.953  1.00 13.98           C  
-ATOM   1629  C   PHE A 242      38.358 119.639  -9.793  1.00 14.44           C  
-ATOM   1630  O   PHE A 242      38.397 119.069 -10.888  1.00 15.14           O  
-ATOM   1631  CB  PHE A 242      36.436 121.051  -8.917  1.00 14.83           C  
-ATOM   1632  CG  PHE A 242      36.300 121.697 -10.263  1.00 16.75           C  
-ATOM   1633  CD1 PHE A 242      35.299 121.291 -11.148  1.00 17.12           C  
-ATOM   1634  CD2 PHE A 242      37.178 122.715 -10.648  1.00 17.22           C  
-ATOM   1635  CE1 PHE A 242      35.172 121.889 -12.398  1.00 18.88           C  
-ATOM   1636  CE2 PHE A 242      37.057 123.324 -11.905  1.00 18.08           C  
-ATOM   1637  CZ  PHE A 242      36.059 122.909 -12.772  1.00 18.05           C  
-ATOM   1638  N   VAL A 243      39.428 120.199  -9.242  1.00 15.46           N  
-ATOM   1639  CA  VAL A 243      40.708 120.263  -9.945  1.00 16.35           C  
-ATOM   1640  C   VAL A 243      41.293 118.868 -10.224  1.00 17.83           C  
-ATOM   1641  O   VAL A 243      41.577 118.531 -11.377  1.00 18.40           O  
-ATOM   1642  CB  VAL A 243      41.735 121.129  -9.156  1.00 15.16           C  
-ATOM   1643  CG1 VAL A 243      43.091 121.130  -9.839  1.00 16.44           C  
-ATOM   1644  CG2 VAL A 243      41.234 122.556  -9.039  1.00 15.69           C  
-ATOM   1645  N   ILE A 244      41.414 118.037  -9.190  1.00 18.11           N  
-ATOM   1646  CA  ILE A 244      42.003 116.704  -9.351  1.00 17.64           C  
-ATOM   1647  C   ILE A 244      41.210 115.756 -10.247  1.00 19.05           C  
-ATOM   1648  O   ILE A 244      41.773 115.139 -11.162  1.00 19.17           O  
-ATOM   1649  CB  ILE A 244      42.304 116.063  -7.994  1.00 16.91           C  
-ATOM   1650  CG1 ILE A 244      43.311 116.938  -7.249  1.00 14.91           C  
-ATOM   1651  CG2 ILE A 244      42.870 114.659  -8.182  1.00 14.83           C  
-ATOM   1652  CD1 ILE A 244      43.473 116.590  -5.799  1.00 15.20           C  
-ATOM   1653  N   SER A 245      39.901 115.678 -10.044  1.00 18.54           N  
-ATOM   1654  CA  SER A 245      39.086 114.791 -10.869  1.00 19.51           C  
-ATOM   1655  C   SER A 245      39.156 115.159 -12.347  1.00 20.21           C  
-ATOM   1656  O   SER A 245      39.025 114.291 -13.203  1.00 20.16           O  
-ATOM   1657  CB  SER A 245      37.621 114.788 -10.407  1.00 19.73           C  
-ATOM   1658  OG  SER A 245      37.009 116.063 -10.552  1.00 20.88           O  
-ATOM   1659  N   ASN A 246      39.348 116.443 -12.638  1.00 20.38           N  
-ATOM   1660  CA  ASN A 246      39.413 116.927 -14.014  1.00 21.92           C  
-ATOM   1661  C   ASN A 246      40.797 116.964 -14.649  1.00 22.48           C  
-ATOM   1662  O   ASN A 246      40.921 117.236 -15.845  1.00 23.28           O  
-ATOM   1663  CB  ASN A 246      38.779 118.313 -14.121  1.00 22.74           C  
-ATOM   1664  CG  ASN A 246      37.279 118.261 -14.089  1.00 23.72           C  
-ATOM   1665  OD1 ASN A 246      36.653 118.596 -13.088  1.00 25.04           O  
-ATOM   1666  ND2 ASN A 246      36.684 117.836 -15.189  1.00 24.18           N  
-ATOM   1667  N   THR A 247      41.838 116.760 -13.852  1.00 22.57           N  
-ATOM   1668  CA  THR A 247      43.188 116.765 -14.384  1.00 22.34           C  
-ATOM   1669  C   THR A 247      43.771 115.345 -14.372  1.00 24.02           C  
-ATOM   1670  O   THR A 247      43.591 114.596 -15.333  1.00 24.97           O  
-ATOM   1671  CB  THR A 247      44.092 117.769 -13.638  1.00 20.45           C  
-ATOM   1672  OG1 THR A 247      43.992 117.561 -12.226  1.00 20.62           O  
-ATOM   1673  CG2 THR A 247      43.671 119.193 -13.958  1.00 19.84           C  
-ATOM   1674  N   THR A 248      44.386 114.952 -13.260  1.00 24.59           N  
-ATOM   1675  CA  THR A 248      44.984 113.625 -13.133  1.00 24.23           C  
-ATOM   1676  C   THR A 248      43.959 112.537 -12.853  1.00 24.92           C  
-ATOM   1677  O   THR A 248      44.156 111.375 -13.223  1.00 24.67           O  
-ATOM   1678  CB  THR A 248      45.988 113.581 -11.967  1.00 24.25           C  
-ATOM   1679  OG1 THR A 248      45.321 113.958 -10.753  1.00 25.02           O  
-ATOM   1680  CG2 THR A 248      47.139 114.535 -12.210  1.00 23.63           C  
-ATOM   1681  N   GLY A 249      42.867 112.916 -12.195  1.00 23.62           N  
-ATOM   1682  CA  GLY A 249      41.861 111.946 -11.815  1.00 20.37           C  
-ATOM   1683  C   GLY A 249      42.375 111.339 -10.516  1.00 19.90           C  
-ATOM   1684  O   GLY A 249      43.470 111.688 -10.057  1.00 20.77           O  
-ATOM   1685  N   TYR A 250      41.606 110.435  -9.927  1.00 20.18           N  
-ATOM   1686  CA  TYR A 250      41.983 109.774  -8.674  1.00 21.16           C  
-ATOM   1687  C   TYR A 250      42.333 108.300  -8.874  1.00 23.13           C  
-ATOM   1688  O   TYR A 250      42.588 107.590  -7.901  1.00 22.13           O  
-ATOM   1689  CB  TYR A 250      40.840 109.867  -7.653  1.00 18.68           C  
-ATOM   1690  CG  TYR A 250      40.635 111.235  -7.048  1.00 16.99           C  
-ATOM   1691  CD1 TYR A 250      39.724 112.138  -7.598  1.00 16.69           C  
-ATOM   1692  CD2 TYR A 250      41.344 111.623  -5.913  1.00 16.09           C  
-ATOM   1693  CE1 TYR A 250      39.526 113.398  -7.027  1.00 14.56           C  
-ATOM   1694  CE2 TYR A 250      41.153 112.872  -5.337  1.00 15.86           C  
-ATOM   1695  CZ  TYR A 250      40.243 113.749  -5.900  1.00 13.97           C  
-ATOM   1696  OH  TYR A 250      40.059 114.968  -5.314  1.00 15.89           O  
-ATOM   1697  N   ASN A 251      42.291 107.828 -10.120  1.00 24.88           N  
-ATOM   1698  CA  ASN A 251      42.609 106.433 -10.412  1.00 27.24           C  
-ATOM   1699  C   ASN A 251      44.099 106.170 -10.327  1.00 27.62           C  
-ATOM   1700  O   ASN A 251      44.528 105.033 -10.130  1.00 30.65           O  
-ATOM   1701  CB  ASN A 251      42.044 106.008 -11.762  1.00 30.32           C  
-ATOM   1702  CG  ASN A 251      40.560 105.711 -11.689  1.00 34.38           C  
-ATOM   1703  OD1 ASN A 251      40.089 105.089 -10.734  1.00 35.44           O  
-ATOM   1704  ND2 ASN A 251      39.811 106.172 -12.682  1.00 36.51           N  
-ATOM   1705  N   ASP A 252      44.886 107.224 -10.495  1.00 26.58           N  
-ATOM   1706  CA  ASP A 252      46.332 107.137 -10.372  1.00 26.46           C  
-ATOM   1707  C   ASP A 252      46.571 106.891  -8.875  1.00 25.14           C  
-ATOM   1708  O   ASP A 252      46.341 107.791  -8.052  1.00 24.51           O  
-ATOM   1709  CB  ASP A 252      46.946 108.479 -10.785  1.00 29.69           C  
-ATOM   1710  CG  ASP A 252      48.474 108.478 -10.772  1.00 33.86           C  
-ATOM   1711  OD1 ASP A 252      49.110 107.717 -10.008  1.00 36.59           O  
-ATOM   1712  OD2 ASP A 252      49.048 109.281 -11.537  1.00 38.31           O  
-ATOM   1713  N   ARG A 253      47.054 105.699  -8.522  1.00 23.61           N  
-ATOM   1714  CA  ARG A 253      47.291 105.357  -7.118  1.00 22.01           C  
-ATOM   1715  C   ARG A 253      48.247 106.293  -6.404  1.00 22.02           C  
-ATOM   1716  O   ARG A 253      48.114 106.525  -5.200  1.00 22.13           O  
-ATOM   1717  CB  ARG A 253      47.717 103.897  -6.965  1.00 21.98           C  
-ATOM   1718  CG  ARG A 253      46.656 102.957  -7.492  1.00 22.83           C  
-ATOM   1719  CD  ARG A 253      46.796 101.524  -7.021  1.00 22.42           C  
-ATOM   1720  NE  ARG A 253      45.768 100.709  -7.670  1.00 22.47           N  
-ATOM   1721  CZ  ARG A 253      44.510 100.591  -7.248  1.00 22.19           C  
-ATOM   1722  NH1 ARG A 253      44.101 101.207  -6.147  1.00 23.80           N  
-ATOM   1723  NH2 ARG A 253      43.625  99.965  -8.000  1.00 22.75           N  
-ATOM   1724  N   ALA A 254      49.188 106.868  -7.142  1.00 21.49           N  
-ATOM   1725  CA  ALA A 254      50.132 107.816  -6.546  1.00 21.26           C  
-ATOM   1726  C   ALA A 254      49.378 109.101  -6.157  1.00 19.86           C  
-ATOM   1727  O   ALA A 254      49.618 109.672  -5.093  1.00 20.35           O  
-ATOM   1728  CB  ALA A 254      51.252 108.131  -7.522  1.00 20.46           C  
-ATOM   1729  N   VAL A 255      48.464 109.547  -7.017  1.00 18.73           N  
-ATOM   1730  CA  VAL A 255      47.676 110.746  -6.729  1.00 18.35           C  
-ATOM   1731  C   VAL A 255      46.768 110.479  -5.526  1.00 16.54           C  
-ATOM   1732  O   VAL A 255      46.730 111.273  -4.589  1.00 15.87           O  
-ATOM   1733  CB  VAL A 255      46.819 111.177  -7.957  1.00 18.95           C  
-ATOM   1734  CG1 VAL A 255      45.829 112.268  -7.568  1.00 18.11           C  
-ATOM   1735  CG2 VAL A 255      47.726 111.670  -9.075  1.00 18.93           C  
-ATOM   1736  N   LEU A 256      46.087 109.333  -5.531  1.00 16.34           N  
-ATOM   1737  CA  LEU A 256      45.186 108.989  -4.433  1.00 16.17           C  
-ATOM   1738  C   LEU A 256      45.931 108.930  -3.103  1.00 17.03           C  
-ATOM   1739  O   LEU A 256      45.463 109.463  -2.095  1.00 15.81           O  
-ATOM   1740  CB  LEU A 256      44.469 107.665  -4.710  1.00 15.93           C  
-ATOM   1741  CG  LEU A 256      43.420 107.212  -3.686  1.00 16.58           C  
-ATOM   1742  CD1 LEU A 256      42.260 108.182  -3.681  1.00 15.82           C  
-ATOM   1743  CD2 LEU A 256      42.934 105.820  -4.023  1.00 14.26           C  
-ATOM   1744  N   GLU A 257      47.116 108.324  -3.107  1.00 18.15           N  
-ATOM   1745  CA  GLU A 257      47.912 108.220  -1.886  1.00 18.59           C  
-ATOM   1746  C   GLU A 257      48.316 109.606  -1.385  1.00 17.37           C  
-ATOM   1747  O   GLU A 257      48.209 109.900  -0.191  1.00 17.47           O  
-ATOM   1748  CB  GLU A 257      49.139 107.326  -2.112  1.00 20.04           C  
-ATOM   1749  CG  GLU A 257      50.138 107.304  -0.965  1.00 22.26           C  
-ATOM   1750  CD  GLU A 257      49.568 106.816   0.363  1.00 25.31           C  
-ATOM   1751  OE1 GLU A 257      48.503 106.170   0.399  1.00 27.24           O  
-ATOM   1752  OE2 GLU A 257      50.210 107.072   1.398  1.00 28.91           O  
-ATOM   1753  N   ARG A 258      48.748 110.463  -2.305  1.00 17.27           N  
-ATOM   1754  CA  ARG A 258      49.125 111.825  -1.950  1.00 17.14           C  
-ATOM   1755  C   ARG A 258      47.915 112.509  -1.293  1.00 16.86           C  
-ATOM   1756  O   ARG A 258      48.046 113.182  -0.268  1.00 15.92           O  
-ATOM   1757  CB  ARG A 258      49.505 112.605  -3.209  1.00 19.09           C  
-ATOM   1758  CG  ARG A 258      49.980 114.035  -2.948  1.00 20.65           C  
-ATOM   1759  CD  ARG A 258      49.946 114.871  -4.224  1.00 23.58           C  
-ATOM   1760  NE  ARG A 258      48.580 115.208  -4.635  1.00 24.79           N  
-ATOM   1761  CZ  ARG A 258      48.191 115.385  -5.896  1.00 26.12           C  
-ATOM   1762  NH1 ARG A 258      49.057 115.248  -6.889  1.00 25.60           N  
-ATOM   1763  NH2 ARG A 258      46.943 115.749  -6.168  1.00 25.92           N  
-ATOM   1764  N   GLU A 259      46.739 112.316  -1.880  1.00 15.89           N  
-ATOM   1765  CA  GLU A 259      45.517 112.930  -1.361  1.00 15.91           C  
-ATOM   1766  C   GLU A 259      45.092 112.377  -0.012  1.00 16.22           C  
-ATOM   1767  O   GLU A 259      44.701 113.135   0.884  1.00 15.18           O  
-ATOM   1768  CB  GLU A 259      44.393 112.825  -2.387  1.00 15.00           C  
-ATOM   1769  CG  GLU A 259      44.635 113.733  -3.583  1.00 15.16           C  
-ATOM   1770  CD  GLU A 259      44.823 115.169  -3.140  1.00 18.26           C  
-ATOM   1771  OE1 GLU A 259      43.896 115.708  -2.493  1.00 18.06           O  
-ATOM   1772  OE2 GLU A 259      45.895 115.757  -3.400  1.00 16.76           O  
-ATOM   1773  N   VAL A 260      45.199 111.065   0.158  1.00 16.43           N  
-ATOM   1774  CA  VAL A 260      44.831 110.460   1.433  1.00 16.08           C  
-ATOM   1775  C   VAL A 260      45.791 110.931   2.534  1.00 17.38           C  
-ATOM   1776  O   VAL A 260      45.355 111.315   3.612  1.00 18.10           O  
-ATOM   1777  CB  VAL A 260      44.783 108.919   1.335  1.00 14.57           C  
-ATOM   1778  CG1 VAL A 260      44.622 108.304   2.727  1.00 13.32           C  
-ATOM   1779  CG2 VAL A 260      43.625 108.497   0.422  1.00 12.23           C  
-ATOM   1780  N   GLN A 261      47.088 110.962   2.242  1.00 17.94           N  
-ATOM   1781  CA  GLN A 261      48.077 111.425   3.218  1.00 19.91           C  
-ATOM   1782  C   GLN A 261      47.825 112.876   3.610  1.00 18.73           C  
-ATOM   1783  O   GLN A 261      47.830 113.218   4.790  1.00 19.95           O  
-ATOM   1784  CB  GLN A 261      49.496 111.331   2.649  1.00 22.71           C  
-ATOM   1785  CG  GLN A 261      50.080 109.946   2.647  1.00 30.44           C  
-ATOM   1786  CD  GLN A 261      50.277 109.372   4.051  1.00 34.58           C  
-ATOM   1787  OE1 GLN A 261      50.409 108.158   4.217  1.00 38.12           O  
-ATOM   1788  NE2 GLN A 261      50.310 110.239   5.060  1.00 35.87           N  
-ATOM   1789  N   TYR A 262      47.655 113.730   2.607  1.00 17.79           N  
-ATOM   1790  CA  TYR A 262      47.399 115.148   2.824  1.00 17.70           C  
-ATOM   1791  C   TYR A 262      46.182 115.350   3.725  1.00 17.14           C  
-ATOM   1792  O   TYR A 262      46.230 116.105   4.694  1.00 18.81           O  
-ATOM   1793  CB  TYR A 262      47.157 115.839   1.479  1.00 17.37           C  
-ATOM   1794  CG  TYR A 262      46.770 117.298   1.590  1.00 21.79           C  
-ATOM   1795  CD1 TYR A 262      47.743 118.283   1.715  1.00 25.17           C  
-ATOM   1796  CD2 TYR A 262      45.431 117.694   1.563  1.00 21.85           C  
-ATOM   1797  CE1 TYR A 262      47.402 119.629   1.808  1.00 28.82           C  
-ATOM   1798  CE2 TYR A 262      45.077 119.036   1.659  1.00 24.96           C  
-ATOM   1799  CZ  TYR A 262      46.069 119.999   1.779  1.00 28.28           C  
-ATOM   1800  OH  TYR A 262      45.743 121.332   1.851  1.00 30.91           O  
-ATOM   1801  N   THR A 263      45.097 114.658   3.404  1.00 17.19           N  
-ATOM   1802  CA  THR A 263      43.863 114.780   4.170  1.00 16.94           C  
-ATOM   1803  C   THR A 263      44.024 114.269   5.598  1.00 17.09           C  
-ATOM   1804  O   THR A 263      43.538 114.903   6.536  1.00 16.86           O  
-ATOM   1805  CB  THR A 263      42.712 114.076   3.447  1.00 16.19           C  
-ATOM   1806  OG1 THR A 263      42.643 114.583   2.109  1.00 14.71           O  
-ATOM   1807  CG2 THR A 263      41.379 114.347   4.155  1.00 15.57           C  
-ATOM   1808  N   LEU A 264      44.723 113.146   5.768  1.00 16.34           N  
-ATOM   1809  CA  LEU A 264      44.954 112.599   7.100  1.00 16.17           C  
-ATOM   1810  C   LEU A 264      45.779 113.587   7.907  1.00 17.32           C  
-ATOM   1811  O   LEU A 264      45.555 113.771   9.104  1.00 17.10           O  
-ATOM   1812  CB  LEU A 264      45.666 111.253   7.022  1.00 16.03           C  
-ATOM   1813  CG  LEU A 264      44.746 110.098   6.626  1.00 18.10           C  
-ATOM   1814  CD1 LEU A 264      45.575 108.843   6.411  1.00 17.57           C  
-ATOM   1815  CD2 LEU A 264      43.660 109.874   7.703  1.00 17.57           C  
-ATOM   1816  N   GLU A 265      46.709 114.258   7.241  1.00 18.60           N  
-ATOM   1817  CA  GLU A 265      47.525 115.252   7.910  1.00 21.03           C  
-ATOM   1818  C   GLU A 265      46.649 116.408   8.400  1.00 20.16           C  
-ATOM   1819  O   GLU A 265      46.798 116.884   9.535  1.00 19.34           O  
-ATOM   1820  CB  GLU A 265      48.620 115.778   6.979  1.00 25.50           C  
-ATOM   1821  CG  GLU A 265      49.540 116.796   7.649  1.00 36.70           C  
-ATOM   1822  CD  GLU A 265      50.024 116.337   9.044  1.00 44.15           C  
-ATOM   1823  OE1 GLU A 265      49.971 117.157   9.998  1.00 46.17           O  
-ATOM   1824  OE2 GLU A 265      50.437 115.154   9.186  1.00 48.10           O  
-ATOM   1825  N   MET A 266      45.730 116.854   7.552  1.00 18.88           N  
-ATOM   1826  CA  MET A 266      44.843 117.948   7.933  1.00 18.87           C  
-ATOM   1827  C   MET A 266      43.951 117.536   9.105  1.00 17.45           C  
-ATOM   1828  O   MET A 266      43.718 118.325  10.015  1.00 17.91           O  
-ATOM   1829  CB  MET A 266      44.003 118.412   6.736  1.00 18.76           C  
-ATOM   1830  CG  MET A 266      44.814 119.044   5.607  1.00 20.28           C  
-ATOM   1831  SD  MET A 266      45.800 120.462   6.152  1.00 22.18           S  
-ATOM   1832  CE  MET A 266      47.440 119.678   6.406  1.00 27.98           C  
-ATOM   1833  N   ILE A 267      43.480 116.292   9.094  1.00 17.66           N  
-ATOM   1834  CA  ILE A 267      42.628 115.783  10.166  1.00 17.97           C  
-ATOM   1835  C   ILE A 267      43.397 115.772  11.500  1.00 20.67           C  
-ATOM   1836  O   ILE A 267      42.855 116.132  12.543  1.00 19.50           O  
-ATOM   1837  CB  ILE A 267      42.099 114.371   9.834  1.00 17.46           C  
-ATOM   1838  CG1 ILE A 267      41.105 114.442   8.670  1.00 16.39           C  
-ATOM   1839  CG2 ILE A 267      41.452 113.731  11.066  1.00 17.75           C  
-ATOM   1840  CD1 ILE A 267      40.692 113.077   8.122  1.00 16.46           C  
-ATOM   1841  N   LYS A 268      44.668 115.389  11.465  1.00 22.28           N  
-ATOM   1842  CA  LYS A 268      45.462 115.367  12.687  1.00 24.47           C  
-ATOM   1843  C   LYS A 268      45.667 116.778  13.230  1.00 22.82           C  
-ATOM   1844  O   LYS A 268      45.670 116.989  14.441  1.00 23.04           O  
-ATOM   1845  CB  LYS A 268      46.798 114.666  12.443  1.00 29.17           C  
-ATOM   1846  CG  LYS A 268      46.642 113.157  12.195  1.00 35.92           C  
-ATOM   1847  CD  LYS A 268      47.942 112.553  11.691  1.00 40.75           C  
-ATOM   1848  CE  LYS A 268      47.712 111.219  11.008  1.00 43.56           C  
-ATOM   1849  NZ  LYS A 268      48.933 110.835  10.230  1.00 46.96           N  
-ATOM   1850  N   LEU A 269      45.801 117.743  12.330  1.00 21.13           N  
-ATOM   1851  CA  LEU A 269      45.985 119.135  12.719  1.00 21.46           C  
-ATOM   1852  C   LEU A 269      44.720 119.713  13.342  1.00 21.64           C  
-ATOM   1853  O   LEU A 269      44.790 120.453  14.325  1.00 20.48           O  
-ATOM   1854  CB  LEU A 269      46.353 119.979  11.498  1.00 22.37           C  
-ATOM   1855  CG  LEU A 269      47.800 120.415  11.294  1.00 25.35           C  
-ATOM   1856  CD1 LEU A 269      48.766 119.424  11.903  1.00 24.67           C  
-ATOM   1857  CD2 LEU A 269      48.056 120.611   9.807  1.00 24.37           C  
-ATOM   1858  N   VAL A 270      43.571 119.415  12.730  1.00 19.34           N  
-ATOM   1859  CA  VAL A 270      42.269 119.917  13.190  1.00 17.88           C  
-ATOM   1860  C   VAL A 270      41.270 118.744  13.134  1.00 17.96           C  
-ATOM   1861  O   VAL A 270      40.417 118.688  12.238  1.00 17.13           O  
-ATOM   1862  CB  VAL A 270      41.783 121.086  12.263  1.00 16.82           C  
-ATOM   1863  CG1 VAL A 270      40.556 121.769  12.839  1.00 15.38           C  
-ATOM   1864  CG2 VAL A 270      42.886 122.121  12.084  1.00 16.31           C  
-ATOM   1865  N   PRO A 271      41.317 117.833  14.135  1.00 16.87           N  
-ATOM   1866  CA  PRO A 271      40.451 116.645  14.232  1.00 16.76           C  
-ATOM   1867  C   PRO A 271      38.932 116.848  14.121  1.00 15.68           C  
-ATOM   1868  O   PRO A 271      38.218 115.923  13.721  1.00 15.36           O  
-ATOM   1869  CB  PRO A 271      40.839 116.049  15.588  1.00 15.90           C  
-ATOM   1870  CG  PRO A 271      42.238 116.498  15.771  1.00 19.08           C  
-ATOM   1871  CD  PRO A 271      42.188 117.922  15.321  1.00 16.39           C  
-ATOM   1872  N   HIS A 272      38.438 118.030  14.493  1.00 15.34           N  
-ATOM   1873  CA  HIS A 272      36.997 118.317  14.425  1.00 15.75           C  
-ATOM   1874  C   HIS A 272      36.555 119.114  13.200  1.00 15.75           C  
-ATOM   1875  O   HIS A 272      35.436 119.614  13.164  1.00 16.43           O  
-ATOM   1876  CB  HIS A 272      36.504 118.983  15.721  1.00 15.17           C  
-ATOM   1877  CG  HIS A 272      36.603 118.085  16.915  1.00 17.98           C  
-ATOM   1878  ND1 HIS A 272      37.757 117.966  17.661  1.00 16.64           N  
-ATOM   1879  CD2 HIS A 272      35.727 117.192  17.436  1.00 16.85           C  
-ATOM   1880  CE1 HIS A 272      37.591 117.035  18.586  1.00 17.81           C  
-ATOM   1881  NE2 HIS A 272      36.369 116.550  18.470  1.00 18.29           N  
-ATOM   1882  N   ASN A 273      37.435 119.249  12.210  1.00 15.94           N  
-ATOM   1883  CA  ASN A 273      37.091 119.965  10.980  1.00 15.04           C  
-ATOM   1884  C   ASN A 273      36.384 118.954  10.097  1.00 14.89           C  
-ATOM   1885  O   ASN A 273      37.031 118.067   9.524  1.00 15.65           O  
-ATOM   1886  CB  ASN A 273      38.349 120.473  10.259  1.00 16.55           C  
-ATOM   1887  CG  ASN A 273      38.049 121.010   8.864  1.00 15.93           C  
-ATOM   1888  OD1 ASN A 273      36.915 121.388   8.558  1.00 15.02           O  
-ATOM   1889  ND2 ASN A 273      39.065 121.049   8.018  1.00 14.34           N  
-ATOM   1890  N   GLU A 274      35.067 119.096   9.956  1.00 14.43           N  
-ATOM   1891  CA  GLU A 274      34.300 118.153   9.156  1.00 14.34           C  
-ATOM   1892  C   GLU A 274      34.647 118.084   7.665  1.00 12.91           C  
-ATOM   1893  O   GLU A 274      34.531 117.020   7.077  1.00 12.64           O  
-ATOM   1894  CB  GLU A 274      32.798 118.384   9.331  1.00 15.21           C  
-ATOM   1895  CG  GLU A 274      31.944 117.325   8.617  1.00 20.18           C  
-ATOM   1896  CD  GLU A 274      30.445 117.601   8.701  1.00 24.17           C  
-ATOM   1897  OE1 GLU A 274      29.672 117.073   7.855  1.00 18.62           O  
-ATOM   1898  OE2 GLU A 274      30.050 118.336   9.635  1.00 28.42           O  
-ATOM   1899  N   SER A 275      35.077 119.192   7.054  1.00 11.96           N  
-ATOM   1900  CA  SER A 275      35.401 119.188   5.621  1.00 12.56           C  
-ATOM   1901  C   SER A 275      36.456 118.151   5.213  1.00 12.61           C  
-ATOM   1902  O   SER A 275      36.265 117.421   4.234  1.00 12.91           O  
-ATOM   1903  CB  SER A 275      35.819 120.580   5.148  1.00 12.45           C  
-ATOM   1904  OG  SER A 275      34.701 121.450   5.115  1.00 13.38           O  
-ATOM   1905  N   ALA A 276      37.545 118.073   5.978  1.00 12.25           N  
-ATOM   1906  CA  ALA A 276      38.622 117.121   5.710  1.00 12.46           C  
-ATOM   1907  C   ALA A 276      38.089 115.688   5.802  1.00 13.03           C  
-ATOM   1908  O   ALA A 276      38.392 114.854   4.951  1.00 12.88           O  
-ATOM   1909  CB  ALA A 276      39.775 117.338   6.692  1.00 12.62           C  
-ATOM   1910  N   TRP A 277      37.290 115.407   6.831  1.00 12.69           N  
-ATOM   1911  CA  TRP A 277      36.688 114.081   6.992  1.00 12.28           C  
-ATOM   1912  C   TRP A 277      35.797 113.736   5.795  1.00 12.47           C  
-ATOM   1913  O   TRP A 277      35.815 112.610   5.289  1.00 10.94           O  
-ATOM   1914  CB  TRP A 277      35.845 114.036   8.269  1.00 13.36           C  
-ATOM   1915  CG  TRP A 277      36.661 113.850   9.512  1.00 13.23           C  
-ATOM   1916  CD1 TRP A 277      36.950 114.784  10.455  1.00 11.44           C  
-ATOM   1917  CD2 TRP A 277      37.282 112.628   9.945  1.00 13.51           C  
-ATOM   1918  NE1 TRP A 277      37.712 114.224  11.459  1.00 13.46           N  
-ATOM   1919  CE2 TRP A 277      37.929 112.901  11.171  1.00 13.88           C  
-ATOM   1920  CE3 TRP A 277      37.356 111.331   9.410  1.00 13.32           C  
-ATOM   1921  CZ2 TRP A 277      38.644 111.926  11.880  1.00 14.74           C  
-ATOM   1922  CZ3 TRP A 277      38.077 110.352  10.116  1.00 14.87           C  
-ATOM   1923  CH2 TRP A 277      38.708 110.661  11.337  1.00 14.37           C  
-ATOM   1924  N   ASN A 278      35.015 114.712   5.341  1.00 12.69           N  
-ATOM   1925  CA  ASN A 278      34.111 114.499   4.207  1.00 12.52           C  
-ATOM   1926  C   ASN A 278      34.867 114.274   2.909  1.00 10.93           C  
-ATOM   1927  O   ASN A 278      34.434 113.494   2.071  1.00 11.58           O  
-ATOM   1928  CB  ASN A 278      33.145 115.678   4.055  1.00 10.62           C  
-ATOM   1929  CG  ASN A 278      32.184 115.792   5.219  1.00 12.12           C  
-ATOM   1930  OD1 ASN A 278      32.032 114.855   6.010  1.00 12.68           O  
-ATOM   1931  ND2 ASN A 278      31.516 116.933   5.325  1.00 12.05           N  
-ATOM   1932  N   TYR A 279      36.007 114.943   2.755  1.00 10.67           N  
-ATOM   1933  CA  TYR A 279      36.814 114.801   1.547  1.00 10.78           C  
-ATOM   1934  C   TYR A 279      37.462 113.418   1.544  1.00 10.68           C  
-ATOM   1935  O   TYR A 279      37.558 112.769   0.501  1.00 10.45           O  
-ATOM   1936  CB  TYR A 279      37.879 115.899   1.489  1.00 11.39           C  
-ATOM   1937  CG  TYR A 279      38.792 115.845   0.276  1.00 12.78           C  
-ATOM   1938  CD1 TYR A 279      38.352 116.287  -0.978  1.00 12.75           C  
-ATOM   1939  CD2 TYR A 279      40.106 115.370   0.385  1.00 14.16           C  
-ATOM   1940  CE1 TYR A 279      39.196 116.257  -2.100  1.00 12.88           C  
-ATOM   1941  CE2 TYR A 279      40.959 115.332  -0.726  1.00 13.17           C  
-ATOM   1942  CZ  TYR A 279      40.494 115.775  -1.964  1.00 14.58           C  
-ATOM   1943  OH  TYR A 279      41.304 115.696  -3.069  1.00 14.44           O  
-ATOM   1944  N   LEU A 280      37.917 112.979   2.709  1.00 11.54           N  
-ATOM   1945  CA  LEU A 280      38.530 111.662   2.817  1.00 13.00           C  
-ATOM   1946  C   LEU A 280      37.520 110.602   2.356  1.00 12.61           C  
-ATOM   1947  O   LEU A 280      37.837 109.739   1.536  1.00 13.80           O  
-ATOM   1948  CB  LEU A 280      38.993 111.394   4.257  1.00 13.33           C  
-ATOM   1949  CG  LEU A 280      39.697 110.051   4.509  1.00 13.11           C  
-ATOM   1950  CD1 LEU A 280      40.975 109.978   3.687  1.00 13.78           C  
-ATOM   1951  CD2 LEU A 280      39.997 109.904   5.992  1.00 13.57           C  
-ATOM   1952  N   LYS A 281      36.293 110.678   2.846  1.00 13.17           N  
-ATOM   1953  CA  LYS A 281      35.288 109.707   2.422  1.00 14.85           C  
-ATOM   1954  C   LYS A 281      34.945 109.892   0.950  1.00 13.56           C  
-ATOM   1955  O   LYS A 281      34.774 108.916   0.216  1.00 14.33           O  
-ATOM   1956  CB  LYS A 281      34.014 109.810   3.272  1.00 17.47           C  
-ATOM   1957  CG  LYS A 281      32.924 108.823   2.846  1.00 21.33           C  
-ATOM   1958  CD  LYS A 281      31.857 108.680   3.911  1.00 26.75           C  
-ATOM   1959  CE  LYS A 281      31.219 110.013   4.223  1.00 30.30           C  
-ATOM   1960  NZ  LYS A 281      30.209 109.847   5.283  1.00 36.60           N  
-ATOM   1961  N   GLY A 282      34.842 111.149   0.529  1.00 13.45           N  
-ATOM   1962  CA  GLY A 282      34.510 111.467  -0.853  1.00 13.73           C  
-ATOM   1963  C   GLY A 282      35.448 110.867  -1.895  1.00 14.15           C  
-ATOM   1964  O   GLY A 282      34.982 110.369  -2.919  1.00 14.18           O  
-ATOM   1965  N   ILE A 283      36.754 110.868  -1.628  1.00 13.52           N  
-ATOM   1966  CA  ILE A 283      37.726 110.319  -2.581  1.00 13.90           C  
-ATOM   1967  C   ILE A 283      37.887 108.801  -2.518  1.00 14.65           C  
-ATOM   1968  O   ILE A 283      38.513 108.218  -3.397  1.00 15.21           O  
-ATOM   1969  CB  ILE A 283      39.128 111.003  -2.457  1.00 13.17           C  
-ATOM   1970  CG1 ILE A 283      39.814 110.649  -1.125  1.00 13.01           C  
-ATOM   1971  CG2 ILE A 283      38.973 112.502  -2.619  1.00 12.08           C  
-ATOM   1972  CD1 ILE A 283      41.185 111.324  -0.913  1.00 11.91           C  
-ATOM   1973  N   LEU A 284      37.298 108.163  -1.507  1.00 14.31           N  
-ATOM   1974  CA  LEU A 284      37.402 106.711  -1.346  1.00 13.97           C  
-ATOM   1975  C   LEU A 284      36.085 105.967  -1.475  1.00 15.40           C  
-ATOM   1976  O   LEU A 284      36.080 104.762  -1.745  1.00 16.36           O  
-ATOM   1977  CB  LEU A 284      37.972 106.377   0.039  1.00 12.88           C  
-ATOM   1978  CG  LEU A 284      39.332 106.948   0.429  1.00 15.21           C  
-ATOM   1979  CD1 LEU A 284      39.639 106.571   1.867  1.00 14.74           C  
-ATOM   1980  CD2 LEU A 284      40.414 106.428  -0.518  1.00 15.36           C  
-ATOM   1981  N   GLN A 285      34.967 106.676  -1.317  1.00 16.22           N  
-ATOM   1982  CA  GLN A 285      33.659 106.033  -1.334  1.00 16.94           C  
-ATOM   1983  C   GLN A 285      33.249 105.253  -2.572  1.00 18.31           C  
-ATOM   1984  O   GLN A 285      32.601 104.213  -2.450  1.00 19.08           O  
-ATOM   1985  CB  GLN A 285      32.555 107.031  -0.977  1.00 16.62           C  
-ATOM   1986  CG  GLN A 285      32.276 108.050  -2.076  1.00 18.06           C  
-ATOM   1987  CD  GLN A 285      31.466 109.236  -1.578  1.00 20.18           C  
-ATOM   1988  OE1 GLN A 285      30.964 109.237  -0.449  1.00 21.02           O  
-ATOM   1989  NE2 GLN A 285      31.360 110.261  -2.402  1.00 19.63           N  
-ATOM   1990  N   ASP A 286      33.619 105.724  -3.753  1.00 19.29           N  
-ATOM   1991  CA  ASP A 286      33.197 105.032  -4.959  1.00 22.34           C  
-ATOM   1992  C   ASP A 286      33.820 103.658  -5.133  1.00 21.69           C  
-ATOM   1993  O   ASP A 286      33.148 102.727  -5.564  1.00 22.28           O  
-ATOM   1994  CB  ASP A 286      33.357 105.925  -6.189  1.00 25.98           C  
-ATOM   1995  CG  ASP A 286      32.362 107.109  -6.189  1.00 29.98           C  
-ATOM   1996  OD1 ASP A 286      31.252 107.001  -5.593  1.00 31.08           O  
-ATOM   1997  OD2 ASP A 286      32.694 108.150  -6.788  1.00 33.95           O  
-ATOM   1998  N   ARG A 287      35.080 103.509  -4.744  1.00 21.12           N  
-ATOM   1999  CA  ARG A 287      35.738 102.211  -4.831  1.00 21.46           C  
-ATOM   2000  C   ARG A 287      35.268 101.353  -3.669  1.00 19.83           C  
-ATOM   2001  O   ARG A 287      35.222 100.139  -3.775  1.00 21.16           O  
-ATOM   2002  CB  ARG A 287      37.251 102.371  -4.779  1.00 25.84           C  
-ATOM   2003  CG  ARG A 287      37.811 102.948  -6.048  1.00 33.94           C  
-ATOM   2004  CD  ARG A 287      37.627 101.960  -7.190  1.00 41.04           C  
-ATOM   2005  NE  ARG A 287      37.681 102.624  -8.485  1.00 49.62           N  
-ATOM   2006  CZ  ARG A 287      36.613 103.108  -9.118  1.00 54.55           C  
-ATOM   2007  NH1 ARG A 287      35.398 102.997  -8.578  1.00 54.71           N  
-ATOM   2008  NH2 ARG A 287      36.764 103.727 -10.287  1.00 57.12           N  
-ATOM   2009  N   GLY A 288      34.915 101.997  -2.562  1.00 18.90           N  
-ATOM   2010  CA  GLY A 288      34.446 101.285  -1.387  1.00 18.16           C  
-ATOM   2011  C   GLY A 288      35.434 101.458  -0.250  1.00 19.16           C  
-ATOM   2012  O   GLY A 288      36.619 101.124  -0.389  1.00 18.38           O  
-ATOM   2013  N   LEU A 289      34.951 101.958   0.883  1.00 17.24           N  
-ATOM   2014  CA  LEU A 289      35.800 102.182   2.050  1.00 18.53           C  
-ATOM   2015  C   LEU A 289      36.504 100.921   2.562  1.00 18.77           C  
-ATOM   2016  O   LEU A 289      37.601 101.004   3.097  1.00 20.44           O  
-ATOM   2017  CB  LEU A 289      35.009 102.855   3.190  1.00 17.92           C  
-ATOM   2018  CG  LEU A 289      34.385 104.230   2.896  1.00 19.12           C  
-ATOM   2019  CD1 LEU A 289      33.756 104.796   4.164  1.00 17.73           C  
-ATOM   2020  CD2 LEU A 289      35.432 105.196   2.360  1.00 18.75           C  
-ATOM   2021  N   SER A 290      35.895  99.755   2.381  1.00 18.61           N  
-ATOM   2022  CA  SER A 290      36.504  98.511   2.849  1.00 20.09           C  
-ATOM   2023  C   SER A 290      37.692  98.073   2.000  1.00 20.06           C  
-ATOM   2024  O   SER A 290      38.398  97.150   2.378  1.00 20.58           O  
-ATOM   2025  CB  SER A 290      35.474  97.384   2.890  1.00 17.99           C  
-ATOM   2026  OG  SER A 290      35.050  97.016   1.584  1.00 22.01           O  
-ATOM   2027  N   LYS A 291      37.891  98.710   0.847  1.00 20.15           N  
-ATOM   2028  CA  LYS A 291      39.001  98.356  -0.048  1.00 21.13           C  
-ATOM   2029  C   LYS A 291      40.338  98.900   0.437  1.00 19.83           C  
-ATOM   2030  O   LYS A 291      41.374  98.636  -0.174  1.00 20.82           O  
-ATOM   2031  CB  LYS A 291      38.765  98.883  -1.468  1.00 22.26           C  
-ATOM   2032  CG  LYS A 291      37.458  98.475  -2.117  1.00 26.14           C  
-ATOM   2033  CD  LYS A 291      37.295  96.996  -2.193  1.00 27.30           C  
-ATOM   2034  CE  LYS A 291      35.976  96.661  -2.847  1.00 30.93           C  
-ATOM   2035  NZ  LYS A 291      35.692  95.212  -2.740  1.00 34.11           N  
-ATOM   2036  N   TYR A 292      40.305  99.695   1.499  1.00 18.38           N  
-ATOM   2037  CA  TYR A 292      41.507 100.298   2.059  1.00 19.02           C  
-ATOM   2038  C   TYR A 292      41.732  99.804   3.489  1.00 20.10           C  
-ATOM   2039  O   TYR A 292      41.562 100.557   4.452  1.00 20.65           O  
-ATOM   2040  CB  TYR A 292      41.371 101.821   2.017  1.00 16.30           C  
-ATOM   2041  CG  TYR A 292      41.037 102.315   0.628  1.00 17.64           C  
-ATOM   2042  CD1 TYR A 292      39.706 102.493   0.223  1.00 16.51           C  
-ATOM   2043  CD2 TYR A 292      42.044 102.563  -0.303  1.00 16.38           C  
-ATOM   2044  CE1 TYR A 292      39.393 102.903  -1.075  1.00 16.31           C  
-ATOM   2045  CE2 TYR A 292      41.744 102.965  -1.597  1.00 17.89           C  
-ATOM   2046  CZ  TYR A 292      40.421 103.134  -1.981  1.00 18.59           C  
-ATOM   2047  OH  TYR A 292      40.145 103.500  -3.280  1.00 19.36           O  
-ATOM   2048  N   PRO A 293      42.186  98.543   3.637  1.00 21.89           N  
-ATOM   2049  CA  PRO A 293      42.439  97.937   4.953  1.00 21.33           C  
-ATOM   2050  C   PRO A 293      43.341  98.712   5.914  1.00 22.04           C  
-ATOM   2051  O   PRO A 293      43.089  98.737   7.127  1.00 22.56           O  
-ATOM   2052  CB  PRO A 293      43.013  96.561   4.599  1.00 21.68           C  
-ATOM   2053  CG  PRO A 293      43.594  96.747   3.230  1.00 22.26           C  
-ATOM   2054  CD  PRO A 293      42.570  97.622   2.552  1.00 20.49           C  
-ATOM   2055  N   ASN A 294      44.374  99.371   5.399  1.00 21.24           N  
-ATOM   2056  CA  ASN A 294      45.267 100.116   6.277  1.00 21.33           C  
-ATOM   2057  C   ASN A 294      44.592 101.319   6.913  1.00 22.92           C  
-ATOM   2058  O   ASN A 294      44.934 101.712   8.038  1.00 23.53           O  
-ATOM   2059  CB  ASN A 294      46.531 100.549   5.538  1.00 22.27           C  
-ATOM   2060  CG  ASN A 294      47.358  99.368   5.072  1.00 24.91           C  
-ATOM   2061  OD1 ASN A 294      47.281  98.277   5.647  1.00 23.67           O  
-ATOM   2062  ND2 ASN A 294      48.116  99.558   4.003  1.00 23.63           N  
-ATOM   2063  N   LEU A 295      43.625 101.898   6.202  1.00 22.98           N  
-ATOM   2064  CA  LEU A 295      42.900 103.063   6.703  1.00 21.94           C  
-ATOM   2065  C   LEU A 295      42.162 102.728   7.998  1.00 20.04           C  
-ATOM   2066  O   LEU A 295      42.224 103.484   8.973  1.00 19.96           O  
-ATOM   2067  CB  LEU A 295      41.922 103.579   5.646  1.00 22.06           C  
-ATOM   2068  CG  LEU A 295      41.197 104.863   6.055  1.00 23.64           C  
-ATOM   2069  CD1 LEU A 295      42.206 105.926   6.493  1.00 23.17           C  
-ATOM   2070  CD2 LEU A 295      40.336 105.358   4.908  1.00 22.22           C  
-ATOM   2071  N   LEU A 296      41.500 101.579   8.019  1.00 19.41           N  
-ATOM   2072  CA  LEU A 296      40.769 101.138   9.203  1.00 21.23           C  
-ATOM   2073  C   LEU A 296      41.691 101.079  10.416  1.00 23.00           C  
-ATOM   2074  O   LEU A 296      41.363 101.613  11.480  1.00 21.03           O  
-ATOM   2075  CB  LEU A 296      40.143  99.763   8.959  1.00 21.00           C  
-ATOM   2076  CG  LEU A 296      39.387  99.124  10.126  1.00 21.12           C  
-ATOM   2077  CD1 LEU A 296      38.333 100.065  10.677  1.00 20.31           C  
-ATOM   2078  CD2 LEU A 296      38.758  97.841   9.651  1.00 22.08           C  
-ATOM   2079  N   ASN A 297      42.861 100.462  10.235  1.00 25.07           N  
-ATOM   2080  CA  ASN A 297      43.841 100.335  11.315  1.00 27.46           C  
-ATOM   2081  C   ASN A 297      44.311 101.686  11.797  1.00 27.45           C  
-ATOM   2082  O   ASN A 297      44.380 101.932  12.996  1.00 27.80           O  
-ATOM   2083  CB  ASN A 297      45.060  99.545  10.856  1.00 32.29           C  
-ATOM   2084  CG  ASN A 297      44.735  98.116  10.541  1.00 36.99           C  
-ATOM   2085  OD1 ASN A 297      43.857  97.517  11.166  1.00 41.80           O  
-ATOM   2086  ND2 ASN A 297      45.438  97.547   9.565  1.00 40.39           N  
-ATOM   2087  N   GLN A 298      44.652 102.560  10.863  1.00 27.50           N  
-ATOM   2088  CA  GLN A 298      45.120 103.881  11.232  1.00 30.80           C  
-ATOM   2089  C   GLN A 298      44.082 104.630  12.040  1.00 31.61           C  
-ATOM   2090  O   GLN A 298      44.412 105.223  13.067  1.00 33.68           O  
-ATOM   2091  CB  GLN A 298      45.515 104.681   9.999  1.00 33.09           C  
-ATOM   2092  CG  GLN A 298      46.664 104.042   9.244  1.00 37.61           C  
-ATOM   2093  CD  GLN A 298      47.416 105.022   8.364  1.00 40.64           C  
-ATOM   2094  OE1 GLN A 298      47.415 106.239   8.608  1.00 40.42           O  
-ATOM   2095  NE2 GLN A 298      48.097 104.492   7.350  1.00 41.39           N  
-ATOM   2096  N   LEU A 299      42.824 104.580  11.606  1.00 30.18           N  
-ATOM   2097  CA  LEU A 299      41.753 105.264  12.324  1.00 28.88           C  
-ATOM   2098  C   LEU A 299      41.520 104.619  13.688  1.00 30.26           C  
-ATOM   2099  O   LEU A 299      41.272 105.311  14.673  1.00 30.08           O  
-ATOM   2100  CB  LEU A 299      40.458 105.276  11.499  1.00 26.95           C  
-ATOM   2101  CG  LEU A 299      40.528 106.056  10.184  1.00 24.80           C  
-ATOM   2102  CD1 LEU A 299      39.189 106.029   9.479  1.00 20.53           C  
-ATOM   2103  CD2 LEU A 299      40.968 107.484  10.461  1.00 24.82           C  
-ATOM   2104  N   LEU A 300      41.623 103.295  13.744  1.00 32.25           N  
-ATOM   2105  CA  LEU A 300      41.447 102.559  14.989  1.00 35.46           C  
-ATOM   2106  C   LEU A 300      42.489 102.989  16.038  1.00 39.53           C  
-ATOM   2107  O   LEU A 300      42.163 103.139  17.221  1.00 41.24           O  
-ATOM   2108  CB  LEU A 300      41.539 101.062  14.714  1.00 33.63           C  
-ATOM   2109  CG  LEU A 300      40.281 100.202  14.865  1.00 34.30           C  
-ATOM   2110  CD1 LEU A 300      39.010 101.024  14.809  1.00 34.24           C  
-ATOM   2111  CD2 LEU A 300      40.285  99.121  13.800  1.00 33.01           C  
-ATOM   2112  N   ASP A 301      43.731 103.207  15.608  1.00 42.89           N  
-ATOM   2113  CA  ASP A 301      44.793 103.644  16.518  1.00 47.20           C  
-ATOM   2114  C   ASP A 301      44.475 105.029  17.063  1.00 49.39           C  
-ATOM   2115  O   ASP A 301      44.710 105.316  18.237  1.00 51.75           O  
-ATOM   2116  CB  ASP A 301      46.150 103.704  15.802  1.00 48.39           C  
-ATOM   2117  CG  ASP A 301      46.654 102.337  15.369  1.00 49.64           C  
-ATOM   2118  OD1 ASP A 301      46.095 101.312  15.819  1.00 49.81           O  
-ATOM   2119  OD2 ASP A 301      47.614 102.289  14.565  1.00 51.20           O  
-ATOM   2120  N   LEU A 302      43.961 105.891  16.195  1.00 50.64           N  
-ATOM   2121  CA  LEU A 302      43.609 107.249  16.574  1.00 51.90           C  
-ATOM   2122  C   LEU A 302      42.401 107.350  17.489  1.00 53.32           C  
-ATOM   2123  O   LEU A 302      42.292 108.304  18.263  1.00 53.34           O  
-ATOM   2124  CB  LEU A 302      43.356 108.092  15.327  1.00 51.82           C  
-ATOM   2125  CG  LEU A 302      44.606 108.772  14.792  1.00 54.12           C  
-ATOM   2126  CD1 LEU A 302      45.190 109.609  15.917  1.00 55.60           C  
-ATOM   2127  CD2 LEU A 302      45.628 107.749  14.317  1.00 55.16           C  
-ATOM   2128  N   GLN A 303      41.528 106.347  17.436  1.00 55.46           N  
-ATOM   2129  CA  GLN A 303      40.292 106.348  18.213  1.00 57.81           C  
-ATOM   2130  C   GLN A 303      40.363 106.685  19.697  1.00 60.16           C  
-ATOM   2131  O   GLN A 303      39.702 107.628  20.144  1.00 60.83           O  
-ATOM   2132  CB  GLN A 303      39.498 105.064  18.003  1.00 57.39           C  
-ATOM   2133  CG  GLN A 303      38.109 105.165  18.580  1.00 58.86           C  
-ATOM   2134  CD  GLN A 303      37.272 103.942  18.329  1.00 61.51           C  
-ATOM   2135  OE1 GLN A 303      37.732 102.963  17.738  1.00 63.44           O  
-ATOM   2136  NE2 GLN A 303      36.027 103.981  18.787  1.00 63.03           N  
-ATOM   2137  N   PRO A 304      41.146 105.927  20.487  1.00 61.87           N  
-ATOM   2138  CA  PRO A 304      41.224 106.241  21.920  1.00 61.91           C  
-ATOM   2139  C   PRO A 304      41.572 107.707  22.217  1.00 61.64           C  
-ATOM   2140  O   PRO A 304      40.909 108.349  23.030  1.00 62.17           O  
-ATOM   2141  CB  PRO A 304      42.295 105.270  22.428  1.00 62.25           C  
-ATOM   2142  CG  PRO A 304      43.123 104.980  21.201  1.00 63.08           C  
-ATOM   2143  CD  PRO A 304      42.065 104.826  20.147  1.00 62.33           C  
-ATOM   2144  N   SER A 305      42.557 108.251  21.509  1.00 60.37           N  
-ATOM   2145  CA  SER A 305      42.961 109.634  21.722  1.00 59.69           C  
-ATOM   2146  C   SER A 305      42.163 110.676  20.920  1.00 59.42           C  
-ATOM   2147  O   SER A 305      42.306 111.879  21.156  1.00 59.18           O  
-ATOM   2148  CB  SER A 305      44.458 109.785  21.432  1.00 60.05           C  
-ATOM   2149  OG  SER A 305      44.773 109.358  20.114  1.00 60.89           O  
-ATOM   2150  N   HIS A 306      41.360 110.233  19.951  1.00 58.31           N  
-ATOM   2151  CA  HIS A 306      40.584 111.166  19.124  1.00 56.79           C  
-ATOM   2152  C   HIS A 306      39.166 110.697  18.789  1.00 53.69           C  
-ATOM   2153  O   HIS A 306      38.712 110.916  17.674  1.00 53.86           O  
-ATOM   2154  CB  HIS A 306      41.305 111.442  17.792  1.00 60.13           C  
-ATOM   2155  CG  HIS A 306      42.651 112.088  17.930  1.00 63.72           C  
-ATOM   2156  ND1 HIS A 306      43.724 111.465  18.532  1.00 65.60           N  
-ATOM   2157  CD2 HIS A 306      43.110 113.287  17.497  1.00 65.30           C  
-ATOM   2158  CE1 HIS A 306      44.784 112.251  18.466  1.00 66.47           C  
-ATOM   2159  NE2 HIS A 306      44.438 113.362  17.841  1.00 66.92           N  
-ATOM   2160  N   SER A 307      38.462 110.073  19.727  1.00 50.76           N  
-ATOM   2161  CA  SER A 307      37.097 109.599  19.457  1.00 47.82           C  
-ATOM   2162  C   SER A 307      36.065 110.694  19.172  1.00 45.20           C  
-ATOM   2163  O   SER A 307      35.152 110.927  19.984  1.00 46.36           O  
-ATOM   2164  CB  SER A 307      36.578 108.708  20.598  1.00 49.37           C  
-ATOM   2165  OG  SER A 307      36.841 107.334  20.356  1.00 51.90           O  
-ATOM   2166  N   SER A 308      36.202 111.364  18.028  1.00 39.48           N  
-ATOM   2167  CA  SER A 308      35.262 112.404  17.636  1.00 33.00           C  
-ATOM   2168  C   SER A 308      34.106 111.708  16.922  1.00 30.22           C  
-ATOM   2169  O   SER A 308      34.251 110.568  16.461  1.00 28.45           O  
-ATOM   2170  CB  SER A 308      35.923 113.385  16.672  1.00 31.76           C  
-ATOM   2171  OG  SER A 308      36.175 112.773  15.420  1.00 31.63           O  
-ATOM   2172  N   PRO A 309      32.938 112.367  16.830  1.00 26.97           N  
-ATOM   2173  CA  PRO A 309      31.840 111.696  16.134  1.00 24.83           C  
-ATOM   2174  C   PRO A 309      32.211 111.440  14.671  1.00 21.74           C  
-ATOM   2175  O   PRO A 309      31.722 110.490  14.071  1.00 20.15           O  
-ATOM   2176  CB  PRO A 309      30.680 112.686  16.276  1.00 24.52           C  
-ATOM   2177  CG  PRO A 309      31.358 114.006  16.422  1.00 25.55           C  
-ATOM   2178  CD  PRO A 309      32.505 113.676  17.347  1.00 26.39           C  
-ATOM   2179  N   TYR A 310      33.131 112.239  14.127  1.00 20.09           N  
-ATOM   2180  CA  TYR A 310      33.561 112.077  12.728  1.00 19.80           C  
-ATOM   2181  C   TYR A 310      34.334 110.779  12.534  1.00 18.03           C  
-ATOM   2182  O   TYR A 310      34.098 110.033  11.579  1.00 15.46           O  
-ATOM   2183  CB  TYR A 310      34.430 113.256  12.288  1.00 21.77           C  
-ATOM   2184  CG  TYR A 310      33.823 114.592  12.618  1.00 23.79           C  
-ATOM   2185  CD1 TYR A 310      34.389 115.402  13.594  1.00 24.86           C  
-ATOM   2186  CD2 TYR A 310      32.616 114.992  12.040  1.00 26.58           C  
-ATOM   2187  CE1 TYR A 310      33.767 116.564  14.005  1.00 27.91           C  
-ATOM   2188  CE2 TYR A 310      31.980 116.167  12.444  1.00 28.63           C  
-ATOM   2189  CZ  TYR A 310      32.563 116.938  13.434  1.00 29.79           C  
-ATOM   2190  OH  TYR A 310      31.919 118.051  13.913  1.00 32.47           O  
-ATOM   2191  N   LEU A 311      35.248 110.504  13.457  1.00 18.46           N  
-ATOM   2192  CA  LEU A 311      36.040 109.283  13.390  1.00 18.80           C  
-ATOM   2193  C   LEU A 311      35.146 108.053  13.589  1.00 17.63           C  
-ATOM   2194  O   LEU A 311      35.212 107.096  12.812  1.00 15.58           O  
-ATOM   2195  CB  LEU A 311      37.161 109.337  14.434  1.00 20.42           C  
-ATOM   2196  CG  LEU A 311      38.006 108.114  14.801  1.00 22.33           C  
-ATOM   2197  CD1 LEU A 311      38.329 107.274  13.614  1.00 26.05           C  
-ATOM   2198  CD2 LEU A 311      39.293 108.614  15.414  1.00 26.14           C  
-ATOM   2199  N   ILE A 312      34.299 108.101  14.617  1.00 17.06           N  
-ATOM   2200  CA  ILE A 312      33.388 106.999  14.937  1.00 16.31           C  
-ATOM   2201  C   ILE A 312      32.446 106.727  13.756  1.00 14.57           C  
-ATOM   2202  O   ILE A 312      32.192 105.562  13.402  1.00 13.57           O  
-ATOM   2203  CB  ILE A 312      32.537 107.313  16.219  1.00 16.46           C  
-ATOM   2204  CG1 ILE A 312      33.443 107.590  17.419  1.00 19.18           C  
-ATOM   2205  CG2 ILE A 312      31.602 106.142  16.543  1.00 17.01           C  
-ATOM   2206  CD1 ILE A 312      34.383 106.456  17.733  1.00 23.09           C  
-ATOM   2207  N   ALA A 313      31.929 107.801  13.155  1.00 13.15           N  
-ATOM   2208  CA  ALA A 313      31.025 107.678  12.016  1.00 12.76           C  
-ATOM   2209  C   ALA A 313      31.765 107.056  10.830  1.00 12.98           C  
-ATOM   2210  O   ALA A 313      31.231 106.180  10.134  1.00 12.21           O  
-ATOM   2211  CB  ALA A 313      30.468 109.037  11.644  1.00 12.88           C  
-ATOM   2212  N   PHE A 314      33.011 107.480  10.626  1.00 13.09           N  
-ATOM   2213  CA  PHE A 314      33.810 106.939   9.543  1.00 12.82           C  
-ATOM   2214  C   PHE A 314      34.016 105.432   9.749  1.00 13.45           C  
-ATOM   2215  O   PHE A 314      33.953 104.661   8.796  1.00 14.57           O  
-ATOM   2216  CB  PHE A 314      35.141 107.669   9.439  1.00 14.53           C  
-ATOM   2217  CG  PHE A 314      35.760 107.599   8.069  1.00 15.51           C  
-ATOM   2218  CD1 PHE A 314      35.717 108.695   7.219  1.00 15.16           C  
-ATOM   2219  CD2 PHE A 314      36.360 106.426   7.617  1.00 17.52           C  
-ATOM   2220  CE1 PHE A 314      36.260 108.627   5.936  1.00 16.49           C  
-ATOM   2221  CE2 PHE A 314      36.910 106.346   6.326  1.00 17.57           C  
-ATOM   2222  CZ  PHE A 314      36.859 107.449   5.485  1.00 15.93           C  
-ATOM   2223  N   LEU A 315      34.230 104.999  10.988  1.00 13.16           N  
-ATOM   2224  CA  LEU A 315      34.395 103.569  11.262  1.00 13.20           C  
-ATOM   2225  C   LEU A 315      33.129 102.798  10.881  1.00 12.91           C  
-ATOM   2226  O   LEU A 315      33.206 101.725  10.289  1.00 13.08           O  
-ATOM   2227  CB  LEU A 315      34.730 103.319  12.737  1.00 12.92           C  
-ATOM   2228  CG  LEU A 315      36.107 103.813  13.209  1.00 14.94           C  
-ATOM   2229  CD1 LEU A 315      36.205 103.662  14.717  1.00 14.75           C  
-ATOM   2230  CD2 LEU A 315      37.220 103.032  12.526  1.00 14.55           C  
-ATOM   2231  N   VAL A 316      31.961 103.350  11.203  1.00 12.71           N  
-ATOM   2232  CA  VAL A 316      30.708 102.676  10.864  1.00 12.74           C  
-ATOM   2233  C   VAL A 316      30.606 102.571   9.347  1.00 13.11           C  
-ATOM   2234  O   VAL A 316      30.240 101.509   8.822  1.00 11.65           O  
-ATOM   2235  CB  VAL A 316      29.470 103.412  11.439  1.00 11.72           C  
-ATOM   2236  CG1 VAL A 316      28.173 102.781  10.929  1.00  9.58           C  
-ATOM   2237  CG2 VAL A 316      29.502 103.351  12.961  1.00 13.43           C  
-ATOM   2238  N   ASP A 317      30.964 103.653   8.648  1.00 12.93           N  
-ATOM   2239  CA  ASP A 317      30.926 103.662   7.183  1.00 13.44           C  
-ATOM   2240  C   ASP A 317      31.821 102.545   6.641  1.00 14.63           C  
-ATOM   2241  O   ASP A 317      31.454 101.861   5.685  1.00 14.86           O  
-ATOM   2242  CB  ASP A 317      31.405 104.994   6.623  1.00 16.31           C  
-ATOM   2243  CG  ASP A 317      30.555 106.168   7.064  1.00 23.51           C  
-ATOM   2244  OD1 ASP A 317      29.345 105.996   7.336  1.00 24.33           O  
-ATOM   2245  OD2 ASP A 317      31.113 107.284   7.127  1.00 25.93           O  
-ATOM   2246  N   ILE A 318      33.000 102.371   7.235  1.00 13.40           N  
-ATOM   2247  CA  ILE A 318      33.919 101.309   6.807  1.00 14.11           C  
-ATOM   2248  C   ILE A 318      33.270  99.945   7.063  1.00 14.39           C  
-ATOM   2249  O   ILE A 318      33.223  99.091   6.173  1.00 13.80           O  
-ATOM   2250  CB  ILE A 318      35.285 101.380   7.563  1.00 13.51           C  
-ATOM   2251  CG1 ILE A 318      36.064 102.618   7.129  1.00 13.74           C  
-ATOM   2252  CG2 ILE A 318      36.131 100.128   7.284  1.00 13.26           C  
-ATOM   2253  CD1 ILE A 318      37.357 102.858   7.917  1.00 12.69           C  
-ATOM   2254  N   TYR A 319      32.728  99.755   8.263  1.00 14.70           N  
-ATOM   2255  CA  TYR A 319      32.095  98.481   8.596  1.00 15.89           C  
-ATOM   2256  C   TYR A 319      30.943  98.177   7.667  1.00 16.68           C  
-ATOM   2257  O   TYR A 319      30.762  97.030   7.264  1.00 15.42           O  
-ATOM   2258  CB  TYR A 319      31.629  98.458  10.047  1.00 15.34           C  
-ATOM   2259  CG  TYR A 319      32.769  98.440  11.036  1.00 17.06           C  
-ATOM   2260  CD1 TYR A 319      32.649  99.086  12.266  1.00 17.76           C  
-ATOM   2261  CD2 TYR A 319      33.978  97.802  10.733  1.00 17.59           C  
-ATOM   2262  CE1 TYR A 319      33.700  99.106  13.177  1.00 20.16           C  
-ATOM   2263  CE2 TYR A 319      35.045  97.813  11.639  1.00 18.80           C  
-ATOM   2264  CZ  TYR A 319      34.894  98.471  12.861  1.00 21.46           C  
-ATOM   2265  OH  TYR A 319      35.920  98.515  13.778  1.00 22.33           O  
-ATOM   2266  N   GLU A 320      30.165  99.202   7.318  1.00 16.83           N  
-ATOM   2267  CA  GLU A 320      29.036  99.020   6.405  1.00 18.37           C  
-ATOM   2268  C   GLU A 320      29.510  98.413   5.097  1.00 16.79           C  
-ATOM   2269  O   GLU A 320      28.917  97.456   4.587  1.00 16.69           O  
-ATOM   2270  CB  GLU A 320      28.388 100.355   6.056  1.00 19.66           C  
-ATOM   2271  CG  GLU A 320      27.568 100.983   7.145  1.00 27.17           C  
-ATOM   2272  CD  GLU A 320      27.104 102.395   6.795  1.00 31.08           C  
-ATOM   2273  OE1 GLU A 320      27.314 102.845   5.645  1.00 32.13           O  
-ATOM   2274  OE2 GLU A 320      26.539 103.064   7.683  1.00 33.32           O  
-ATOM   2275  N   ASP A 321      30.556  99.009   4.536  1.00 16.28           N  
-ATOM   2276  CA  ASP A 321      31.095  98.542   3.268  1.00 17.08           C  
-ATOM   2277  C   ASP A 321      31.714  97.146   3.373  1.00 16.34           C  
-ATOM   2278  O   ASP A 321      31.561  96.326   2.460  1.00 16.74           O  
-ATOM   2279  CB  ASP A 321      32.100  99.548   2.703  1.00 18.32           C  
-ATOM   2280  CG  ASP A 321      32.382  99.309   1.232  1.00 21.98           C  
-ATOM   2281  OD1 ASP A 321      31.411  99.332   0.448  1.00 23.26           O  
-ATOM   2282  OD2 ASP A 321      33.553  99.073   0.860  1.00 19.67           O  
-ATOM   2283  N   MET A 322      32.378  96.868   4.495  1.00 16.18           N  
-ATOM   2284  CA  MET A 322      32.990  95.563   4.718  1.00 16.77           C  
-ATOM   2285  C   MET A 322      31.925  94.486   4.651  1.00 17.04           C  
-ATOM   2286  O   MET A 322      32.089  93.481   3.960  1.00 17.28           O  
-ATOM   2287  CB  MET A 322      33.686  95.503   6.079  1.00 18.28           C  
-ATOM   2288  CG  MET A 322      34.919  96.393   6.177  1.00 22.57           C  
-ATOM   2289  SD  MET A 322      35.868  96.194   7.717  1.00 26.08           S  
-ATOM   2290  CE  MET A 322      35.991  94.434   7.788  1.00 21.61           C  
-ATOM   2291  N   LEU A 323      30.825  94.712   5.360  1.00 16.58           N  
-ATOM   2292  CA  LEU A 323      29.713  93.772   5.403  1.00 17.71           C  
-ATOM   2293  C   LEU A 323      29.062  93.594   4.041  1.00 20.43           C  
-ATOM   2294  O   LEU A 323      28.497  92.548   3.741  1.00 20.95           O  
-ATOM   2295  CB  LEU A 323      28.675  94.257   6.411  1.00 16.85           C  
-ATOM   2296  CG  LEU A 323      29.099  94.180   7.879  1.00 16.62           C  
-ATOM   2297  CD1 LEU A 323      28.184  95.038   8.720  1.00 16.23           C  
-ATOM   2298  CD2 LEU A 323      29.066  92.742   8.345  1.00 14.74           C  
-ATOM   2299  N   GLU A 324      29.109  94.642   3.232  1.00 24.25           N  
-ATOM   2300  CA  GLU A 324      28.529  94.621   1.902  1.00 28.43           C  
-ATOM   2301  C   GLU A 324      29.410  93.813   0.957  1.00 30.57           C  
-ATOM   2302  O   GLU A 324      28.955  93.342  -0.079  1.00 29.86           O  
-ATOM   2303  CB  GLU A 324      28.415  96.054   1.385  1.00 31.20           C  
-ATOM   2304  CG  GLU A 324      27.262  96.286   0.442  1.00 39.07           C  
-ATOM   2305  CD  GLU A 324      25.918  96.132   1.131  1.00 42.56           C  
-ATOM   2306  OE1 GLU A 324      25.531  97.064   1.870  1.00 46.45           O  
-ATOM   2307  OE2 GLU A 324      25.252  95.089   0.938  1.00 44.35           O  
-ATOM   2308  N   ASN A 325      30.673  93.644   1.331  1.00 33.67           N  
-ATOM   2309  CA  ASN A 325      31.633  92.925   0.501  1.00 36.90           C  
-ATOM   2310  C   ASN A 325      32.132  91.592   1.021  1.00 39.36           C  
-ATOM   2311  O   ASN A 325      33.312  91.264   0.862  1.00 41.02           O  
-ATOM   2312  CB  ASN A 325      32.816  93.830   0.196  1.00 35.86           C  
-ATOM   2313  CG  ASN A 325      32.470  94.886  -0.804  1.00 37.40           C  
-ATOM   2314  OD1 ASN A 325      32.401  94.611  -2.001  1.00 40.76           O  
-ATOM   2315  ND2 ASN A 325      32.209  96.095  -0.329  1.00 36.39           N  
-ATOM   2316  N   GLN A 326      31.243  90.833   1.653  1.00 41.43           N  
-ATOM   2317  CA  GLN A 326      31.585  89.514   2.167  1.00 44.87           C  
-ATOM   2318  C   GLN A 326      32.898  89.473   2.934  1.00 45.26           C  
-ATOM   2319  O   GLN A 326      33.803  88.700   2.610  1.00 45.59           O  
-ATOM   2320  CB  GLN A 326      31.614  88.499   1.015  1.00 48.30           C  
-ATOM   2321  CG  GLN A 326      30.344  88.516   0.174  1.00 51.91           C  
-ATOM   2322  CD  GLN A 326      29.095  88.638   1.036  1.00 54.52           C  
-ATOM   2323  OE1 GLN A 326      28.607  89.749   1.299  1.00 54.26           O  
-ATOM   2324  NE2 GLN A 326      28.591  87.502   1.510  1.00 54.92           N  
-ATOM   2325  N   CYS A 327      33.012  90.334   3.934  1.00 45.44           N  
-ATOM   2326  CA  CYS A 327      34.219  90.368   4.736  1.00 44.79           C  
-ATOM   2327  C   CYS A 327      34.259  89.132   5.621  1.00 45.41           C  
-ATOM   2328  O   CYS A 327      33.250  88.437   5.814  1.00 44.41           O  
-ATOM   2329  CB  CYS A 327      34.262  91.630   5.610  1.00 44.09           C  
-ATOM   2330  SG  CYS A 327      32.970  91.733   6.884  1.00 40.88           S  
-ATOM   2331  N   ASP A 328      35.445  88.834   6.125  1.00 46.31           N  
-ATOM   2332  CA  ASP A 328      35.606  87.709   7.012  1.00 47.33           C  
-ATOM   2333  C   ASP A 328      35.236  88.250   8.387  1.00 45.51           C  
-ATOM   2334  O   ASP A 328      35.397  89.446   8.646  1.00 46.36           O  
-ATOM   2335  CB  ASP A 328      37.051  87.232   6.996  1.00 52.15           C  
-ATOM   2336  CG  ASP A 328      37.171  85.748   7.268  1.00 58.27           C  
-ATOM   2337  OD1 ASP A 328      38.232  85.173   6.931  1.00 62.07           O  
-ATOM   2338  OD2 ASP A 328      36.201  85.150   7.803  1.00 61.30           O  
-ATOM   2339  N   ASN A 329      34.731  87.387   9.259  1.00 42.66           N  
-ATOM   2340  CA  ASN A 329      34.334  87.797  10.609  1.00 40.14           C  
-ATOM   2341  C   ASN A 329      33.092  88.677  10.584  1.00 35.72           C  
-ATOM   2342  O   ASN A 329      33.005  89.644  11.335  1.00 32.85           O  
-ATOM   2343  CB  ASN A 329      35.463  88.560  11.325  1.00 44.27           C  
-ATOM   2344  CG  ASN A 329      36.696  87.705  11.560  1.00 49.43           C  
-ATOM   2345  OD1 ASN A 329      36.620  86.640  12.185  1.00 52.39           O  
-ATOM   2346  ND2 ASN A 329      37.843  88.166  11.061  1.00 49.64           N  
-ATOM   2347  N   LYS A 330      32.130  88.314   9.740  1.00 33.00           N  
-ATOM   2348  CA  LYS A 330      30.868  89.048   9.590  1.00 32.45           C  
-ATOM   2349  C   LYS A 330      30.182  89.400  10.910  1.00 30.20           C  
-ATOM   2350  O   LYS A 330      29.843  90.558  11.152  1.00 27.71           O  
-ATOM   2351  CB  LYS A 330      29.882  88.225   8.760  1.00 34.40           C  
-ATOM   2352  CG  LYS A 330      29.250  88.971   7.611  1.00 39.61           C  
-ATOM   2353  CD  LYS A 330      30.322  89.360   6.581  1.00 43.20           C  
-ATOM   2354  CE  LYS A 330      29.751  89.444   5.166  1.00 44.17           C  
-ATOM   2355  NZ  LYS A 330      28.547  90.320   5.094  1.00 44.50           N  
-ATOM   2356  N   GLU A 331      29.934  88.387  11.736  1.00 28.90           N  
-ATOM   2357  CA  GLU A 331      29.267  88.595  13.015  1.00 28.25           C  
-ATOM   2358  C   GLU A 331      30.019  89.590  13.892  1.00 26.05           C  
-ATOM   2359  O   GLU A 331      29.410  90.432  14.550  1.00 25.95           O  
-ATOM   2360  CB  GLU A 331      29.076  87.264  13.761  1.00 31.10           C  
-ATOM   2361  CG  GLU A 331      28.067  86.305  13.124  1.00 35.56           C  
-ATOM   2362  CD  GLU A 331      26.695  86.935  12.876  1.00 41.25           C  
-ATOM   2363  OE1 GLU A 331      26.147  87.595  13.790  1.00 42.98           O  
-ATOM   2364  OE2 GLU A 331      26.155  86.764  11.757  1.00 45.57           O  
-ATOM   2365  N   ASP A 332      31.344  89.507  13.878  1.00 24.50           N  
-ATOM   2366  CA  ASP A 332      32.185  90.394  14.672  1.00 24.80           C  
-ATOM   2367  C   ASP A 332      32.075  91.855  14.196  1.00 22.03           C  
-ATOM   2368  O   ASP A 332      31.922  92.767  15.012  1.00 19.42           O  
-ATOM   2369  CB  ASP A 332      33.651  89.911  14.626  1.00 29.99           C  
-ATOM   2370  CG  ASP A 332      34.591  90.779  15.466  1.00 35.95           C  
-ATOM   2371  OD1 ASP A 332      34.395  90.840  16.701  1.00 40.79           O  
-ATOM   2372  OD2 ASP A 332      35.526  91.405  14.896  1.00 39.21           O  
-ATOM   2373  N   ILE A 333      32.164  92.057  12.880  1.00 19.22           N  
-ATOM   2374  CA  ILE A 333      32.086  93.377  12.269  1.00 16.43           C  
-ATOM   2375  C   ILE A 333      30.701  93.966  12.503  1.00 15.35           C  
-ATOM   2376  O   ILE A 333      30.573  95.139  12.860  1.00 15.16           O  
-ATOM   2377  CB  ILE A 333      32.386  93.293  10.765  1.00 17.05           C  
-ATOM   2378  CG1 ILE A 333      33.841  92.855  10.557  1.00 18.97           C  
-ATOM   2379  CG2 ILE A 333      32.107  94.623  10.075  1.00 15.49           C  
-ATOM   2380  CD1 ILE A 333      34.876  93.808  11.145  1.00 16.86           C  
-ATOM   2381  N   LEU A 334      29.671  93.136  12.346  1.00 14.86           N  
-ATOM   2382  CA  LEU A 334      28.298  93.574  12.562  1.00 14.77           C  
-ATOM   2383  C   LEU A 334      28.117  94.020  14.026  1.00 15.83           C  
-ATOM   2384  O   LEU A 334      27.539  95.083  14.288  1.00 13.40           O  
-ATOM   2385  CB  LEU A 334      27.303  92.469  12.204  1.00 14.19           C  
-ATOM   2386  CG  LEU A 334      25.821  92.823  12.445  1.00 15.78           C  
-ATOM   2387  CD1 LEU A 334      25.399  94.073  11.648  1.00 13.55           C  
-ATOM   2388  CD2 LEU A 334      24.958  91.637  12.097  1.00 14.40           C  
-ATOM   2389  N   ASN A 335      28.631  93.239  14.978  1.00 16.06           N  
-ATOM   2390  CA  ASN A 335      28.517  93.621  16.385  1.00 17.77           C  
-ATOM   2391  C   ASN A 335      29.212  94.950  16.649  1.00 16.19           C  
-ATOM   2392  O   ASN A 335      28.692  95.793  17.385  1.00 14.11           O  
-ATOM   2393  CB  ASN A 335      29.107  92.553  17.308  1.00 24.41           C  
-ATOM   2394  CG  ASN A 335      28.229  91.321  17.402  1.00 33.05           C  
-ATOM   2395  OD1 ASN A 335      27.000  91.407  17.328  1.00 37.33           O  
-ATOM   2396  ND2 ASN A 335      28.855  90.156  17.559  1.00 37.14           N  
-ATOM   2397  N   LYS A 336      30.397  95.127  16.065  1.00 16.18           N  
-ATOM   2398  CA  LYS A 336      31.162  96.360  16.239  1.00 16.17           C  
-ATOM   2399  C   LYS A 336      30.417  97.557  15.662  1.00 16.23           C  
-ATOM   2400  O   LYS A 336      30.328  98.615  16.296  1.00 14.17           O  
-ATOM   2401  CB  LYS A 336      32.542  96.235  15.596  1.00 19.26           C  
-ATOM   2402  CG  LYS A 336      33.511  95.420  16.430  1.00 24.57           C  
-ATOM   2403  CD  LYS A 336      34.784  95.145  15.676  1.00 29.35           C  
-ATOM   2404  CE  LYS A 336      35.748  94.347  16.544  1.00 32.26           C  
-ATOM   2405  NZ  LYS A 336      36.912  93.894  15.735  1.00 35.07           N  
-ATOM   2406  N   ALA A 337      29.836  97.362  14.484  1.00 15.15           N  
-ATOM   2407  CA  ALA A 337      29.098  98.418  13.817  1.00 15.21           C  
-ATOM   2408  C   ALA A 337      27.871  98.818  14.637  1.00 14.33           C  
-ATOM   2409  O   ALA A 337      27.631 100.007  14.857  1.00 15.48           O  
-ATOM   2410  CB  ALA A 337      28.696  97.970  12.421  1.00 14.15           C  
-ATOM   2411  N   LEU A 338      27.121  97.835  15.128  1.00 13.72           N  
-ATOM   2412  CA  LEU A 338      25.930  98.119  15.936  1.00 14.47           C  
-ATOM   2413  C   LEU A 338      26.286  98.823  17.253  1.00 15.19           C  
-ATOM   2414  O   LEU A 338      25.566  99.715  17.697  1.00 15.07           O  
-ATOM   2415  CB  LEU A 338      25.128  96.836  16.195  1.00 14.47           C  
-ATOM   2416  CG  LEU A 338      24.472  96.214  14.956  1.00 16.29           C  
-ATOM   2417  CD1 LEU A 338      23.807  94.907  15.329  1.00 15.13           C  
-ATOM   2418  CD2 LEU A 338      23.447  97.166  14.351  1.00 14.57           C  
-ATOM   2419  N   GLU A 339      27.399  98.436  17.875  1.00 16.58           N  
-ATOM   2420  CA  GLU A 339      27.835  99.091  19.116  1.00 18.81           C  
-ATOM   2421  C   GLU A 339      28.115 100.566  18.840  1.00 16.77           C  
-ATOM   2422  O   GLU A 339      27.732 101.445  19.616  1.00 16.39           O  
-ATOM   2423  CB  GLU A 339      29.124  98.466  19.633  1.00 23.89           C  
-ATOM   2424  CG  GLU A 339      28.971  97.081  20.201  1.00 34.59           C  
-ATOM   2425  CD  GLU A 339      30.320  96.465  20.547  1.00 41.15           C  
-ATOM   2426  OE1 GLU A 339      31.275  97.239  20.818  1.00 44.64           O  
-ATOM   2427  OE2 GLU A 339      30.429  95.215  20.520  1.00 44.88           O  
-ATOM   2428  N   LEU A 340      28.816 100.830  17.742  1.00 15.74           N  
-ATOM   2429  CA  LEU A 340      29.139 102.202  17.365  1.00 14.90           C  
-ATOM   2430  C   LEU A 340      27.886 103.017  17.043  1.00 13.75           C  
-ATOM   2431  O   LEU A 340      27.786 104.176  17.451  1.00 13.57           O  
-ATOM   2432  CB  LEU A 340      30.142 102.233  16.204  1.00 13.74           C  
-ATOM   2433  CG  LEU A 340      31.536 101.648  16.504  1.00 15.37           C  
-ATOM   2434  CD1 LEU A 340      32.477 101.941  15.354  1.00 14.40           C  
-ATOM   2435  CD2 LEU A 340      32.109 102.242  17.791  1.00 15.16           C  
-ATOM   2436  N   CYS A 341      26.936 102.425  16.320  1.00 14.30           N  
-ATOM   2437  CA  CYS A 341      25.677 103.120  16.011  1.00 15.17           C  
-ATOM   2438  C   CYS A 341      24.970 103.537  17.309  1.00 15.74           C  
-ATOM   2439  O   CYS A 341      24.407 104.628  17.386  1.00 14.95           O  
-ATOM   2440  CB  CYS A 341      24.735 102.233  15.189  1.00 15.39           C  
-ATOM   2441  SG  CYS A 341      25.224 102.020  13.470  1.00 15.93           S  
-ATOM   2442  N   GLU A 342      24.988 102.656  18.312  1.00 16.48           N  
-ATOM   2443  CA  GLU A 342      24.374 102.924  19.617  1.00 18.25           C  
-ATOM   2444  C   GLU A 342      25.098 104.076  20.318  1.00 17.08           C  
-ATOM   2445  O   GLU A 342      24.468 104.974  20.890  1.00 16.32           O  
-ATOM   2446  CB  GLU A 342      24.470 101.685  20.508  1.00 23.16           C  
-ATOM   2447  CG  GLU A 342      23.149 101.188  21.073  1.00 34.69           C  
-ATOM   2448  CD  GLU A 342      22.359 102.264  21.805  1.00 39.52           C  
-ATOM   2449  OE1 GLU A 342      22.768 102.658  22.923  1.00 45.41           O  
-ATOM   2450  OE2 GLU A 342      21.321 102.705  21.263  1.00 41.62           O  
-ATOM   2451  N   ILE A 343      26.428 104.033  20.296  1.00 16.23           N  
-ATOM   2452  CA  ILE A 343      27.235 105.079  20.920  1.00 17.51           C  
-ATOM   2453  C   ILE A 343      26.958 106.427  20.262  1.00 16.09           C  
-ATOM   2454  O   ILE A 343      26.826 107.449  20.942  1.00 15.00           O  
-ATOM   2455  CB  ILE A 343      28.752 104.742  20.841  1.00 19.41           C  
-ATOM   2456  CG1 ILE A 343      29.058 103.583  21.804  1.00 22.72           C  
-ATOM   2457  CG2 ILE A 343      29.617 105.972  21.160  1.00 19.75           C  
-ATOM   2458  CD1 ILE A 343      30.474 103.057  21.715  1.00 23.49           C  
-ATOM   2459  N   LEU A 344      26.864 106.422  18.939  1.00 13.17           N  
-ATOM   2460  CA  LEU A 344      26.605 107.640  18.195  1.00 12.75           C  
-ATOM   2461  C   LEU A 344      25.204 108.162  18.499  1.00 12.94           C  
-ATOM   2462  O   LEU A 344      25.029 109.336  18.790  1.00 13.69           O  
-ATOM   2463  CB  LEU A 344      26.782 107.381  16.696  1.00 11.78           C  
-ATOM   2464  CG  LEU A 344      28.235 107.243  16.216  1.00 12.10           C  
-ATOM   2465  CD1 LEU A 344      28.296 106.484  14.898  1.00 10.99           C  
-ATOM   2466  CD2 LEU A 344      28.878 108.619  16.084  1.00  9.97           C  
-ATOM   2467  N   ALA A 345      24.221 107.271  18.513  1.00 14.48           N  
-ATOM   2468  CA  ALA A 345      22.836 107.666  18.770  1.00 15.73           C  
-ATOM   2469  C   ALA A 345      22.571 108.187  20.179  1.00 17.59           C  
-ATOM   2470  O   ALA A 345      21.848 109.170  20.372  1.00 16.82           O  
-ATOM   2471  CB  ALA A 345      21.901 106.496  18.482  1.00 14.79           C  
-ATOM   2472  N   LYS A 346      23.195 107.544  21.153  1.00 18.60           N  
-ATOM   2473  CA  LYS A 346      22.992 107.858  22.562  1.00 21.33           C  
-ATOM   2474  C   LYS A 346      23.956 108.864  23.184  1.00 19.75           C  
-ATOM   2475  O   LYS A 346      23.577 109.609  24.084  1.00 16.97           O  
-ATOM   2476  CB  LYS A 346      23.069 106.539  23.349  1.00 26.45           C  
-ATOM   2477  CG  LYS A 346      22.864 106.624  24.866  1.00 35.81           C  
-ATOM   2478  CD  LYS A 346      21.376 106.593  25.247  1.00 42.58           C  
-ATOM   2479  CE  LYS A 346      20.647 105.411  24.577  1.00 47.01           C  
-ATOM   2480  NZ  LYS A 346      21.269 104.077  24.870  1.00 49.07           N  
-ATOM   2481  N   GLU A 347      25.185 108.922  22.688  1.00 18.67           N  
-ATOM   2482  CA  GLU A 347      26.169 109.787  23.315  1.00 21.15           C  
-ATOM   2483  C   GLU A 347      26.954 110.766  22.452  1.00 19.19           C  
-ATOM   2484  O   GLU A 347      26.951 111.975  22.710  1.00 17.59           O  
-ATOM   2485  CB  GLU A 347      27.165 108.900  24.096  1.00 23.94           C  
-ATOM   2486  CG  GLU A 347      28.212 109.659  24.930  1.00 33.71           C  
-ATOM   2487  CD  GLU A 347      29.531 108.876  25.131  1.00 39.62           C  
-ATOM   2488  OE1 GLU A 347      30.594 109.532  25.279  1.00 41.56           O  
-ATOM   2489  OE2 GLU A 347      29.513 107.617  25.122  1.00 41.47           O  
-ATOM   2490  N   LYS A 348      27.620 110.231  21.436  1.00 17.14           N  
-ATOM   2491  CA  LYS A 348      28.507 111.003  20.580  1.00 17.66           C  
-ATOM   2492  C   LYS A 348      27.914 111.854  19.462  1.00 15.86           C  
-ATOM   2493  O   LYS A 348      28.543 112.817  19.037  1.00 15.46           O  
-ATOM   2494  CB  LYS A 348      29.574 110.062  19.999  1.00 19.67           C  
-ATOM   2495  CG  LYS A 348      30.499 109.423  21.030  1.00 26.70           C  
-ATOM   2496  CD  LYS A 348      31.601 110.389  21.449  1.00 33.14           C  
-ATOM   2497  CE  LYS A 348      32.489 109.824  22.567  1.00 36.70           C  
-ATOM   2498  NZ  LYS A 348      33.167 108.550  22.188  1.00 40.81           N  
-ATOM   2499  N   ASP A 349      26.713 111.529  18.996  1.00 13.90           N  
-ATOM   2500  CA  ASP A 349      26.124 112.280  17.886  1.00 13.08           C  
-ATOM   2501  C   ASP A 349      24.601 112.169  17.970  1.00 12.77           C  
-ATOM   2502  O   ASP A 349      23.911 111.828  16.995  1.00 12.13           O  
-ATOM   2503  CB  ASP A 349      26.649 111.668  16.582  1.00 12.59           C  
-ATOM   2504  CG  ASP A 349      26.518 112.597  15.396  1.00 15.33           C  
-ATOM   2505  OD1 ASP A 349      26.579 113.833  15.563  1.00 15.58           O  
-ATOM   2506  OD2 ASP A 349      26.382 112.068  14.280  1.00 15.78           O  
-ATOM   2507  N   THR A 350      24.083 112.529  19.138  1.00 12.08           N  
-ATOM   2508  CA  THR A 350      22.661 112.436  19.418  1.00 10.54           C  
-ATOM   2509  C   THR A 350      21.766 113.249  18.491  1.00 10.28           C  
-ATOM   2510  O   THR A 350      20.594 112.903  18.329  1.00 11.30           O  
-ATOM   2511  CB  THR A 350      22.353 112.799  20.889  1.00  9.98           C  
-ATOM   2512  OG1 THR A 350      22.697 114.171  21.133  1.00 13.05           O  
-ATOM   2513  CG2 THR A 350      23.166 111.924  21.824  1.00 10.17           C  
-ATOM   2514  N   ILE A 351      22.280 114.325  17.889  1.00 10.05           N  
-ATOM   2515  CA  ILE A 351      21.439 115.110  16.980  1.00 11.25           C  
-ATOM   2516  C   ILE A 351      21.012 114.214  15.796  1.00 12.42           C  
-ATOM   2517  O   ILE A 351      19.932 114.389  15.218  1.00 12.72           O  
-ATOM   2518  CB  ILE A 351      22.143 116.438  16.495  1.00 10.88           C  
-ATOM   2519  CG1 ILE A 351      21.117 117.374  15.840  1.00  9.68           C  
-ATOM   2520  CG2 ILE A 351      23.302 116.163  15.528  1.00  9.64           C  
-ATOM   2521  CD1 ILE A 351      20.258 118.124  16.824  1.00  7.32           C  
-ATOM   2522  N   ARG A 352      21.813 113.189  15.526  1.00 10.68           N  
-ATOM   2523  CA  ARG A 352      21.544 112.264  14.440  1.00 11.27           C  
-ATOM   2524  C   ARG A 352      21.073 110.896  14.949  1.00 12.59           C  
-ATOM   2525  O   ARG A 352      21.180 109.891  14.246  1.00 13.27           O  
-ATOM   2526  CB  ARG A 352      22.793 112.127  13.549  1.00 11.21           C  
-ATOM   2527  CG  ARG A 352      22.839 113.180  12.443  1.00 14.14           C  
-ATOM   2528  CD  ARG A 352      24.194 113.340  11.801  1.00 14.96           C  
-ATOM   2529  NE  ARG A 352      25.111 114.084  12.671  1.00 18.84           N  
-ATOM   2530  CZ  ARG A 352      25.151 115.413  12.841  1.00 18.40           C  
-ATOM   2531  NH1 ARG A 352      24.318 116.246  12.203  1.00 13.71           N  
-ATOM   2532  NH2 ARG A 352      26.052 115.918  13.676  1.00 15.31           N  
-ATOM   2533  N   LYS A 353      20.464 110.865  16.129  1.00 12.57           N  
-ATOM   2534  CA  LYS A 353      20.021 109.597  16.667  1.00 13.47           C  
-ATOM   2535  C   LYS A 353      19.075 108.848  15.735  1.00 12.85           C  
-ATOM   2536  O   LYS A 353      19.187 107.633  15.621  1.00 12.04           O  
-ATOM   2537  CB  LYS A 353      19.403 109.759  18.049  1.00 16.51           C  
-ATOM   2538  CG  LYS A 353      18.033 110.362  18.058  1.00 26.36           C  
-ATOM   2539  CD  LYS A 353      17.207 109.749  19.197  1.00 32.80           C  
-ATOM   2540  CE  LYS A 353      15.837 110.413  19.272  1.00 35.60           C  
-ATOM   2541  NZ  LYS A 353      15.965 111.901  19.368  1.00 32.23           N  
-ATOM   2542  N   GLU A 354      18.154 109.547  15.063  1.00 12.56           N  
-ATOM   2543  CA  GLU A 354      17.229 108.869  14.145  1.00 12.89           C  
-ATOM   2544  C   GLU A 354      17.983 108.245  12.981  1.00 13.70           C  
-ATOM   2545  O   GLU A 354      17.667 107.136  12.545  1.00 13.01           O  
-ATOM   2546  CB  GLU A 354      16.149 109.814  13.607  1.00 14.44           C  
-ATOM   2547  CG  GLU A 354      15.021 110.090  14.577  1.00 17.38           C  
-ATOM   2548  CD  GLU A 354      14.360 108.821  15.127  1.00 21.64           C  
-ATOM   2549  OE1 GLU A 354      14.173 107.831  14.381  1.00 20.98           O  
-ATOM   2550  OE2 GLU A 354      13.997 108.823  16.320  1.00 24.12           O  
-ATOM   2551  N   TYR A 355      18.988 108.949  12.481  1.00 12.05           N  
-ATOM   2552  CA  TYR A 355      19.771 108.418  11.386  1.00 13.22           C  
-ATOM   2553  C   TYR A 355      20.573 107.185  11.849  1.00 13.08           C  
-ATOM   2554  O   TYR A 355      20.551 106.149  11.179  1.00 12.02           O  
-ATOM   2555  CB  TYR A 355      20.700 109.496  10.819  1.00 11.96           C  
-ATOM   2556  CG  TYR A 355      21.722 108.969   9.835  1.00 14.34           C  
-ATOM   2557  CD1 TYR A 355      21.368 108.667   8.525  1.00 13.61           C  
-ATOM   2558  CD2 TYR A 355      23.047 108.768  10.223  1.00 14.31           C  
-ATOM   2559  CE1 TYR A 355      22.319 108.173   7.615  1.00 14.95           C  
-ATOM   2560  CE2 TYR A 355      24.000 108.279   9.327  1.00 16.50           C  
-ATOM   2561  CZ  TYR A 355      23.628 107.981   8.021  1.00 15.98           C  
-ATOM   2562  OH  TYR A 355      24.572 107.484   7.134  1.00 16.71           O  
-ATOM   2563  N   TRP A 356      21.243 107.278  13.001  1.00 12.55           N  
-ATOM   2564  CA  TRP A 356      22.056 106.154  13.506  1.00 12.60           C  
-ATOM   2565  C   TRP A 356      21.237 104.926  13.842  1.00 13.07           C  
-ATOM   2566  O   TRP A 356      21.675 103.798  13.619  1.00 14.76           O  
-ATOM   2567  CB  TRP A 356      22.933 106.584  14.682  1.00 12.09           C  
-ATOM   2568  CG  TRP A 356      24.028 107.511  14.227  1.00 12.01           C  
-ATOM   2569  CD1 TRP A 356      24.210 108.824  14.590  1.00  9.91           C  
-ATOM   2570  CD2 TRP A 356      25.017 107.231  13.225  1.00 11.50           C  
-ATOM   2571  NE1 TRP A 356      25.233 109.376  13.859  1.00 11.34           N  
-ATOM   2572  CE2 TRP A 356      25.747 108.426  13.013  1.00 11.67           C  
-ATOM   2573  CE3 TRP A 356      25.354 106.087  12.479  1.00 12.85           C  
-ATOM   2574  CZ2 TRP A 356      26.794 108.512  12.081  1.00 11.95           C  
-ATOM   2575  CZ3 TRP A 356      26.397 106.171  11.552  1.00 11.96           C  
-ATOM   2576  CH2 TRP A 356      27.102 107.376  11.361  1.00 11.90           C  
-ATOM   2577  N   ARG A 357      20.035 105.142  14.362  1.00 13.16           N  
-ATOM   2578  CA  ARG A 357      19.140 104.035  14.661  1.00 14.92           C  
-ATOM   2579  C   ARG A 357      18.695 103.383  13.349  1.00 13.77           C  
-ATOM   2580  O   ARG A 357      18.571 102.162  13.268  1.00 14.63           O  
-ATOM   2581  CB  ARG A 357      17.950 104.512  15.491  1.00 17.52           C  
-ATOM   2582  CG  ARG A 357      18.161 104.169  16.950  1.00 25.25           C  
-ATOM   2583  CD  ARG A 357      17.594 105.188  17.889  1.00 32.19           C  
-ATOM   2584  NE  ARG A 357      17.840 104.896  19.314  1.00 38.34           N  
-ATOM   2585  CZ  ARG A 357      18.948 104.354  19.839  1.00 40.88           C  
-ATOM   2586  NH1 ARG A 357      19.983 103.983  19.085  1.00 42.65           N  
-ATOM   2587  NH2 ARG A 357      19.064 104.279  21.163  1.00 41.52           N  
-ATOM   2588  N   TYR A 358      18.498 104.189  12.313  1.00 11.20           N  
-ATOM   2589  CA  TYR A 358      18.110 103.653  11.019  1.00 11.01           C  
-ATOM   2590  C   TYR A 358      19.276 102.806  10.466  1.00 11.03           C  
-ATOM   2591  O   TYR A 358      19.061 101.696   9.954  1.00 10.97           O  
-ATOM   2592  CB  TYR A 358      17.731 104.791  10.057  1.00 10.94           C  
-ATOM   2593  CG  TYR A 358      17.773 104.393   8.601  1.00 11.57           C  
-ATOM   2594  CD1 TYR A 358      16.733 103.651   8.027  1.00 11.81           C  
-ATOM   2595  CD2 TYR A 358      18.880 104.712   7.809  1.00 12.79           C  
-ATOM   2596  CE1 TYR A 358      16.799 103.234   6.692  1.00 13.54           C  
-ATOM   2597  CE2 TYR A 358      18.955 104.303   6.472  1.00 12.71           C  
-ATOM   2598  CZ  TYR A 358      17.911 103.568   5.926  1.00 13.80           C  
-ATOM   2599  OH  TYR A 358      17.978 103.194   4.608  1.00 15.00           O  
-ATOM   2600  N   ILE A 359      20.505 103.315  10.585  1.00 11.49           N  
-ATOM   2601  CA  ILE A 359      21.684 102.581  10.122  1.00 11.79           C  
-ATOM   2602  C   ILE A 359      21.775 101.240  10.861  1.00 12.32           C  
-ATOM   2603  O   ILE A 359      22.049 100.205  10.246  1.00 13.00           O  
-ATOM   2604  CB  ILE A 359      22.993 103.410  10.305  1.00 12.55           C  
-ATOM   2605  CG1 ILE A 359      22.942 104.662   9.412  1.00 10.29           C  
-ATOM   2606  CG2 ILE A 359      24.235 102.555   9.988  1.00 10.26           C  
-ATOM   2607  CD1 ILE A 359      22.770 104.358   7.907  1.00 11.04           C  
-ATOM   2608  N   GLY A 360      21.494 101.248  12.164  1.00 12.52           N  
-ATOM   2609  CA  GLY A 360      21.530 100.013  12.937  1.00 11.20           C  
-ATOM   2610  C   GLY A 360      20.523  99.000  12.413  1.00 13.02           C  
-ATOM   2611  O   GLY A 360      20.839  97.812  12.246  1.00 12.13           O  
-ATOM   2612  N   ARG A 361      19.295  99.447  12.162  1.00 11.00           N  
-ATOM   2613  CA  ARG A 361      18.282  98.549  11.626  1.00 11.54           C  
-ATOM   2614  C   ARG A 361      18.641  98.077  10.198  1.00 12.75           C  
-ATOM   2615  O   ARG A 361      18.410  96.920   9.866  1.00 12.94           O  
-ATOM   2616  CB  ARG A 361      16.890  99.203  11.640  1.00 10.95           C  
-ATOM   2617  CG  ARG A 361      16.372  99.540  13.027  1.00 11.14           C  
-ATOM   2618  CD  ARG A 361      14.901  99.964  13.003  1.00 12.76           C  
-ATOM   2619  NE  ARG A 361      14.650 101.129  12.151  1.00 12.61           N  
-ATOM   2620  CZ  ARG A 361      14.748 102.398  12.547  1.00 12.50           C  
-ATOM   2621  NH1 ARG A 361      15.095 102.684  13.795  1.00 10.69           N  
-ATOM   2622  NH2 ARG A 361      14.482 103.387  11.694  1.00 11.69           N  
-ATOM   2623  N   SER A 362      19.233  98.948   9.371  1.00 13.79           N  
-ATOM   2624  CA  SER A 362      19.607  98.568   7.995  1.00 13.90           C  
-ATOM   2625  C   SER A 362      20.631  97.460   8.035  1.00 12.45           C  
-ATOM   2626  O   SER A 362      20.525  96.474   7.307  1.00 12.70           O  
-ATOM   2627  CB  SER A 362      20.241  99.727   7.220  1.00 15.65           C  
-ATOM   2628  OG  SER A 362      19.385 100.831   7.173  1.00 24.21           O  
-ATOM   2629  N   LEU A 363      21.657  97.665   8.854  1.00 12.09           N  
-ATOM   2630  CA  LEU A 363      22.718  96.684   9.003  1.00 13.96           C  
-ATOM   2631  C   LEU A 363      22.148  95.321   9.366  1.00 13.99           C  
-ATOM   2632  O   LEU A 363      22.591  94.307   8.822  1.00 15.82           O  
-ATOM   2633  CB  LEU A 363      23.728  97.137  10.059  1.00 14.27           C  
-ATOM   2634  CG  LEU A 363      24.637  98.306   9.666  1.00 16.26           C  
-ATOM   2635  CD1 LEU A 363      25.350  98.828  10.904  1.00 17.30           C  
-ATOM   2636  CD2 LEU A 363      25.642  97.884   8.592  1.00 17.14           C  
-ATOM   2637  N   GLN A 364      21.170  95.288  10.271  1.00 13.50           N  
-ATOM   2638  CA  GLN A 364      20.556  94.024  10.673  1.00 13.46           C  
-ATOM   2639  C   GLN A 364      19.680  93.414   9.590  1.00 14.84           C  
-ATOM   2640  O   GLN A 364      19.583  92.187   9.502  1.00 15.13           O  
-ATOM   2641  CB  GLN A 364      19.733  94.188  11.946  1.00 13.57           C  
-ATOM   2642  CG  GLN A 364      20.574  94.478  13.167  1.00 15.73           C  
-ATOM   2643  CD  GLN A 364      19.734  94.841  14.357  1.00 18.52           C  
-ATOM   2644  OE1 GLN A 364      19.620  96.021  14.716  1.00 21.94           O  
-ATOM   2645  NE2 GLN A 364      19.117  93.843  14.971  1.00 18.73           N  
-ATOM   2646  N   SER A 365      19.020  94.248   8.788  1.00 14.88           N  
-ATOM   2647  CA  SER A 365      18.157  93.738   7.721  1.00 16.52           C  
-ATOM   2648  C   SER A 365      18.997  93.148   6.588  1.00 17.69           C  
-ATOM   2649  O   SER A 365      18.557  92.255   5.861  1.00 18.49           O  
-ATOM   2650  CB  SER A 365      17.259  94.845   7.166  1.00 17.03           C  
-ATOM   2651  OG  SER A 365      18.038  95.821   6.506  1.00 20.79           O  
-ATOM   2652  N   LYS A 366      20.226  93.629   6.461  1.00 18.06           N  
-ATOM   2653  CA  LYS A 366      21.108  93.156   5.408  1.00 19.65           C  
-ATOM   2654  C   LYS A 366      22.126  92.084   5.774  1.00 20.02           C  
-ATOM   2655  O   LYS A 366      22.519  91.306   4.910  1.00 20.34           O  
-ATOM   2656  CB  LYS A 366      21.879  94.328   4.815  1.00 19.77           C  
-ATOM   2657  CG  LYS A 366      21.048  95.432   4.244  1.00 20.95           C  
-ATOM   2658  CD  LYS A 366      21.980  96.538   3.865  1.00 24.88           C  
-ATOM   2659  CE  LYS A 366      21.281  97.605   3.074  1.00 28.97           C  
-ATOM   2660  NZ  LYS A 366      22.290  98.632   2.682  1.00 33.46           N  
-ATOM   2661  N   HIS A 367      22.536  92.002   7.034  1.00 22.01           N  
-ATOM   2662  CA  HIS A 367      23.606  91.060   7.375  1.00 27.02           C  
-ATOM   2663  C   HIS A 367      23.465  90.162   8.595  1.00 31.60           C  
-ATOM   2664  O   HIS A 367      24.471  89.607   9.055  1.00 30.30           O  
-ATOM   2665  CB  HIS A 367      24.939  91.829   7.518  1.00 24.77           C  
-ATOM   2666  CG  HIS A 367      25.220  92.792   6.398  1.00 25.73           C  
-ATOM   2667  ND1 HIS A 367      25.122  94.163   6.549  1.00 25.66           N  
-ATOM   2668  CD2 HIS A 367      25.564  92.583   5.103  1.00 23.82           C  
-ATOM   2669  CE1 HIS A 367      25.387  94.752   5.396  1.00 23.88           C  
-ATOM   2670  NE2 HIS A 367      25.658  93.816   4.503  1.00 25.78           N  
-ATOM   2671  N   SER A 368      22.255  89.976   9.113  1.00 37.49           N  
-ATOM   2672  CA  SER A 368      22.121  89.137  10.307  1.00 41.72           C  
-ATOM   2673  C   SER A 368      22.374  87.627  10.146  1.00 45.54           C  
-ATOM   2674  O   SER A 368      22.982  87.020  11.041  1.00 47.86           O  
-ATOM   2675  CB  SER A 368      20.836  89.455  11.072  1.00 41.27           C  
-ATOM   2676  OG  SER A 368      20.922  90.758  11.648  1.00 36.54           O  
-ATOM   2677  N   THR A 369      21.983  87.047   9.006  1.00 48.31           N  
-ATOM   2678  CA  THR A 369      22.214  85.618   8.698  1.00 52.33           C  
-ATOM   2679  C   THR A 369      22.065  84.609   9.860  1.00 55.50           C  
-ATOM   2680  O   THR A 369      21.028  84.666  10.558  1.00 58.40           O  
-ATOM   2681  CB  THR A 369      23.610  85.402   8.048  1.00 52.13           C  
-ATOM   2682  OG1 THR A 369      23.970  86.563   7.290  1.00 52.41           O  
-ATOM   2683  CG2 THR A 369      23.588  84.170   7.119  1.00 52.43           C  
-ATOM   2685  N   SER B  15       5.483 111.933  35.307  1.00 48.14           N  
-ATOM   2686  CA  SER B  15       6.346 112.716  34.382  1.00 47.18           C  
-ATOM   2687  C   SER B  15       6.330 114.202  34.780  1.00 45.20           C  
-ATOM   2688  O   SER B  15       6.454 114.517  35.970  1.00 45.63           O  
-ATOM   2689  CB  SER B  15       5.873 112.504  32.937  1.00 48.32           C  
-ATOM   2690  OG  SER B  15       4.478 112.256  32.904  1.00 49.51           O  
-ATOM   2691  N   SER B  16       6.184 115.100  33.807  1.00 40.39           N  
-ATOM   2692  CA  SER B  16       6.163 116.538  34.081  1.00 36.64           C  
-ATOM   2693  C   SER B  16       4.742 117.080  34.176  1.00 32.29           C  
-ATOM   2694  O   SER B  16       3.797 116.485  33.639  1.00 32.47           O  
-ATOM   2695  CB  SER B  16       6.842 117.324  32.941  1.00 36.68           C  
-ATOM   2696  OG  SER B  16       8.193 116.960  32.739  1.00 41.03           O  
-ATOM   2697  N   PRO B  17       4.559 118.180  34.925  1.00 28.24           N  
-ATOM   2698  CA  PRO B  17       3.223 118.770  35.025  1.00 23.31           C  
-ATOM   2699  C   PRO B  17       3.013 119.323  33.598  1.00 21.16           C  
-ATOM   2700  O   PRO B  17       3.998 119.607  32.902  1.00 19.21           O  
-ATOM   2701  CB  PRO B  17       3.441 119.911  36.010  1.00 24.37           C  
-ATOM   2702  CG  PRO B  17       4.579 119.418  36.860  1.00 26.60           C  
-ATOM   2703  CD  PRO B  17       5.500 118.835  35.850  1.00 26.68           C  
-ATOM   2704  N   VAL B  18       1.774 119.502  33.154  1.00 18.03           N  
-ATOM   2705  CA  VAL B  18       1.540 119.990  31.791  1.00 16.84           C  
-ATOM   2706  C   VAL B  18       2.135 121.357  31.491  1.00 17.13           C  
-ATOM   2707  O   VAL B  18       2.320 121.703  30.329  1.00 17.67           O  
-ATOM   2708  CB  VAL B  18       0.035 120.036  31.445  1.00 16.32           C  
-ATOM   2709  CG1 VAL B  18      -0.556 118.651  31.532  1.00 18.00           C  
-ATOM   2710  CG2 VAL B  18      -0.709 121.002  32.371  1.00 15.49           C  
-ATOM   2711  N   TRP B  19       2.451 122.126  32.531  1.00 16.44           N  
-ATOM   2712  CA  TRP B  19       2.978 123.476  32.353  1.00 15.80           C  
-ATOM   2713  C   TRP B  19       4.491 123.597  32.248  1.00 16.36           C  
-ATOM   2714  O   TRP B  19       5.025 124.704  32.238  1.00 17.32           O  
-ATOM   2715  CB  TRP B  19       2.420 124.426  33.427  1.00 17.25           C  
-ATOM   2716  CG  TRP B  19       2.435 123.848  34.829  1.00 18.02           C  
-ATOM   2717  CD1 TRP B  19       1.366 123.334  35.521  1.00 18.96           C  
-ATOM   2718  CD2 TRP B  19       3.577 123.688  35.682  1.00 18.05           C  
-ATOM   2719  NE1 TRP B  19       1.778 122.859  36.744  1.00 19.73           N  
-ATOM   2720  CE2 TRP B  19       3.129 123.064  36.870  1.00 19.49           C  
-ATOM   2721  CE3 TRP B  19       4.938 124.008  35.557  1.00 16.67           C  
-ATOM   2722  CZ2 TRP B  19       3.994 122.752  37.926  1.00 18.57           C  
-ATOM   2723  CZ3 TRP B  19       5.800 123.700  36.607  1.00 16.79           C  
-ATOM   2724  CH2 TRP B  19       5.321 123.077  37.778  1.00 18.90           C  
-ATOM   2725  N   SER B  20       5.197 122.476  32.239  1.00 16.54           N  
-ATOM   2726  CA  SER B  20       6.643 122.524  32.080  1.00 16.75           C  
-ATOM   2727  C   SER B  20       6.975 121.445  31.073  1.00 17.02           C  
-ATOM   2728  O   SER B  20       6.431 120.342  31.137  1.00 18.13           O  
-ATOM   2729  CB  SER B  20       7.388 122.285  33.403  1.00 17.16           C  
-ATOM   2730  OG  SER B  20       8.791 122.497  33.232  1.00 16.36           O  
-ATOM   2731  N   GLU B  21       7.816 121.773  30.104  1.00 16.58           N  
-ATOM   2732  CA  GLU B  21       8.194 120.802  29.092  1.00 16.21           C  
-ATOM   2733  C   GLU B  21       9.693 120.867  28.865  1.00 16.38           C  
-ATOM   2734  O   GLU B  21      10.213 121.864  28.364  1.00 15.69           O  
-ATOM   2735  CB  GLU B  21       7.441 121.067  27.793  1.00 17.74           C  
-ATOM   2736  CG  GLU B  21       7.847 120.147  26.667  1.00 18.81           C  
-ATOM   2737  CD  GLU B  21       6.891 120.224  25.501  1.00 22.58           C  
-ATOM   2738  OE1 GLU B  21       6.569 121.334  25.038  1.00 19.98           O  
-ATOM   2739  OE2 GLU B  21       6.448 119.160  25.050  1.00 25.45           O  
-ATOM   2740  N   PRO B  22      10.418 119.846  29.344  1.00 17.06           N  
-ATOM   2741  CA  PRO B  22      11.874 119.756  29.206  1.00 17.31           C  
-ATOM   2742  C   PRO B  22      12.292 119.892  27.740  1.00 17.35           C  
-ATOM   2743  O   PRO B  22      11.626 119.367  26.840  1.00 18.40           O  
-ATOM   2744  CB  PRO B  22      12.173 118.358  29.747  1.00 19.02           C  
-ATOM   2745  CG  PRO B  22      11.101 118.182  30.825  1.00 19.11           C  
-ATOM   2746  CD  PRO B  22       9.878 118.712  30.126  1.00 18.64           C  
-ATOM   2747  N   LEU B  23      13.402 120.578  27.501  1.00 14.66           N  
-ATOM   2748  CA  LEU B  23      13.892 120.787  26.142  1.00 14.38           C  
-ATOM   2749  C   LEU B  23      15.259 120.152  25.910  1.00 14.91           C  
-ATOM   2750  O   LEU B  23      16.145 120.191  26.767  1.00 15.39           O  
-ATOM   2751  CB  LEU B  23      13.947 122.290  25.808  1.00 12.84           C  
-ATOM   2752  CG  LEU B  23      12.597 123.030  25.814  1.00 14.08           C  
-ATOM   2753  CD1 LEU B  23      12.778 124.502  25.467  1.00 12.69           C  
-ATOM   2754  CD2 LEU B  23      11.608 122.351  24.861  1.00 12.17           C  
-ATOM   2755  N   TYR B  24      15.422 119.584  24.723  1.00 13.46           N  
-ATOM   2756  CA  TYR B  24      16.661 118.940  24.316  1.00 14.29           C  
-ATOM   2757  C   TYR B  24      17.838 119.918  24.409  1.00 13.79           C  
-ATOM   2758  O   TYR B  24      18.907 119.579  24.912  1.00 15.09           O  
-ATOM   2759  CB  TYR B  24      16.500 118.443  22.866  1.00 13.77           C  
-ATOM   2760  CG  TYR B  24      17.744 117.854  22.244  1.00 13.31           C  
-ATOM   2761  CD1 TYR B  24      18.146 116.551  22.536  1.00 13.81           C  
-ATOM   2762  CD2 TYR B  24      18.490 118.584  21.316  1.00 13.04           C  
-ATOM   2763  CE1 TYR B  24      19.257 115.989  21.908  1.00 14.20           C  
-ATOM   2764  CE2 TYR B  24      19.597 118.035  20.690  1.00 13.06           C  
-ATOM   2765  CZ  TYR B  24      19.967 116.743  20.986  1.00 13.50           C  
-ATOM   2766  OH  TYR B  24      21.023 116.193  20.333  1.00 14.96           O  
-ATOM   2767  N   SER B  25      17.619 121.141  23.949  1.00 13.54           N  
-ATOM   2768  CA  SER B  25      18.656 122.167  23.940  1.00 15.01           C  
-ATOM   2769  C   SER B  25      19.049 122.670  25.312  1.00 15.36           C  
-ATOM   2770  O   SER B  25      20.068 123.344  25.445  1.00 15.51           O  
-ATOM   2771  CB  SER B  25      18.214 123.355  23.086  1.00 16.30           C  
-ATOM   2772  OG  SER B  25      17.886 122.926  21.778  1.00 17.70           O  
-ATOM   2773  N   LEU B  26      18.242 122.352  26.321  1.00 16.76           N  
-ATOM   2774  CA  LEU B  26      18.501 122.794  27.689  1.00 18.89           C  
-ATOM   2775  C   LEU B  26      19.047 121.706  28.610  1.00 19.34           C  
-ATOM   2776  O   LEU B  26      19.295 121.966  29.784  1.00 20.56           O  
-ATOM   2777  CB  LEU B  26      17.236 123.410  28.297  1.00 20.10           C  
-ATOM   2778  CG  LEU B  26      16.644 124.616  27.569  1.00 21.15           C  
-ATOM   2779  CD1 LEU B  26      15.441 125.129  28.328  1.00 22.21           C  
-ATOM   2780  CD2 LEU B  26      17.672 125.697  27.461  1.00 24.18           C  
-ATOM   2781  N   ARG B  27      19.229 120.495  28.090  1.00 20.10           N  
-ATOM   2782  CA  ARG B  27      19.784 119.396  28.886  1.00 22.10           C  
-ATOM   2783  C   ARG B  27      21.211 119.779  29.270  1.00 23.12           C  
-ATOM   2784  O   ARG B  27      21.912 120.456  28.504  1.00 20.72           O  
-ATOM   2785  CB  ARG B  27      19.829 118.090  28.079  1.00 24.05           C  
-ATOM   2786  CG  ARG B  27      18.472 117.567  27.688  1.00 30.60           C  
-ATOM   2787  CD  ARG B  27      18.527 116.229  26.965  1.00 36.60           C  
-ATOM   2788  NE  ARG B  27      17.181 115.863  26.510  1.00 45.16           N  
-ATOM   2789  CZ  ARG B  27      16.882 114.819  25.733  1.00 48.21           C  
-ATOM   2790  NH1 ARG B  27      17.834 113.989  25.303  1.00 48.43           N  
-ATOM   2791  NH2 ARG B  27      15.623 114.635  25.337  1.00 48.15           N  
-ATOM   2792  N   PRO B  28      21.676 119.341  30.453  1.00 23.83           N  
-ATOM   2793  CA  PRO B  28      23.047 119.693  30.843  1.00 23.78           C  
-ATOM   2794  C   PRO B  28      24.115 119.156  29.875  1.00 21.87           C  
-ATOM   2795  O   PRO B  28      25.122 119.823  29.632  1.00 22.01           O  
-ATOM   2796  CB  PRO B  28      23.169 119.088  32.248  1.00 24.24           C  
-ATOM   2797  CG  PRO B  28      22.197 117.949  32.227  1.00 23.90           C  
-ATOM   2798  CD  PRO B  28      21.014 118.546  31.501  1.00 23.49           C  
-ATOM   2799  N   GLU B  29      23.869 117.991  29.273  1.00 21.76           N  
-ATOM   2800  CA  GLU B  29      24.834 117.409  28.336  1.00 22.32           C  
-ATOM   2801  C   GLU B  29      24.931 118.228  27.063  1.00 19.98           C  
-ATOM   2802  O   GLU B  29      25.867 118.060  26.293  1.00 19.29           O  
-ATOM   2803  CB  GLU B  29      24.456 115.992  27.893  1.00 25.21           C  
-ATOM   2804  CG  GLU B  29      23.764 115.144  28.895  1.00 34.25           C  
-ATOM   2805  CD  GLU B  29      22.289 115.420  28.920  1.00 37.80           C  
-ATOM   2806  OE1 GLU B  29      21.831 116.038  29.904  1.00 40.29           O  
-ATOM   2807  OE2 GLU B  29      21.593 115.023  27.954  1.00 40.68           O  
-ATOM   2808  N   HIS B  30      23.947 119.080  26.814  1.00 17.71           N  
-ATOM   2809  CA  HIS B  30      23.957 119.858  25.585  1.00 16.60           C  
-ATOM   2810  C   HIS B  30      25.171 120.773  25.479  1.00 17.21           C  
-ATOM   2811  O   HIS B  30      25.649 121.045  24.373  1.00 16.33           O  
-ATOM   2812  CB  HIS B  30      22.653 120.642  25.413  1.00 15.78           C  
-ATOM   2813  CG  HIS B  30      22.387 121.041  23.995  1.00 15.81           C  
-ATOM   2814  ND1 HIS B  30      22.495 122.345  23.557  1.00 16.05           N  
-ATOM   2815  CD2 HIS B  30      22.068 120.301  22.906  1.00 14.53           C  
-ATOM   2816  CE1 HIS B  30      22.256 122.391  22.258  1.00 13.92           C  
-ATOM   2817  NE2 HIS B  30      21.995 121.167  21.839  1.00 16.83           N  
-ATOM   2818  N   ALA B  31      25.704 121.206  26.621  1.00 16.51           N  
-ATOM   2819  CA  ALA B  31      26.881 122.069  26.623  1.00 16.50           C  
-ATOM   2820  C   ALA B  31      28.059 121.371  25.944  1.00 17.27           C  
-ATOM   2821  O   ALA B  31      28.922 122.027  25.356  1.00 18.09           O  
-ATOM   2822  CB  ALA B  31      27.247 122.463  28.037  1.00 18.63           C  
-ATOM   2823  N   ARG B  32      28.065 120.040  25.973  1.00 17.76           N  
-ATOM   2824  CA  ARG B  32      29.132 119.258  25.346  1.00 19.70           C  
-ATOM   2825  C   ARG B  32      29.155 119.409  23.831  1.00 19.51           C  
-ATOM   2826  O   ARG B  32      30.149 119.080  23.187  1.00 18.21           O  
-ATOM   2827  CB  ARG B  32      28.952 117.777  25.651  1.00 24.39           C  
-ATOM   2828  CG  ARG B  32      29.962 117.236  26.615  1.00 35.73           C  
-ATOM   2829  CD  ARG B  32      29.417 117.189  28.015  1.00 42.75           C  
-ATOM   2830  NE  ARG B  32      28.660 115.963  28.252  1.00 49.16           N  
-ATOM   2831  CZ  ARG B  32      28.018 115.687  29.387  1.00 52.81           C  
-ATOM   2832  NH1 ARG B  32      28.033 116.554  30.405  1.00 53.22           N  
-ATOM   2833  NH2 ARG B  32      27.358 114.538  29.508  1.00 54.03           N  
-ATOM   2834  N   GLU B  33      28.050 119.883  23.265  1.00 17.79           N  
-ATOM   2835  CA  GLU B  33      27.921 120.032  21.819  1.00 18.04           C  
-ATOM   2836  C   GLU B  33      28.518 121.307  21.236  1.00 18.17           C  
-ATOM   2837  O   GLU B  33      28.445 121.526  20.019  1.00 16.86           O  
-ATOM   2838  CB  GLU B  33      26.446 119.918  21.409  1.00 19.08           C  
-ATOM   2839  CG  GLU B  33      25.760 118.642  21.871  1.00 19.42           C  
-ATOM   2840  CD  GLU B  33      26.452 117.389  21.383  1.00 24.50           C  
-ATOM   2841  OE1 GLU B  33      27.090 117.414  20.317  1.00 27.28           O  
-ATOM   2842  OE2 GLU B  33      26.365 116.360  22.071  1.00 28.59           O  
-ATOM   2843  N   ARG B  34      29.087 122.156  22.092  1.00 15.72           N  
-ATOM   2844  CA  ARG B  34      29.691 123.390  21.622  1.00 15.69           C  
-ATOM   2845  C   ARG B  34      30.876 123.041  20.754  1.00 15.10           C  
-ATOM   2846  O   ARG B  34      31.508 121.994  20.925  1.00 16.04           O  
-ATOM   2847  CB  ARG B  34      30.137 124.277  22.789  1.00 16.94           C  
-ATOM   2848  CG  ARG B  34      28.985 124.895  23.585  1.00 20.02           C  
-ATOM   2849  CD  ARG B  34      28.276 126.005  22.816  1.00 21.18           C  
-ATOM   2850  NE  ARG B  34      29.041 127.248  22.762  1.00 22.89           N  
-ATOM   2851  CZ  ARG B  34      28.959 128.224  23.670  1.00 24.90           C  
-ATOM   2852  NH1 ARG B  34      28.150 128.111  24.715  1.00 25.96           N  
-ATOM   2853  NH2 ARG B  34      29.661 129.337  23.518  1.00 23.95           N  
-ATOM   2854  N   LEU B  35      31.196 123.947  19.849  1.00 16.22           N  
-ATOM   2855  CA  LEU B  35      32.296 123.765  18.910  1.00 17.95           C  
-ATOM   2856  C   LEU B  35      33.640 123.457  19.562  1.00 18.41           C  
-ATOM   2857  O   LEU B  35      34.009 124.070  20.561  1.00 18.27           O  
-ATOM   2858  CB  LEU B  35      32.457 125.035  18.068  1.00 17.32           C  
-ATOM   2859  CG  LEU B  35      33.614 125.044  17.069  1.00 17.81           C  
-ATOM   2860  CD1 LEU B  35      33.345 124.008  15.977  1.00 17.25           C  
-ATOM   2861  CD2 LEU B  35      33.788 126.436  16.472  1.00 17.96           C  
-ATOM   2862  N   GLN B  36      34.360 122.494  19.005  1.00 18.13           N  
-ATOM   2863  CA  GLN B  36      35.701 122.176  19.484  1.00 17.47           C  
-ATOM   2864  C   GLN B  36      36.586 122.629  18.335  1.00 16.76           C  
-ATOM   2865  O   GLN B  36      36.583 122.003  17.271  1.00 17.68           O  
-ATOM   2866  CB  GLN B  36      35.849 120.675  19.742  1.00 16.54           C  
-ATOM   2867  CG  GLN B  36      35.070 120.218  20.979  1.00 18.52           C  
-ATOM   2868  CD  GLN B  36      35.197 118.737  21.247  1.00 19.96           C  
-ATOM   2869  OE1 GLN B  36      34.218 117.997  21.188  1.00 22.36           O  
-ATOM   2870  NE2 GLN B  36      36.404 118.295  21.548  1.00 20.15           N  
-ATOM   2871  N   ASP B  37      37.272 123.758  18.511  1.00 16.10           N  
-ATOM   2872  CA  ASP B  37      38.128 124.299  17.458  1.00 16.63           C  
-ATOM   2873  C   ASP B  37      39.551 123.765  17.414  1.00 17.00           C  
-ATOM   2874  O   ASP B  37      40.371 124.259  16.639  1.00 16.42           O  
-ATOM   2875  CB  ASP B  37      38.140 125.835  17.468  1.00 18.51           C  
-ATOM   2876  CG  ASP B  37      38.872 126.430  18.677  1.00 20.36           C  
-ATOM   2877  OD1 ASP B  37      39.403 125.680  19.523  1.00 18.83           O  
-ATOM   2878  OD2 ASP B  37      38.912 127.671  18.770  1.00 21.48           O  
-ATOM   2879  N   ASP B  38      39.847 122.783  18.264  1.00 16.51           N  
-ATOM   2880  CA  ASP B  38      41.172 122.154  18.316  1.00 17.84           C  
-ATOM   2881  C   ASP B  38      42.303 123.155  18.524  1.00 18.24           C  
-ATOM   2882  O   ASP B  38      43.452 122.869  18.206  1.00 17.79           O  
-ATOM   2883  CB  ASP B  38      41.421 121.348  17.030  1.00 16.08           C  
-ATOM   2884  CG  ASP B  38      40.303 120.373  16.738  1.00 18.00           C  
-ATOM   2885  OD1 ASP B  38      39.983 119.565  17.626  1.00 16.75           O  
-ATOM   2886  OD2 ASP B  38      39.726 120.420  15.632  1.00 18.29           O  
-ATOM   2887  N   SER B  39      41.968 124.315  19.075  1.00 19.65           N  
-ATOM   2888  CA  SER B  39      42.941 125.377  19.300  1.00 21.67           C  
-ATOM   2889  C   SER B  39      43.523 125.926  17.995  1.00 22.35           C  
-ATOM   2890  O   SER B  39      44.599 126.521  17.987  1.00 24.04           O  
-ATOM   2891  CB  SER B  39      44.056 124.901  20.241  1.00 22.93           C  
-ATOM   2892  OG  SER B  39      43.536 124.679  21.544  1.00 24.43           O  
-ATOM   2893  N   VAL B  40      42.826 125.707  16.885  1.00 22.15           N  
-ATOM   2894  CA  VAL B  40      43.261 126.220  15.590  1.00 20.91           C  
-ATOM   2895  C   VAL B  40      42.112 127.094  15.113  1.00 21.59           C  
-ATOM   2896  O   VAL B  40      41.078 126.586  14.682  1.00 21.04           O  
-ATOM   2897  CB  VAL B  40      43.503 125.096  14.566  1.00 20.77           C  
-ATOM   2898  CG1 VAL B  40      43.977 125.689  13.235  1.00 19.97           C  
-ATOM   2899  CG2 VAL B  40      44.539 124.125  15.098  1.00 22.00           C  
-ATOM   2900  N   GLU B  41      42.267 128.403  15.262  1.00 20.91           N  
-ATOM   2901  CA  GLU B  41      41.230 129.344  14.873  1.00 22.21           C  
-ATOM   2902  C   GLU B  41      41.344 129.800  13.437  1.00 20.50           C  
-ATOM   2903  O   GLU B  41      42.430 130.084  12.954  1.00 20.79           O  
-ATOM   2904  CB  GLU B  41      41.266 130.587  15.761  1.00 25.93           C  
-ATOM   2905  CG  GLU B  41      41.140 130.336  17.252  1.00 31.17           C  
-ATOM   2906  CD  GLU B  41      41.020 131.634  18.042  1.00 35.84           C  
-ATOM   2907  OE1 GLU B  41      41.404 132.703  17.510  1.00 36.80           O  
-ATOM   2908  OE2 GLU B  41      40.523 131.591  19.189  1.00 38.38           O  
-ATOM   2909  N   THR B  42      40.217 129.844  12.744  1.00 17.60           N  
-ATOM   2910  CA  THR B  42      40.188 130.328  11.371  1.00 15.91           C  
-ATOM   2911  C   THR B  42      38.890 131.120  11.307  1.00 15.36           C  
-ATOM   2912  O   THR B  42      38.077 131.043  12.236  1.00 15.15           O  
-ATOM   2913  CB  THR B  42      40.171 129.191  10.312  1.00 15.36           C  
-ATOM   2914  OG1 THR B  42      38.956 128.446  10.421  1.00 16.40           O  
-ATOM   2915  CG2 THR B  42      41.360 128.255  10.479  1.00 15.48           C  
-ATOM   2916  N   VAL B  43      38.688 131.866  10.229  1.00 15.05           N  
-ATOM   2917  CA  VAL B  43      37.472 132.663  10.078  1.00 17.20           C  
-ATOM   2918  C   VAL B  43      36.226 131.803  10.307  1.00 15.28           C  
-ATOM   2919  O   VAL B  43      35.299 132.222  10.990  1.00 15.24           O  
-ATOM   2920  CB  VAL B  43      37.404 133.338   8.678  1.00 19.27           C  
-ATOM   2921  CG1 VAL B  43      36.074 134.080   8.501  1.00 21.64           C  
-ATOM   2922  CG2 VAL B  43      38.552 134.323   8.532  1.00 20.75           C  
-ATOM   2923  N   THR B  44      36.236 130.582   9.789  1.00 14.25           N  
-ATOM   2924  CA  THR B  44      35.093 129.683   9.960  1.00 14.67           C  
-ATOM   2925  C   THR B  44      34.758 129.387  11.429  1.00 15.49           C  
-ATOM   2926  O   THR B  44      33.604 129.546  11.854  1.00 15.14           O  
-ATOM   2927  CB  THR B  44      35.325 128.340   9.230  1.00 13.90           C  
-ATOM   2928  OG1 THR B  44      35.462 128.583   7.825  1.00 14.37           O  
-ATOM   2929  CG2 THR B  44      34.150 127.381   9.465  1.00 12.11           C  
-ATOM   2930  N   SER B  45      35.754 128.961  12.210  1.00 15.34           N  
-ATOM   2931  CA  SER B  45      35.501 128.628  13.616  1.00 15.78           C  
-ATOM   2932  C   SER B  45      35.121 129.852  14.436  1.00 16.38           C  
-ATOM   2933  O   SER B  45      34.286 129.759  15.334  1.00 16.85           O  
-ATOM   2934  CB  SER B  45      36.690 127.890  14.254  1.00 15.61           C  
-ATOM   2935  OG  SER B  45      37.872 128.670  14.223  1.00 16.31           O  
-ATOM   2936  N   ILE B  46      35.726 130.993  14.116  1.00 16.01           N  
-ATOM   2937  CA  ILE B  46      35.444 132.242  14.813  1.00 16.49           C  
-ATOM   2938  C   ILE B  46      33.979 132.634  14.609  1.00 16.45           C  
-ATOM   2939  O   ILE B  46      33.286 133.004  15.567  1.00 15.58           O  
-ATOM   2940  CB  ILE B  46      36.392 133.367  14.325  1.00 17.80           C  
-ATOM   2941  CG1 ILE B  46      37.810 133.087  14.837  1.00 18.45           C  
-ATOM   2942  CG2 ILE B  46      35.891 134.744  14.786  1.00 18.03           C  
-ATOM   2943  CD1 ILE B  46      38.859 133.976  14.241  1.00 22.68           C  
-ATOM   2944  N   GLU B  47      33.490 132.517  13.378  1.00 15.35           N  
-ATOM   2945  CA  GLU B  47      32.096 132.863  13.111  1.00 16.51           C  
-ATOM   2946  C   GLU B  47      31.121 131.883  13.768  1.00 14.28           C  
-ATOM   2947  O   GLU B  47      30.093 132.286  14.325  1.00 12.91           O  
-ATOM   2948  CB  GLU B  47      31.845 132.951  11.608  1.00 18.82           C  
-ATOM   2949  CG  GLU B  47      32.598 134.088  10.956  1.00 24.73           C  
-ATOM   2950  CD  GLU B  47      32.389 135.403  11.695  1.00 31.41           C  
-ATOM   2951  OE1 GLU B  47      31.226 135.878  11.735  1.00 32.50           O  
-ATOM   2952  OE2 GLU B  47      33.378 135.945  12.260  1.00 32.76           O  
-ATOM   2953  N   GLN B  48      31.455 130.598  13.709  1.00 13.49           N  
-ATOM   2954  CA  GLN B  48      30.621 129.560  14.299  1.00 13.36           C  
-ATOM   2955  C   GLN B  48      30.505 129.778  15.805  1.00 15.10           C  
-ATOM   2956  O   GLN B  48      29.403 129.753  16.361  1.00 15.19           O  
-ATOM   2957  CB  GLN B  48      31.197 128.176  13.987  1.00 12.78           C  
-ATOM   2958  CG  GLN B  48      30.405 127.009  14.578  1.00 11.85           C  
-ATOM   2959  CD  GLN B  48      28.958 127.004  14.143  1.00 13.72           C  
-ATOM   2960  OE1 GLN B  48      28.609 127.540  13.086  1.00 14.14           O  
-ATOM   2961  NE2 GLN B  48      28.100 126.411  14.957  1.00 11.89           N  
-ATOM   2962  N   ALA B  49      31.635 130.051  16.451  1.00 16.21           N  
-ATOM   2963  CA  ALA B  49      31.669 130.291  17.893  1.00 16.94           C  
-ATOM   2964  C   ALA B  49      30.837 131.518  18.274  1.00 16.79           C  
-ATOM   2965  O   ALA B  49      30.149 131.513  19.296  1.00 18.50           O  
-ATOM   2966  CB  ALA B  49      33.116 130.443  18.371  1.00 17.64           C  
-ATOM   2967  N   LYS B  50      30.879 132.567  17.462  1.00 16.72           N  
-ATOM   2968  CA  LYS B  50      30.089 133.762  17.744  1.00 16.25           C  
-ATOM   2969  C   LYS B  50      28.597 133.443  17.734  1.00 17.29           C  
-ATOM   2970  O   LYS B  50      27.842 133.888  18.608  1.00 16.94           O  
-ATOM   2971  CB  LYS B  50      30.411 134.866  16.741  1.00 18.71           C  
-ATOM   2972  CG  LYS B  50      31.522 135.768  17.230  1.00 24.91           C  
-ATOM   2973  CD  LYS B  50      32.384 136.317  16.113  1.00 30.53           C  
-ATOM   2974  CE  LYS B  50      31.598 137.151  15.128  1.00 33.95           C  
-ATOM   2975  NZ  LYS B  50      32.546 137.869  14.213  1.00 37.42           N  
-ATOM   2976  N   VAL B  51      28.174 132.644  16.762  1.00 15.73           N  
-ATOM   2977  CA  VAL B  51      26.775 132.263  16.660  1.00 14.98           C  
-ATOM   2978  C   VAL B  51      26.384 131.385  17.857  1.00 14.62           C  
-ATOM   2979  O   VAL B  51      25.355 131.617  18.497  1.00 15.03           O  
-ATOM   2980  CB  VAL B  51      26.500 131.525  15.319  1.00 15.12           C  
-ATOM   2981  CG1 VAL B  51      25.116 130.892  15.320  1.00 14.84           C  
-ATOM   2982  CG2 VAL B  51      26.617 132.510  14.152  1.00 15.87           C  
-ATOM   2983  N   GLU B  52      27.209 130.398  18.186  1.00 14.27           N  
-ATOM   2984  CA  GLU B  52      26.889 129.522  19.308  1.00 14.37           C  
-ATOM   2985  C   GLU B  52      26.777 130.292  20.625  1.00 15.65           C  
-ATOM   2986  O   GLU B  52      25.903 130.009  21.448  1.00 14.95           O  
-ATOM   2987  CB  GLU B  52      27.914 128.399  19.424  1.00 14.75           C  
-ATOM   2988  CG  GLU B  52      27.890 127.414  18.256  1.00 14.45           C  
-ATOM   2989  CD  GLU B  52      28.842 126.254  18.450  1.00 17.04           C  
-ATOM   2990  OE1 GLU B  52      29.409 126.119  19.550  1.00 19.00           O  
-ATOM   2991  OE2 GLU B  52      29.028 125.458  17.512  1.00 16.95           O  
-ATOM   2992  N   GLU B  53      27.634 131.291  20.801  1.00 16.24           N  
-ATOM   2993  CA  GLU B  53      27.621 132.110  22.012  1.00 20.04           C  
-ATOM   2994  C   GLU B  53      26.261 132.811  22.157  1.00 19.10           C  
-ATOM   2995  O   GLU B  53      25.645 132.793  23.228  1.00 18.45           O  
-ATOM   2996  CB  GLU B  53      28.755 133.144  21.956  1.00 25.26           C  
-ATOM   2997  CG  GLU B  53      28.897 133.983  23.213  1.00 35.03           C  
-ATOM   2998  CD  GLU B  53      29.099 133.124  24.451  1.00 41.96           C  
-ATOM   2999  OE1 GLU B  53      29.971 132.225  24.419  1.00 46.83           O  
-ATOM   3000  OE2 GLU B  53      28.378 133.332  25.454  1.00 45.74           O  
-ATOM   3001  N   LYS B  54      25.790 133.411  21.071  1.00 17.87           N  
-ATOM   3002  CA  LYS B  54      24.502 134.095  21.069  1.00 18.29           C  
-ATOM   3003  C   LYS B  54      23.340 133.117  21.300  1.00 17.08           C  
-ATOM   3004  O   LYS B  54      22.441 133.390  22.098  1.00 16.88           O  
-ATOM   3005  CB  LYS B  54      24.301 134.841  19.742  1.00 20.50           C  
-ATOM   3006  CG  LYS B  54      22.984 135.599  19.641  1.00 24.39           C  
-ATOM   3007  CD  LYS B  54      22.786 136.482  20.870  1.00 28.89           C  
-ATOM   3008  CE  LYS B  54      21.508 137.284  20.783  1.00 31.32           C  
-ATOM   3009  NZ  LYS B  54      21.320 138.037  22.052  1.00 36.41           N  
-ATOM   3010  N   ILE B  55      23.375 131.976  20.616  1.00 15.16           N  
-ATOM   3011  CA  ILE B  55      22.325 130.969  20.739  1.00 14.29           C  
-ATOM   3012  C   ILE B  55      22.229 130.438  22.173  1.00 14.63           C  
-ATOM   3013  O   ILE B  55      21.126 130.203  22.672  1.00 13.85           O  
-ATOM   3014  CB  ILE B  55      22.538 129.786  19.740  1.00 14.41           C  
-ATOM   3015  CG1 ILE B  55      22.491 130.295  18.292  1.00 16.61           C  
-ATOM   3016  CG2 ILE B  55      21.471 128.707  19.920  1.00 11.53           C  
-ATOM   3017  CD1 ILE B  55      21.253 131.039  17.954  1.00 16.42           C  
-ATOM   3018  N   GLN B  56      23.368 130.226  22.830  1.00 14.43           N  
-ATOM   3019  CA  GLN B  56      23.342 129.734  24.210  1.00 16.21           C  
-ATOM   3020  C   GLN B  56      22.600 130.731  25.111  1.00 17.04           C  
-ATOM   3021  O   GLN B  56      21.796 130.331  25.959  1.00 17.49           O  
-ATOM   3022  CB  GLN B  56      24.752 129.491  24.746  1.00 16.36           C  
-ATOM   3023  CG  GLN B  56      24.763 128.979  26.175  1.00 18.72           C  
-ATOM   3024  CD  GLN B  56      23.961 127.701  26.341  1.00 20.33           C  
-ATOM   3025  OE1 GLN B  56      22.833 127.707  26.849  1.00 22.99           O  
-ATOM   3026  NE2 GLN B  56      24.540 126.596  25.913  1.00 21.94           N  
-ATOM   3027  N   GLU B  57      22.857 132.022  24.913  1.00 16.20           N  
-ATOM   3028  CA  GLU B  57      22.184 133.050  25.688  1.00 17.14           C  
-ATOM   3029  C   GLU B  57      20.685 132.960  25.470  1.00 16.13           C  
-ATOM   3030  O   GLU B  57      19.900 133.107  26.407  1.00 14.39           O  
-ATOM   3031  CB  GLU B  57      22.645 134.437  25.269  1.00 22.35           C  
-ATOM   3032  CG  GLU B  57      24.072 134.762  25.636  1.00 31.79           C  
-ATOM   3033  CD  GLU B  57      24.538 136.076  25.019  1.00 38.39           C  
-ATOM   3034  OE1 GLU B  57      23.679 136.858  24.521  1.00 41.76           O  
-ATOM   3035  OE2 GLU B  57      25.772 136.314  25.024  1.00 41.42           O  
-ATOM   3036  N   VAL B  58      20.281 132.781  24.217  1.00 14.41           N  
-ATOM   3037  CA  VAL B  58      18.865 132.664  23.907  1.00 14.61           C  
-ATOM   3038  C   VAL B  58      18.270 131.422  24.597  1.00 13.78           C  
-ATOM   3039  O   VAL B  58      17.266 131.520  25.291  1.00 13.44           O  
-ATOM   3040  CB  VAL B  58      18.631 132.600  22.378  1.00 15.12           C  
-ATOM   3041  CG1 VAL B  58      17.149 132.334  22.082  1.00 13.37           C  
-ATOM   3042  CG2 VAL B  58      19.106 133.906  21.715  1.00 12.93           C  
-ATOM   3043  N   PHE B  59      18.915 130.267  24.444  1.00 14.93           N  
-ATOM   3044  CA  PHE B  59      18.438 129.026  25.063  1.00 14.44           C  
-ATOM   3045  C   PHE B  59      18.243 129.226  26.568  1.00 15.94           C  
-ATOM   3046  O   PHE B  59      17.204 128.860  27.132  1.00 15.52           O  
-ATOM   3047  CB  PHE B  59      19.446 127.872  24.854  1.00 14.57           C  
-ATOM   3048  CG  PHE B  59      19.453 127.281  23.452  1.00 14.44           C  
-ATOM   3049  CD1 PHE B  59      20.537 126.518  23.026  1.00 14.96           C  
-ATOM   3050  CD2 PHE B  59      18.371 127.451  22.586  1.00 13.57           C  
-ATOM   3051  CE1 PHE B  59      20.549 125.925  21.754  1.00 14.55           C  
-ATOM   3052  CE2 PHE B  59      18.366 126.864  21.311  1.00 15.10           C  
-ATOM   3053  CZ  PHE B  59      19.457 126.099  20.894  1.00 14.54           C  
-ATOM   3054  N   SER B  60      19.248 129.806  27.216  1.00 15.09           N  
-ATOM   3055  CA  SER B  60      19.197 130.030  28.662  1.00 16.74           C  
-ATOM   3056  C   SER B  60      18.029 130.902  29.123  1.00 16.56           C  
-ATOM   3057  O   SER B  60      17.497 130.714  30.231  1.00 15.88           O  
-ATOM   3058  CB  SER B  60      20.521 130.621  29.146  1.00 17.02           C  
-ATOM   3059  OG  SER B  60      21.555 129.654  29.035  1.00 20.67           O  
-ATOM   3060  N   SER B  61      17.592 131.818  28.266  1.00 15.33           N  
-ATOM   3061  CA  SER B  61      16.496 132.704  28.628  1.00 15.10           C  
-ATOM   3062  C   SER B  61      15.144 131.995  28.698  1.00 15.27           C  
-ATOM   3063  O   SER B  61      14.174 132.563  29.198  1.00 16.22           O  
-ATOM   3064  CB  SER B  61      16.439 133.908  27.683  1.00 14.76           C  
-ATOM   3065  OG  SER B  61      15.984 133.542  26.395  1.00 14.68           O  
-ATOM   3066  N   TYR B  62      15.070 130.762  28.194  1.00 14.51           N  
-ATOM   3067  CA  TYR B  62      13.826 129.991  28.229  1.00 13.99           C  
-ATOM   3068  C   TYR B  62      13.799 128.981  29.374  1.00 14.68           C  
-ATOM   3069  O   TYR B  62      12.826 128.238  29.525  1.00 14.56           O  
-ATOM   3070  CB  TYR B  62      13.612 129.244  26.904  1.00 14.03           C  
-ATOM   3071  CG  TYR B  62      13.214 130.162  25.794  1.00 12.57           C  
-ATOM   3072  CD1 TYR B  62      14.175 130.860  25.069  1.00 13.45           C  
-ATOM   3073  CD2 TYR B  62      11.876 130.397  25.517  1.00 13.08           C  
-ATOM   3074  CE1 TYR B  62      13.816 131.781  24.095  1.00 13.16           C  
-ATOM   3075  CE2 TYR B  62      11.504 131.315  24.546  1.00 15.06           C  
-ATOM   3076  CZ  TYR B  62      12.484 132.002  23.842  1.00 14.80           C  
-ATOM   3077  OH  TYR B  62      12.124 132.914  22.886  1.00 17.42           O  
-ATOM   3078  N   LYS B  63      14.852 128.975  30.186  1.00 14.46           N  
-ATOM   3079  CA  LYS B  63      14.964 128.033  31.301  1.00 16.74           C  
-ATOM   3080  C   LYS B  63      15.010 128.786  32.623  1.00 15.97           C  
-ATOM   3081  O   LYS B  63      15.712 129.787  32.736  1.00 14.45           O  
-ATOM   3082  CB  LYS B  63      16.247 127.203  31.141  1.00 16.02           C  
-ATOM   3083  CG  LYS B  63      16.458 126.142  32.196  1.00 17.95           C  
-ATOM   3084  CD  LYS B  63      17.805 125.485  31.984  1.00 20.29           C  
-ATOM   3085  CE  LYS B  63      18.281 124.776  33.235  1.00 22.02           C  
-ATOM   3086  NZ  LYS B  63      17.347 123.680  33.623  1.00 25.72           N  
-ATOM   3087  N   PHE B  64      14.257 128.304  33.608  1.00 15.97           N  
-ATOM   3088  CA  PHE B  64      14.214 128.912  34.940  1.00 15.56           C  
-ATOM   3089  C   PHE B  64      14.437 127.748  35.885  1.00 14.97           C  
-ATOM   3090  O   PHE B  64      13.503 127.264  36.534  1.00 14.77           O  
-ATOM   3091  CB  PHE B  64      12.851 129.567  35.146  1.00 17.11           C  
-ATOM   3092  CG  PHE B  64      12.507 130.541  34.057  1.00 20.03           C  
-ATOM   3093  CD1 PHE B  64      11.814 130.122  32.928  1.00 20.22           C  
-ATOM   3094  CD2 PHE B  64      12.974 131.849  34.111  1.00 21.43           C  
-ATOM   3095  CE1 PHE B  64      11.598 130.992  31.860  1.00 22.81           C  
-ATOM   3096  CE2 PHE B  64      12.763 132.734  33.048  1.00 22.13           C  
-ATOM   3097  CZ  PHE B  64      12.075 132.301  31.918  1.00 22.15           C  
-ATOM   3098  N   ASN B  65      15.684 127.285  35.921  1.00 14.70           N  
-ATOM   3099  CA  ASN B  65      16.073 126.125  36.713  1.00 16.36           C  
-ATOM   3100  C   ASN B  65      15.203 124.954  36.251  1.00 16.68           C  
-ATOM   3101  O   ASN B  65      15.168 124.669  35.054  1.00 17.88           O  
-ATOM   3102  CB  ASN B  65      15.987 126.398  38.228  1.00 15.01           C  
-ATOM   3103  CG  ASN B  65      17.132 127.278  38.714  1.00 16.72           C  
-ATOM   3104  OD1 ASN B  65      18.285 127.035  38.376  1.00 18.58           O  
-ATOM   3105  ND2 ASN B  65      16.819 128.330  39.450  1.00 15.56           N  
-ATOM   3106  N   HIS B  66      14.426 124.341  37.137  1.00 15.57           N  
-ATOM   3107  CA  HIS B  66      13.620 123.193  36.735  1.00 15.18           C  
-ATOM   3108  C   HIS B  66      12.297 123.590  36.067  1.00 16.05           C  
-ATOM   3109  O   HIS B  66      11.530 122.726  35.625  1.00 17.33           O  
-ATOM   3110  CB  HIS B  66      13.388 122.287  37.949  1.00 16.64           C  
-ATOM   3111  CG  HIS B  66      12.894 120.916  37.607  1.00 18.43           C  
-ATOM   3112  ND1 HIS B  66      13.567 120.073  36.748  1.00 21.80           N  
-ATOM   3113  CD2 HIS B  66      11.798 120.235  38.018  1.00 20.01           C  
-ATOM   3114  CE1 HIS B  66      12.906 118.932  36.644  1.00 21.07           C  
-ATOM   3115  NE2 HIS B  66      11.829 119.006  37.404  1.00 21.43           N  
-ATOM   3116  N   LEU B  67      11.996 124.886  36.029  1.00 15.28           N  
-ATOM   3117  CA  LEU B  67      10.768 125.349  35.381  1.00 15.23           C  
-ATOM   3118  C   LEU B  67      11.115 125.672  33.925  1.00 14.93           C  
-ATOM   3119  O   LEU B  67      11.972 126.513  33.667  1.00 14.88           O  
-ATOM   3120  CB  LEU B  67      10.215 126.607  36.072  1.00 12.61           C  
-ATOM   3121  CG  LEU B  67       9.003 127.259  35.403  1.00 13.55           C  
-ATOM   3122  CD1 LEU B  67       7.838 126.281  35.318  1.00 13.54           C  
-ATOM   3123  CD2 LEU B  67       8.603 128.514  36.155  1.00 13.82           C  
-ATOM   3124  N   VAL B  68      10.483 124.976  32.982  1.00 16.15           N  
-ATOM   3125  CA  VAL B  68      10.733 125.223  31.556  1.00 14.70           C  
-ATOM   3126  C   VAL B  68       9.368 125.393  30.879  1.00 13.92           C  
-ATOM   3127  O   VAL B  68       8.761 124.431  30.389  1.00 15.25           O  
-ATOM   3128  CB  VAL B  68      11.543 124.067  30.913  1.00 15.19           C  
-ATOM   3129  CG1 VAL B  68      12.050 124.477  29.522  1.00 15.29           C  
-ATOM   3130  CG2 VAL B  68      12.731 123.667  31.824  1.00 15.34           C  
-ATOM   3131  N   PRO B  69       8.851 126.625  30.873  1.00 13.58           N  
-ATOM   3132  CA  PRO B  69       7.545 126.924  30.268  1.00 14.50           C  
-ATOM   3133  C   PRO B  69       7.453 126.483  28.797  1.00 14.76           C  
-ATOM   3134  O   PRO B  69       8.456 126.508  28.065  1.00 14.53           O  
-ATOM   3135  CB  PRO B  69       7.441 128.446  30.408  1.00 14.20           C  
-ATOM   3136  CG  PRO B  69       8.319 128.756  31.601  1.00 13.85           C  
-ATOM   3137  CD  PRO B  69       9.499 127.849  31.377  1.00 14.31           C  
-ATOM   3138  N   ARG B  70       6.270 126.036  28.384  1.00 14.19           N  
-ATOM   3139  CA  ARG B  70       6.059 125.589  27.006  1.00 14.58           C  
-ATOM   3140  C   ARG B  70       6.362 126.694  25.995  1.00 14.92           C  
-ATOM   3141  O   ARG B  70       6.076 127.870  26.248  1.00 14.58           O  
-ATOM   3142  CB  ARG B  70       4.625 125.091  26.825  1.00 14.87           C  
-ATOM   3143  CG  ARG B  70       4.400 123.742  27.449  1.00 16.76           C  
-ATOM   3144  CD  ARG B  70       3.056 123.164  27.087  1.00 19.25           C  
-ATOM   3145  NE  ARG B  70       2.912 121.839  27.677  1.00 19.44           N  
-ATOM   3146  CZ  ARG B  70       2.781 120.706  26.996  1.00 20.87           C  
-ATOM   3147  NH1 ARG B  70       2.769 120.708  25.668  1.00 20.99           N  
-ATOM   3148  NH2 ARG B  70       2.675 119.558  27.654  1.00 21.71           N  
-ATOM   3149  N   LEU B  71       6.974 126.321  24.874  1.00 13.81           N  
-ATOM   3150  CA  LEU B  71       7.311 127.281  23.819  1.00 13.42           C  
-ATOM   3151  C   LEU B  71       6.033 127.690  23.098  1.00 12.55           C  
-ATOM   3152  O   LEU B  71       5.108 126.878  22.955  1.00 12.45           O  
-ATOM   3153  CB  LEU B  71       8.296 126.658  22.822  1.00 11.40           C  
-ATOM   3154  CG  LEU B  71       9.640 126.261  23.425  1.00 11.78           C  
-ATOM   3155  CD1 LEU B  71      10.583 125.732  22.341  1.00 11.42           C  
-ATOM   3156  CD2 LEU B  71      10.254 127.467  24.123  1.00 11.47           C  
-ATOM   3157  N   VAL B  72       6.002 128.927  22.616  1.00 11.85           N  
-ATOM   3158  CA  VAL B  72       4.836 129.471  21.929  1.00 11.98           C  
-ATOM   3159  C   VAL B  72       5.157 130.112  20.573  1.00 13.67           C  
-ATOM   3160  O   VAL B  72       6.031 130.985  20.468  1.00 12.19           O  
-ATOM   3161  CB  VAL B  72       4.133 130.567  22.806  1.00 12.81           C  
-ATOM   3162  CG1 VAL B  72       3.007 131.250  22.042  1.00 11.89           C  
-ATOM   3163  CG2 VAL B  72       3.603 129.963  24.117  1.00 13.27           C  
-ATOM   3164  N   LEU B  73       4.442 129.665  19.542  1.00 13.26           N  
-ATOM   3165  CA  LEU B  73       4.563 130.235  18.200  1.00 12.26           C  
-ATOM   3166  C   LEU B  73       3.650 131.481  18.261  1.00 11.62           C  
-ATOM   3167  O   LEU B  73       2.459 131.361  18.559  1.00 11.44           O  
-ATOM   3168  CB  LEU B  73       4.035 129.245  17.154  1.00 10.30           C  
-ATOM   3169  CG  LEU B  73       3.993 129.780  15.713  1.00 10.58           C  
-ATOM   3170  CD1 LEU B  73       5.397 129.994  15.169  1.00  8.70           C  
-ATOM   3171  CD2 LEU B  73       3.208 128.816  14.844  1.00 11.66           C  
-ATOM   3172  N   GLN B  74       4.208 132.667  18.033  1.00 11.41           N  
-ATOM   3173  CA  GLN B  74       3.429 133.906  18.099  1.00 14.65           C  
-ATOM   3174  C   GLN B  74       2.556 134.140  16.864  1.00 14.25           C  
-ATOM   3175  O   GLN B  74       2.729 135.127  16.141  1.00 13.60           O  
-ATOM   3176  CB  GLN B  74       4.361 135.098  18.336  1.00 15.50           C  
-ATOM   3177  CG  GLN B  74       5.181 134.988  19.633  1.00 19.74           C  
-ATOM   3178  CD  GLN B  74       4.310 134.950  20.895  1.00 23.96           C  
-ATOM   3179  OE1 GLN B  74       3.165 135.409  20.904  1.00 27.40           O  
-ATOM   3180  NE2 GLN B  74       4.854 134.399  21.959  1.00 25.83           N  
-ATOM   3181  N   ARG B  75       1.596 133.243  16.669  1.00 14.58           N  
-ATOM   3182  CA  ARG B  75       0.677 133.270  15.529  1.00 16.21           C  
-ATOM   3183  C   ARG B  75       0.083 134.603  15.171  1.00 16.30           C  
-ATOM   3184  O   ARG B  75       0.143 135.007  14.012  1.00 14.32           O  
-ATOM   3185  CB  ARG B  75      -0.504 132.353  15.766  1.00 17.28           C  
-ATOM   3186  CG  ARG B  75      -0.151 130.957  15.955  1.00 22.83           C  
-ATOM   3187  CD  ARG B  75      -1.391 130.198  16.335  1.00 24.10           C  
-ATOM   3188  NE  ARG B  75      -1.199 128.828  15.935  1.00 24.22           N  
-ATOM   3189  CZ  ARG B  75      -1.455 128.377  14.719  1.00 21.12           C  
-ATOM   3190  NH1 ARG B  75      -1.945 129.197  13.800  1.00 22.21           N  
-ATOM   3191  NH2 ARG B  75      -1.095 127.150  14.400  1.00 19.79           N  
-ATOM   3192  N   GLU B  76      -0.567 135.238  16.144  1.00 17.20           N  
-ATOM   3193  CA  GLU B  76      -1.220 136.522  15.902  1.00 18.96           C  
-ATOM   3194  C   GLU B  76      -0.286 137.622  15.425  1.00 17.78           C  
-ATOM   3195  O   GLU B  76      -0.644 138.410  14.536  1.00 18.12           O  
-ATOM   3196  CB  GLU B  76      -2.042 136.962  17.116  1.00 22.52           C  
-ATOM   3197  CG  GLU B  76      -3.374 136.228  17.204  1.00 34.93           C  
-ATOM   3198  CD  GLU B  76      -4.188 136.321  15.895  1.00 41.97           C  
-ATOM   3199  OE1 GLU B  76      -4.317 135.283  15.183  1.00 43.50           O  
-ATOM   3200  OE2 GLU B  76      -4.685 137.441  15.577  1.00 45.31           O  
-ATOM   3201  N   LYS B  77       0.914 137.681  15.990  1.00 17.87           N  
-ATOM   3202  CA  LYS B  77       1.883 138.686  15.557  1.00 17.96           C  
-ATOM   3203  C   LYS B  77       2.340 138.350  14.120  1.00 16.82           C  
-ATOM   3204  O   LYS B  77       2.451 139.246  13.267  1.00 15.51           O  
-ATOM   3205  CB  LYS B  77       3.086 138.717  16.495  1.00 22.46           C  
-ATOM   3206  CG  LYS B  77       2.809 139.194  17.920  1.00 26.93           C  
-ATOM   3207  CD  LYS B  77       4.063 138.891  18.733  1.00 35.93           C  
-ATOM   3208  CE  LYS B  77       3.959 139.189  20.224  1.00 40.29           C  
-ATOM   3209  NZ  LYS B  77       5.292 138.872  20.849  1.00 40.40           N  
-ATOM   3210  N   HIS B  78       2.599 137.069  13.843  1.00 13.93           N  
-ATOM   3211  CA  HIS B  78       3.017 136.692  12.489  1.00 14.18           C  
-ATOM   3212  C   HIS B  78       1.890 137.006  11.517  1.00 14.66           C  
-ATOM   3213  O   HIS B  78       2.132 137.577  10.457  1.00 14.74           O  
-ATOM   3214  CB  HIS B  78       3.386 135.211  12.404  1.00 13.16           C  
-ATOM   3215  CG  HIS B  78       4.487 134.814  13.340  1.00 11.08           C  
-ATOM   3216  ND1 HIS B  78       5.570 135.622  13.604  1.00 11.69           N  
-ATOM   3217  CD2 HIS B  78       4.657 133.700  14.087  1.00 11.36           C  
-ATOM   3218  CE1 HIS B  78       6.363 135.023  14.475  1.00 11.91           C  
-ATOM   3219  NE2 HIS B  78       5.833 133.853  14.781  1.00 11.23           N  
-ATOM   3220  N   PHE B  79       0.656 136.674  11.897  1.00 15.12           N  
-ATOM   3221  CA  PHE B  79      -0.508 136.933  11.047  1.00 16.15           C  
-ATOM   3222  C   PHE B  79      -0.635 138.428  10.691  1.00 16.10           C  
-ATOM   3223  O   PHE B  79      -0.830 138.777   9.522  1.00 16.12           O  
-ATOM   3224  CB  PHE B  79      -1.797 136.415  11.717  1.00 16.94           C  
-ATOM   3225  CG  PHE B  79      -3.065 136.916  11.070  1.00 20.03           C  
-ATOM   3226  CD1 PHE B  79      -3.392 136.551   9.763  1.00 20.64           C  
-ATOM   3227  CD2 PHE B  79      -3.912 137.789  11.751  1.00 21.04           C  
-ATOM   3228  CE1 PHE B  79      -4.541 137.051   9.140  1.00 19.66           C  
-ATOM   3229  CE2 PHE B  79      -5.063 138.295  11.134  1.00 20.73           C  
-ATOM   3230  CZ  PHE B  79      -5.371 137.924   9.828  1.00 20.86           C  
-ATOM   3231  N   HIS B  80      -0.488 139.309  11.675  1.00 16.26           N  
-ATOM   3232  CA  HIS B  80      -0.606 140.734  11.391  1.00 17.30           C  
-ATOM   3233  C   HIS B  80       0.485 141.269  10.478  1.00 16.32           C  
-ATOM   3234  O   HIS B  80       0.222 142.121   9.619  1.00 14.04           O  
-ATOM   3235  CB  HIS B  80      -0.721 141.542  12.680  1.00 22.44           C  
-ATOM   3236  CG  HIS B  80      -2.043 141.360  13.359  1.00 28.73           C  
-ATOM   3237  ND1 HIS B  80      -3.238 141.691  12.751  1.00 30.51           N  
-ATOM   3238  CD2 HIS B  80      -2.371 140.782  14.540  1.00 30.37           C  
-ATOM   3239  CE1 HIS B  80      -4.244 141.314  13.522  1.00 32.05           C  
-ATOM   3240  NE2 HIS B  80      -3.744 140.759  14.613  1.00 32.04           N  
-ATOM   3241  N   TYR B  81       1.694 140.735  10.629  1.00 13.83           N  
-ATOM   3242  CA  TYR B  81       2.822 141.133   9.793  1.00 13.35           C  
-ATOM   3243  C   TYR B  81       2.562 140.684   8.338  1.00 12.64           C  
-ATOM   3244  O   TYR B  81       2.747 141.455   7.386  1.00 13.57           O  
-ATOM   3245  CB  TYR B  81       4.101 140.500  10.360  1.00 12.31           C  
-ATOM   3246  CG  TYR B  81       5.304 140.492   9.443  1.00 15.19           C  
-ATOM   3247  CD1 TYR B  81       5.912 141.685   9.029  1.00 14.06           C  
-ATOM   3248  CD2 TYR B  81       5.879 139.280   9.037  1.00 13.59           C  
-ATOM   3249  CE1 TYR B  81       7.069 141.665   8.241  1.00 14.17           C  
-ATOM   3250  CE2 TYR B  81       7.021 139.250   8.258  1.00 12.15           C  
-ATOM   3251  CZ  TYR B  81       7.617 140.440   7.866  1.00 14.46           C  
-ATOM   3252  OH  TYR B  81       8.777 140.390   7.132  1.00 14.93           O  
-ATOM   3253  N   LEU B  82       2.087 139.451   8.182  1.00 12.57           N  
-ATOM   3254  CA  LEU B  82       1.792 138.881   6.871  1.00 12.15           C  
-ATOM   3255  C   LEU B  82       0.637 139.604   6.165  1.00 15.17           C  
-ATOM   3256  O   LEU B  82       0.733 139.957   4.980  1.00 14.80           O  
-ATOM   3257  CB  LEU B  82       1.466 137.391   7.026  1.00 12.36           C  
-ATOM   3258  CG  LEU B  82       2.633 136.496   7.456  1.00 11.34           C  
-ATOM   3259  CD1 LEU B  82       2.110 135.168   7.992  1.00 10.24           C  
-ATOM   3260  CD2 LEU B  82       3.587 136.281   6.246  1.00 12.48           C  
-ATOM   3261  N   LYS B  83      -0.447 139.836   6.903  1.00 15.42           N  
-ATOM   3262  CA  LYS B  83      -1.635 140.510   6.379  1.00 17.34           C  
-ATOM   3263  C   LYS B  83      -1.282 141.897   5.810  1.00 17.32           C  
-ATOM   3264  O   LYS B  83      -1.755 142.284   4.735  1.00 17.12           O  
-ATOM   3265  CB  LYS B  83      -2.690 140.627   7.490  1.00 18.95           C  
-ATOM   3266  CG  LYS B  83      -3.998 141.278   7.061  1.00 24.59           C  
-ATOM   3267  CD  LYS B  83      -4.971 141.452   8.232  1.00 25.08           C  
-ATOM   3268  CE  LYS B  83      -6.106 142.410   7.848  1.00 28.43           C  
-ATOM   3269  NZ  LYS B  83      -7.128 142.550   8.934  1.00 31.10           N  
-ATOM   3270  N   ARG B  84      -0.431 142.622   6.526  1.00 18.26           N  
-ATOM   3271  CA  ARG B  84       0.014 143.945   6.115  1.00 20.92           C  
-ATOM   3272  C   ARG B  84       0.894 143.848   4.847  1.00 20.70           C  
-ATOM   3273  O   ARG B  84       0.672 144.581   3.867  1.00 19.80           O  
-ATOM   3274  CB  ARG B  84       0.764 144.611   7.282  1.00 24.99           C  
-ATOM   3275  CG  ARG B  84       1.483 145.914   6.956  1.00 34.78           C  
-ATOM   3276  CD  ARG B  84       0.532 147.018   6.495  1.00 42.00           C  
-ATOM   3277  NE  ARG B  84       1.255 148.242   6.143  1.00 48.69           N  
-ATOM   3278  CZ  ARG B  84       0.846 149.137   5.242  1.00 52.29           C  
-ATOM   3279  NH1 ARG B  84      -0.292 148.967   4.577  1.00 53.48           N  
-ATOM   3280  NH2 ARG B  84       1.586 150.213   5.001  1.00 54.66           N  
-ATOM   3281  N   GLY B  85       1.828 142.898   4.837  1.00 17.93           N  
-ATOM   3282  CA  GLY B  85       2.705 142.731   3.687  1.00 17.26           C  
-ATOM   3283  C   GLY B  85       2.007 142.353   2.386  1.00 17.06           C  
-ATOM   3284  O   GLY B  85       2.466 142.705   1.289  1.00 15.66           O  
-ATOM   3285  N   LEU B  86       0.892 141.637   2.495  1.00 16.03           N  
-ATOM   3286  CA  LEU B  86       0.160 141.213   1.312  1.00 16.10           C  
-ATOM   3287  C   LEU B  86      -0.406 142.404   0.521  1.00 17.11           C  
-ATOM   3288  O   LEU B  86      -0.647 142.286  -0.682  1.00 16.64           O  
-ATOM   3289  CB  LEU B  86      -0.932 140.195   1.682  1.00 15.01           C  
-ATOM   3290  CG  LEU B  86      -1.600 139.398   0.543  1.00 16.06           C  
-ATOM   3291  CD1 LEU B  86      -0.569 138.654  -0.312  1.00 15.36           C  
-ATOM   3292  CD2 LEU B  86      -2.610 138.423   1.119  1.00 15.67           C  
-ATOM   3293  N   ARG B  87      -0.606 143.554   1.163  1.00 17.16           N  
-ATOM   3294  CA  ARG B  87      -1.114 144.711   0.419  1.00 20.20           C  
-ATOM   3295  C   ARG B  87      -0.034 145.721   0.082  1.00 20.45           C  
-ATOM   3296  O   ARG B  87       0.092 146.151  -1.056  1.00 20.63           O  
-ATOM   3297  CB  ARG B  87      -2.207 145.492   1.167  1.00 23.31           C  
-ATOM   3298  CG  ARG B  87      -3.458 144.750   1.588  1.00 29.62           C  
-ATOM   3299  CD  ARG B  87      -4.053 143.779   0.555  1.00 34.56           C  
-ATOM   3300  NE  ARG B  87      -4.464 144.361  -0.722  1.00 34.42           N  
-ATOM   3301  CZ  ARG B  87      -5.651 144.163  -1.299  1.00 32.43           C  
-ATOM   3302  NH1 ARG B  87      -6.594 143.431  -0.716  1.00 29.37           N  
-ATOM   3303  NH2 ARG B  87      -5.828 144.548  -2.550  1.00 30.06           N  
-ATOM   3304  N   GLN B  88       0.790 146.057   1.056  1.00 22.66           N  
-ATOM   3305  CA  GLN B  88       1.769 147.097   0.827  1.00 25.53           C  
-ATOM   3306  C   GLN B  88       3.126 146.847   1.449  1.00 25.06           C  
-ATOM   3307  O   GLN B  88       3.228 146.214   2.500  1.00 25.63           O  
-ATOM   3308  CB  GLN B  88       1.186 148.379   1.377  1.00 28.37           C  
-ATOM   3309  CG  GLN B  88       1.723 149.598   0.752  1.00 38.01           C  
-ATOM   3310  CD  GLN B  88       0.819 150.772   1.005  1.00 42.21           C  
-ATOM   3311  OE1 GLN B  88       0.933 151.448   2.029  1.00 46.03           O  
-ATOM   3312  NE2 GLN B  88      -0.115 151.004   0.090  1.00 43.48           N  
-ATOM   3313  N   LEU B  89       4.164 147.392   0.823  1.00 23.66           N  
-ATOM   3314  CA  LEU B  89       5.526 147.216   1.294  1.00 22.92           C  
-ATOM   3315  C   LEU B  89       6.289 148.528   1.187  1.00 23.32           C  
-ATOM   3316  O   LEU B  89       5.982 149.360   0.329  1.00 23.14           O  
-ATOM   3317  CB  LEU B  89       6.220 146.147   0.452  1.00 22.11           C  
-ATOM   3318  CG  LEU B  89       5.532 144.787   0.403  1.00 22.76           C  
-ATOM   3319  CD1 LEU B  89       6.095 143.964  -0.737  1.00 21.28           C  
-ATOM   3320  CD2 LEU B  89       5.720 144.077   1.742  1.00 24.02           C  
-ATOM   3321  N   THR B  90       7.275 148.718   2.064  1.00 24.66           N  
-ATOM   3322  CA  THR B  90       8.083 149.939   2.048  1.00 27.61           C  
-ATOM   3323  C   THR B  90       9.090 149.859   0.905  1.00 29.12           C  
-ATOM   3324  O   THR B  90       9.299 148.778   0.337  1.00 28.91           O  
-ATOM   3325  CB  THR B  90       8.858 150.131   3.371  1.00 27.92           C  
-ATOM   3326  OG1 THR B  90       9.692 148.989   3.618  1.00 29.48           O  
-ATOM   3327  CG2 THR B  90       7.889 150.304   4.531  1.00 28.82           C  
-ATOM   3328  N   ASP B  91       9.747 150.975   0.590  1.00 29.72           N  
-ATOM   3329  CA  ASP B  91      10.730 150.973  -0.484  1.00 28.85           C  
-ATOM   3330  C   ASP B  91      11.933 150.095  -0.166  1.00 28.30           C  
-ATOM   3331  O   ASP B  91      12.842 149.963  -0.978  1.00 30.05           O  
-ATOM   3332  CB  ASP B  91      11.156 152.393  -0.879  1.00 31.27           C  
-ATOM   3333  CG  ASP B  91      11.772 153.185   0.268  1.00 33.00           C  
-ATOM   3334  OD1 ASP B  91      11.992 152.642   1.371  1.00 34.13           O  
-ATOM   3335  OD2 ASP B  91      12.043 154.384   0.047  1.00 37.25           O  
-ATOM   3336  N   ALA B  92      11.949 149.510   1.026  1.00 26.60           N  
-ATOM   3337  CA  ALA B  92      13.020 148.605   1.405  1.00 25.45           C  
-ATOM   3338  C   ALA B  92      12.852 147.354   0.552  1.00 25.43           C  
-ATOM   3339  O   ALA B  92      13.742 146.507   0.490  1.00 27.40           O  
-ATOM   3340  CB  ALA B  92      12.919 148.245   2.875  1.00 26.26           C  
-ATOM   3341  N   TYR B  93      11.681 147.216  -0.065  1.00 24.17           N  
-ATOM   3342  CA  TYR B  93      11.396 146.077  -0.921  1.00 22.07           C  
-ATOM   3343  C   TYR B  93      11.655 146.337  -2.408  1.00 21.63           C  
-ATOM   3344  O   TYR B  93      11.343 145.502  -3.254  1.00 20.20           O  
-ATOM   3345  CB  TYR B  93       9.980 145.564  -0.671  1.00 22.72           C  
-ATOM   3346  CG  TYR B  93       9.955 144.584   0.472  1.00 24.52           C  
-ATOM   3347  CD1 TYR B  93       9.823 145.013   1.804  1.00 26.64           C  
-ATOM   3348  CD2 TYR B  93      10.167 143.231   0.235  1.00 25.42           C  
-ATOM   3349  CE1 TYR B  93       9.919 144.100   2.871  1.00 25.27           C  
-ATOM   3350  CE2 TYR B  93      10.264 142.319   1.283  1.00 26.90           C  
-ATOM   3351  CZ  TYR B  93      10.145 142.752   2.598  1.00 27.53           C  
-ATOM   3352  OH  TYR B  93      10.294 141.808   3.604  1.00 27.69           O  
-ATOM   3353  N   GLU B  94      12.282 147.466  -2.729  1.00 20.70           N  
-ATOM   3354  CA  GLU B  94      12.592 147.767  -4.121  1.00 20.44           C  
-ATOM   3355  C   GLU B  94      13.543 146.707  -4.697  1.00 20.57           C  
-ATOM   3356  O   GLU B  94      13.546 146.459  -5.908  1.00 19.72           O  
-ATOM   3357  CB  GLU B  94      13.209 149.159  -4.248  1.00 21.97           C  
-ATOM   3358  CG  GLU B  94      12.210 150.287  -4.043  1.00 22.60           C  
-ATOM   3359  CD  GLU B  94      12.837 151.662  -4.164  1.00 24.87           C  
-ATOM   3360  OE1 GLU B  94      12.081 152.626  -4.368  1.00 24.95           O  
-ATOM   3361  OE2 GLU B  94      14.078 151.789  -4.061  1.00 24.77           O  
-ATOM   3362  N   CYS B  95      14.332 146.071  -3.825  1.00 19.87           N  
-ATOM   3363  CA  CYS B  95      15.273 145.023  -4.240  1.00 19.25           C  
-ATOM   3364  C   CYS B  95      14.560 143.738  -4.666  1.00 17.23           C  
-ATOM   3365  O   CYS B  95      15.176 142.845  -5.249  1.00 17.33           O  
-ATOM   3366  CB  CYS B  95      16.269 144.715  -3.120  1.00 20.60           C  
-ATOM   3367  SG  CYS B  95      15.479 144.143  -1.591  1.00 26.13           S  
-ATOM   3368  N   LEU B  96      13.267 143.648  -4.364  1.00 15.96           N  
-ATOM   3369  CA  LEU B  96      12.453 142.490  -4.730  1.00 15.48           C  
-ATOM   3370  C   LEU B  96      11.382 142.869  -5.754  1.00 14.52           C  
-ATOM   3371  O   LEU B  96      10.412 142.139  -5.963  1.00 14.52           O  
-ATOM   3372  CB  LEU B  96      11.819 141.852  -3.481  1.00 17.03           C  
-ATOM   3373  CG  LEU B  96      12.774 141.024  -2.606  1.00 20.08           C  
-ATOM   3374  CD1 LEU B  96      12.069 140.531  -1.349  1.00 23.76           C  
-ATOM   3375  CD2 LEU B  96      13.290 139.832  -3.387  1.00 20.79           C  
-ATOM   3376  N   ASP B  97      11.605 143.982  -6.450  1.00 14.66           N  
-ATOM   3377  CA  ASP B  97      10.672 144.455  -7.472  1.00 14.38           C  
-ATOM   3378  C   ASP B  97      10.582 143.488  -8.676  1.00 13.01           C  
-ATOM   3379  O   ASP B  97       9.635 143.559  -9.468  1.00 13.67           O  
-ATOM   3380  CB  ASP B  97      11.063 145.870  -7.929  1.00 12.43           C  
-ATOM   3381  CG  ASP B  97      10.033 146.491  -8.845  1.00 16.24           C  
-ATOM   3382  OD1 ASP B  97       8.827 146.450  -8.508  1.00 15.68           O  
-ATOM   3383  OD2 ASP B  97      10.425 147.008  -9.914  1.00 16.22           O  
-ATOM   3384  N   ALA B  98      11.582 142.614  -8.818  1.00 13.21           N  
-ATOM   3385  CA  ALA B  98      11.609 141.625  -9.889  1.00 11.46           C  
-ATOM   3386  C   ALA B  98      11.267 140.235  -9.322  1.00 12.94           C  
-ATOM   3387  O   ALA B  98      11.533 139.211  -9.953  1.00 12.54           O  
-ATOM   3388  CB  ALA B  98      12.984 141.618 -10.571  1.00 11.83           C  
-ATOM   3389  N   SER B  99      10.647 140.213  -8.141  1.00 13.67           N  
-ATOM   3390  CA  SER B  99      10.249 138.965  -7.466  1.00 14.35           C  
-ATOM   3391  C   SER B  99       8.901 139.112  -6.759  1.00 14.54           C  
-ATOM   3392  O   SER B  99       8.655 138.463  -5.739  1.00 14.12           O  
-ATOM   3393  CB  SER B  99      11.294 138.557  -6.408  1.00 14.46           C  
-ATOM   3394  OG  SER B  99      12.440 137.966  -7.000  1.00 17.15           O  
-ATOM   3395  N   ARG B 100       8.010 139.937  -7.293  1.00 13.45           N  
-ATOM   3396  CA  ARG B 100       6.729 140.123  -6.627  1.00 13.53           C  
-ATOM   3397  C   ARG B 100       5.862 138.869  -6.459  1.00 13.46           C  
-ATOM   3398  O   ARG B 100       5.205 138.715  -5.420  1.00 14.23           O  
-ATOM   3399  CB  ARG B 100       6.001 141.358  -7.174  1.00 13.86           C  
-ATOM   3400  CG  ARG B 100       6.784 142.618  -6.771  1.00 13.78           C  
-ATOM   3401  CD  ARG B 100       6.236 143.882  -7.330  1.00 14.58           C  
-ATOM   3402  NE  ARG B 100       4.889 144.162  -6.854  1.00 13.40           N  
-ATOM   3403  CZ  ARG B 100       3.998 144.853  -7.554  1.00 15.38           C  
-ATOM   3404  NH1 ARG B 100       4.325 145.313  -8.758  1.00 13.38           N  
-ATOM   3405  NH2 ARG B 100       2.806 145.143  -7.032  1.00 13.47           N  
-ATOM   3406  N   PRO B 101       5.867 137.937  -7.444  1.00 12.71           N  
-ATOM   3407  CA  PRO B 101       5.039 136.741  -7.233  1.00 11.72           C  
-ATOM   3408  C   PRO B 101       5.599 135.934  -6.058  1.00 11.58           C  
-ATOM   3409  O   PRO B 101       4.874 135.161  -5.431  1.00 10.35           O  
-ATOM   3410  CB  PRO B 101       5.175 135.991  -8.556  1.00 12.02           C  
-ATOM   3411  CG  PRO B 101       5.263 137.140  -9.567  1.00 11.57           C  
-ATOM   3412  CD  PRO B 101       6.274 138.043  -8.864  1.00 12.79           C  
-ATOM   3413  N   TRP B 102       6.892 136.112  -5.769  1.00 11.55           N  
-ATOM   3414  CA  TRP B 102       7.515 135.428  -4.632  1.00 11.57           C  
-ATOM   3415  C   TRP B 102       6.917 135.979  -3.351  1.00 12.12           C  
-ATOM   3416  O   TRP B 102       6.645 135.231  -2.415  1.00 12.93           O  
-ATOM   3417  CB  TRP B 102       9.029 135.635  -4.590  1.00 10.85           C  
-ATOM   3418  CG  TRP B 102       9.778 134.676  -5.460  1.00 12.03           C  
-ATOM   3419  CD1 TRP B 102      10.428 134.967  -6.626  1.00 11.53           C  
-ATOM   3420  CD2 TRP B 102       9.943 133.260  -5.243  1.00 12.63           C  
-ATOM   3421  NE1 TRP B 102      10.989 133.823  -7.151  1.00 10.88           N  
-ATOM   3422  CE2 TRP B 102      10.709 132.760  -6.330  1.00 12.74           C  
-ATOM   3423  CE3 TRP B 102       9.519 132.369  -4.240  1.00 11.04           C  
-ATOM   3424  CZ2 TRP B 102      11.061 131.405  -6.445  1.00 11.17           C  
-ATOM   3425  CZ3 TRP B 102       9.874 131.010  -4.352  1.00 11.77           C  
-ATOM   3426  CH2 TRP B 102      10.637 130.549  -5.449  1.00 12.74           C  
-ATOM   3427  N   LEU B 103       6.750 137.293  -3.291  1.00 11.30           N  
-ATOM   3428  CA  LEU B 103       6.158 137.905  -2.109  1.00 12.05           C  
-ATOM   3429  C   LEU B 103       4.747 137.355  -1.918  1.00 11.27           C  
-ATOM   3430  O   LEU B 103       4.359 137.022  -0.800  1.00 11.00           O  
-ATOM   3431  CB  LEU B 103       6.162 139.432  -2.226  1.00 12.45           C  
-ATOM   3432  CG  LEU B 103       7.565 140.067  -2.110  1.00 15.03           C  
-ATOM   3433  CD1 LEU B 103       7.573 141.493  -2.688  1.00 16.11           C  
-ATOM   3434  CD2 LEU B 103       8.034 140.066  -0.655  1.00 15.61           C  
-ATOM   3435  N   CYS B 104       4.005 137.187  -3.008  1.00 11.63           N  
-ATOM   3436  CA  CYS B 104       2.652 136.643  -2.905  1.00 11.36           C  
-ATOM   3437  C   CYS B 104       2.703 135.216  -2.359  1.00 13.73           C  
-ATOM   3438  O   CYS B 104       1.942 134.874  -1.440  1.00 13.81           O  
-ATOM   3439  CB  CYS B 104       1.946 136.619  -4.265  1.00 13.34           C  
-ATOM   3440  SG  CYS B 104       1.514 138.240  -4.938  1.00 15.71           S  
-ATOM   3441  N   TYR B 105       3.571 134.379  -2.939  1.00 11.31           N  
-ATOM   3442  CA  TYR B 105       3.703 132.985  -2.512  1.00 11.61           C  
-ATOM   3443  C   TYR B 105       4.169 132.859  -1.055  1.00 11.18           C  
-ATOM   3444  O   TYR B 105       3.562 132.134  -0.263  1.00 11.91           O  
-ATOM   3445  CB  TYR B 105       4.649 132.209  -3.446  1.00 10.34           C  
-ATOM   3446  CG  TYR B 105       5.113 130.888  -2.852  1.00 12.13           C  
-ATOM   3447  CD1 TYR B 105       4.213 129.850  -2.604  1.00 13.33           C  
-ATOM   3448  CD2 TYR B 105       6.440 130.709  -2.464  1.00 12.90           C  
-ATOM   3449  CE1 TYR B 105       4.628 128.667  -1.972  1.00 11.67           C  
-ATOM   3450  CE2 TYR B 105       6.864 129.539  -1.837  1.00 11.51           C  
-ATOM   3451  CZ  TYR B 105       5.956 128.530  -1.592  1.00 11.91           C  
-ATOM   3452  OH  TYR B 105       6.383 127.402  -0.944  1.00 12.42           O  
-ATOM   3453  N   TRP B 106       5.256 133.537  -0.705  1.00 10.08           N  
-ATOM   3454  CA  TRP B 106       5.775 133.489   0.661  1.00 10.58           C  
-ATOM   3455  C   TRP B 106       4.694 133.864   1.685  1.00 12.26           C  
-ATOM   3456  O   TRP B 106       4.506 133.169   2.699  1.00 12.16           O  
-ATOM   3457  CB  TRP B 106       6.963 134.448   0.813  1.00 10.01           C  
-ATOM   3458  CG  TRP B 106       8.209 134.033   0.076  1.00 10.27           C  
-ATOM   3459  CD1 TRP B 106       8.593 132.757  -0.260  1.00 11.75           C  
-ATOM   3460  CD2 TRP B 106       9.224 134.904  -0.435  1.00 11.29           C  
-ATOM   3461  NE1 TRP B 106       9.785 132.789  -0.954  1.00 10.34           N  
-ATOM   3462  CE2 TRP B 106      10.190 134.093  -1.080  1.00 11.97           C  
-ATOM   3463  CE3 TRP B 106       9.410 136.296  -0.416  1.00 11.58           C  
-ATOM   3464  CZ2 TRP B 106      11.327 134.632  -1.708  1.00 12.02           C  
-ATOM   3465  CZ3 TRP B 106      10.550 136.832  -1.043  1.00 12.89           C  
-ATOM   3466  CH2 TRP B 106      11.486 135.996  -1.679  1.00 10.26           C  
-ATOM   3467  N   ILE B 107       3.972 134.948   1.411  1.00 10.98           N  
-ATOM   3468  CA  ILE B 107       2.923 135.410   2.318  1.00 11.02           C  
-ATOM   3469  C   ILE B 107       1.711 134.480   2.365  1.00 11.25           C  
-ATOM   3470  O   ILE B 107       1.278 134.072   3.454  1.00 13.20           O  
-ATOM   3471  CB  ILE B 107       2.518 136.860   2.001  1.00 10.52           C  
-ATOM   3472  CG1 ILE B 107       3.705 137.777   2.298  1.00  9.81           C  
-ATOM   3473  CG2 ILE B 107       1.309 137.281   2.837  1.00  9.63           C  
-ATOM   3474  CD1 ILE B 107       3.556 139.195   1.746  1.00 11.60           C  
-ATOM   3475  N   LEU B 108       1.193 134.096   1.205  1.00  9.99           N  
-ATOM   3476  CA  LEU B 108       0.043 133.192   1.160  1.00 10.29           C  
-ATOM   3477  C   LEU B 108       0.346 131.841   1.793  1.00 11.98           C  
-ATOM   3478  O   LEU B 108      -0.468 131.294   2.540  1.00 12.46           O  
-ATOM   3479  CB  LEU B 108      -0.439 132.994  -0.276  1.00 10.56           C  
-ATOM   3480  CG  LEU B 108      -1.127 134.228  -0.884  1.00 13.61           C  
-ATOM   3481  CD1 LEU B 108      -1.540 133.971  -2.333  1.00 15.48           C  
-ATOM   3482  CD2 LEU B 108      -2.343 134.594  -0.055  1.00 14.60           C  
-ATOM   3483  N   HIS B 109       1.523 131.293   1.510  1.00 11.53           N  
-ATOM   3484  CA  HIS B 109       1.885 129.998   2.082  1.00 10.93           C  
-ATOM   3485  C   HIS B 109       2.015 130.085   3.607  1.00 11.46           C  
-ATOM   3486  O   HIS B 109       1.637 129.149   4.320  1.00  9.94           O  
-ATOM   3487  CB  HIS B 109       3.181 129.466   1.485  1.00  9.06           C  
-ATOM   3488  CG  HIS B 109       3.542 128.108   1.986  1.00  9.72           C  
-ATOM   3489  ND1 HIS B 109       2.635 127.071   2.031  1.00  9.53           N  
-ATOM   3490  CD2 HIS B 109       4.705 127.611   2.464  1.00 10.18           C  
-ATOM   3491  CE1 HIS B 109       3.224 125.991   2.509  1.00 11.34           C  
-ATOM   3492  NE2 HIS B 109       4.482 126.292   2.780  1.00 12.17           N  
-ATOM   3493  N   SER B 110       2.567 131.191   4.101  1.00 11.25           N  
-ATOM   3494  CA  SER B 110       2.707 131.382   5.545  1.00 11.80           C  
-ATOM   3495  C   SER B 110       1.311 131.456   6.193  1.00 12.06           C  
-ATOM   3496  O   SER B 110       1.056 130.800   7.210  1.00 12.17           O  
-ATOM   3497  CB  SER B 110       3.509 132.651   5.855  1.00 10.96           C  
-ATOM   3498  OG  SER B 110       4.839 132.574   5.356  1.00 11.96           O  
-ATOM   3499  N   LEU B 111       0.398 132.215   5.580  1.00 11.66           N  
-ATOM   3500  CA  LEU B 111      -0.965 132.345   6.101  1.00 11.63           C  
-ATOM   3501  C   LEU B 111      -1.651 130.989   6.060  1.00 12.62           C  
-ATOM   3502  O   LEU B 111      -2.414 130.627   6.964  1.00 12.70           O  
-ATOM   3503  CB  LEU B 111      -1.759 133.374   5.288  1.00 11.83           C  
-ATOM   3504  CG  LEU B 111      -1.305 134.833   5.457  1.00 12.99           C  
-ATOM   3505  CD1 LEU B 111      -1.934 135.708   4.369  1.00 13.76           C  
-ATOM   3506  CD2 LEU B 111      -1.660 135.350   6.852  1.00 12.57           C  
-ATOM   3507  N   GLU B 112      -1.367 130.229   5.006  1.00 11.80           N  
-ATOM   3508  CA  GLU B 112      -1.926 128.896   4.845  1.00 12.52           C  
-ATOM   3509  C   GLU B 112      -1.412 127.965   5.972  1.00 12.85           C  
-ATOM   3510  O   GLU B 112      -2.184 127.198   6.569  1.00 12.43           O  
-ATOM   3511  CB  GLU B 112      -1.543 128.360   3.461  1.00 13.57           C  
-ATOM   3512  CG  GLU B 112      -1.667 126.885   3.317  1.00 17.30           C  
-ATOM   3513  CD  GLU B 112      -1.106 126.357   2.011  1.00 16.96           C  
-ATOM   3514  OE1 GLU B 112      -0.030 126.795   1.564  1.00 15.03           O  
-ATOM   3515  OE2 GLU B 112      -1.747 125.461   1.447  1.00 18.84           O  
-ATOM   3516  N   LEU B 113      -0.116 128.029   6.262  1.00 10.84           N  
-ATOM   3517  CA  LEU B 113       0.459 127.199   7.320  1.00 11.34           C  
-ATOM   3518  C   LEU B 113      -0.169 127.542   8.676  1.00 12.12           C  
-ATOM   3519  O   LEU B 113      -0.407 126.652   9.508  1.00 11.03           O  
-ATOM   3520  CB  LEU B 113       1.972 127.399   7.379  1.00 11.61           C  
-ATOM   3521  CG  LEU B 113       2.760 126.739   6.235  1.00 13.73           C  
-ATOM   3522  CD1 LEU B 113       4.200 127.209   6.269  1.00 14.31           C  
-ATOM   3523  CD2 LEU B 113       2.694 125.220   6.346  1.00 14.62           C  
-ATOM   3524  N   LEU B 114      -0.420 128.833   8.880  1.00 10.84           N  
-ATOM   3525  CA  LEU B 114      -1.006 129.357  10.109  1.00 13.48           C  
-ATOM   3526  C   LEU B 114      -2.524 129.182  10.170  1.00 16.06           C  
-ATOM   3527  O   LEU B 114      -3.165 129.623  11.130  1.00 16.97           O  
-ATOM   3528  CB  LEU B 114      -0.665 130.842  10.252  1.00 11.60           C  
-ATOM   3529  CG  LEU B 114       0.808 131.160  10.451  1.00 11.52           C  
-ATOM   3530  CD1 LEU B 114       1.034 132.654  10.310  1.00 12.10           C  
-ATOM   3531  CD2 LEU B 114       1.260 130.648  11.840  1.00 13.54           C  
-ATOM   3532  N   ASP B 115      -3.097 128.578   9.133  1.00 17.29           N  
-ATOM   3533  CA  ASP B 115      -4.538 128.346   9.044  1.00 20.20           C  
-ATOM   3534  C   ASP B 115      -5.349 129.652   9.126  1.00 21.46           C  
-ATOM   3535  O   ASP B 115      -6.388 129.712   9.794  1.00 20.89           O  
-ATOM   3536  CB  ASP B 115      -4.986 127.353  10.132  1.00 22.25           C  
-ATOM   3537  CG  ASP B 115      -6.280 126.624   9.772  1.00 26.82           C  
-ATOM   3538  OD1 ASP B 115      -6.617 126.526   8.569  1.00 27.97           O  
-ATOM   3539  OD2 ASP B 115      -6.965 126.139  10.698  1.00 30.25           O  
-ATOM   3540  N   GLU B 116      -4.849 130.699   8.472  1.00 21.87           N  
-ATOM   3541  CA  GLU B 116      -5.521 131.997   8.447  1.00 23.81           C  
-ATOM   3542  C   GLU B 116      -6.148 132.094   7.063  1.00 27.14           C  
-ATOM   3543  O   GLU B 116      -5.443 132.136   6.050  1.00 27.81           O  
-ATOM   3544  CB  GLU B 116      -4.522 133.142   8.651  1.00 23.06           C  
-ATOM   3545  CG  GLU B 116      -3.672 133.057   9.925  1.00 23.10           C  
-ATOM   3546  CD  GLU B 116      -4.373 133.557  11.188  1.00 27.11           C  
-ATOM   3547  OE1 GLU B 116      -5.574 133.911  11.120  1.00 25.81           O  
-ATOM   3548  OE2 GLU B 116      -3.707 133.604  12.256  1.00 28.36           O  
-ATOM   3549  N   PRO B 117      -7.488 132.096   6.993  1.00 30.14           N  
-ATOM   3550  CA  PRO B 117      -8.148 132.179   5.684  1.00 31.26           C  
-ATOM   3551  C   PRO B 117      -7.857 133.459   4.898  1.00 30.32           C  
-ATOM   3552  O   PRO B 117      -7.524 134.508   5.462  1.00 30.36           O  
-ATOM   3553  CB  PRO B 117      -9.635 132.028   6.030  1.00 31.04           C  
-ATOM   3554  CG  PRO B 117      -9.725 132.616   7.417  1.00 32.34           C  
-ATOM   3555  CD  PRO B 117      -8.474 132.066   8.090  1.00 32.22           C  
-ATOM   3556  N   ILE B 118      -7.915 133.321   3.580  1.00 29.96           N  
-ATOM   3557  CA  ILE B 118      -7.685 134.426   2.667  1.00 29.60           C  
-ATOM   3558  C   ILE B 118      -9.058 134.953   2.287  1.00 27.76           C  
-ATOM   3559  O   ILE B 118      -9.884 134.219   1.752  1.00 28.26           O  
-ATOM   3560  CB  ILE B 118      -6.960 133.945   1.382  1.00 29.98           C  
-ATOM   3561  CG1 ILE B 118      -5.730 133.112   1.759  1.00 31.20           C  
-ATOM   3562  CG2 ILE B 118      -6.555 135.132   0.514  1.00 29.05           C  
-ATOM   3563  CD1 ILE B 118      -4.871 133.750   2.846  1.00 32.73           C  
-ATOM   3564  N   PRO B 119      -9.361 136.196   2.658  1.00 26.53           N  
-ATOM   3565  CA  PRO B 119     -10.672 136.759   2.308  1.00 26.36           C  
-ATOM   3566  C   PRO B 119     -10.842 136.709   0.783  1.00 26.02           C  
-ATOM   3567  O   PRO B 119      -9.864 136.873   0.052  1.00 24.87           O  
-ATOM   3568  CB  PRO B 119     -10.557 138.197   2.807  1.00 27.23           C  
-ATOM   3569  CG  PRO B 119      -9.612 138.065   3.987  1.00 28.15           C  
-ATOM   3570  CD  PRO B 119      -8.562 137.130   3.465  1.00 25.78           C  
-ATOM   3571  N   GLN B 120     -12.060 136.485   0.297  1.00 26.81           N  
-ATOM   3572  CA  GLN B 120     -12.300 136.415  -1.152  1.00 29.74           C  
-ATOM   3573  C   GLN B 120     -11.773 137.633  -1.945  1.00 28.39           C  
-ATOM   3574  O   GLN B 120     -11.229 137.476  -3.038  1.00 26.89           O  
-ATOM   3575  CB  GLN B 120     -13.791 136.227  -1.444  1.00 35.72           C  
-ATOM   3576  CG  GLN B 120     -14.102 135.362  -2.687  1.00 45.47           C  
-ATOM   3577  CD  GLN B 120     -13.422 135.850  -3.984  1.00 51.58           C  
-ATOM   3578  OE1 GLN B 120     -12.480 135.211  -4.504  1.00 53.35           O  
-ATOM   3579  NE2 GLN B 120     -13.894 136.986  -4.506  1.00 54.24           N  
-ATOM   3580  N   ILE B 121     -11.938 138.834  -1.393  1.00 26.48           N  
-ATOM   3581  CA  ILE B 121     -11.484 140.063  -2.041  1.00 26.76           C  
-ATOM   3582  C   ILE B 121      -9.985 140.031  -2.277  1.00 25.20           C  
-ATOM   3583  O   ILE B 121      -9.504 140.378  -3.357  1.00 23.91           O  
-ATOM   3584  CB  ILE B 121     -11.802 141.300  -1.172  1.00 28.27           C  
-ATOM   3585  CG1 ILE B 121     -13.312 141.501  -1.084  1.00 32.32           C  
-ATOM   3586  CG2 ILE B 121     -11.149 142.532  -1.748  1.00 29.41           C  
-ATOM   3587  CD1 ILE B 121     -14.000 141.530  -2.429  1.00 35.85           C  
-ATOM   3588  N   VAL B 122      -9.255 139.636  -1.239  1.00 22.87           N  
-ATOM   3589  CA  VAL B 122      -7.808 139.543  -1.301  1.00 22.01           C  
-ATOM   3590  C   VAL B 122      -7.401 138.470  -2.328  1.00 20.10           C  
-ATOM   3591  O   VAL B 122      -6.506 138.698  -3.156  1.00 18.53           O  
-ATOM   3592  CB  VAL B 122      -7.224 139.217   0.094  1.00 22.22           C  
-ATOM   3593  CG1 VAL B 122      -5.723 139.068   0.020  1.00 22.69           C  
-ATOM   3594  CG2 VAL B 122      -7.582 140.333   1.066  1.00 25.11           C  
-ATOM   3595  N   ALA B 123      -8.104 137.340  -2.307  1.00 17.40           N  
-ATOM   3596  CA  ALA B 123      -7.821 136.244  -3.218  1.00 18.39           C  
-ATOM   3597  C   ALA B 123      -7.982 136.693  -4.666  1.00 20.87           C  
-ATOM   3598  O   ALA B 123      -7.138 136.392  -5.524  1.00 19.99           O  
-ATOM   3599  CB  ALA B 123      -8.733 135.078  -2.925  1.00 18.29           C  
-ATOM   3600  N   THR B 124      -9.063 137.425  -4.931  1.00 20.39           N  
-ATOM   3601  CA  THR B 124      -9.342 137.933  -6.270  1.00 20.70           C  
-ATOM   3602  C   THR B 124      -8.287 138.941  -6.710  1.00 19.08           C  
-ATOM   3603  O   THR B 124      -7.804 138.889  -7.849  1.00 18.21           O  
-ATOM   3604  CB  THR B 124     -10.756 138.549  -6.337  1.00 23.23           C  
-ATOM   3605  OG1 THR B 124     -11.715 137.502  -6.127  1.00 26.79           O  
-ATOM   3606  CG2 THR B 124     -11.014 139.186  -7.704  1.00 23.13           C  
-ATOM   3607  N   ASP B 125      -7.908 139.836  -5.801  1.00 18.03           N  
-ATOM   3608  CA  ASP B 125      -6.885 140.827  -6.105  1.00 17.82           C  
-ATOM   3609  C   ASP B 125      -5.551 140.153  -6.429  1.00 17.93           C  
-ATOM   3610  O   ASP B 125      -4.851 140.572  -7.351  1.00 16.69           O  
-ATOM   3611  CB  ASP B 125      -6.709 141.799  -4.939  1.00 19.79           C  
-ATOM   3612  CG  ASP B 125      -7.913 142.732  -4.761  1.00 24.36           C  
-ATOM   3613  OD1 ASP B 125      -8.031 143.345  -3.682  1.00 24.52           O  
-ATOM   3614  OD2 ASP B 125      -8.737 142.858  -5.696  1.00 23.09           O  
-ATOM   3615  N   VAL B 126      -5.195 139.116  -5.671  1.00 16.06           N  
-ATOM   3616  CA  VAL B 126      -3.945 138.400  -5.920  1.00 15.31           C  
-ATOM   3617  C   VAL B 126      -4.001 137.784  -7.308  1.00 15.37           C  
-ATOM   3618  O   VAL B 126      -3.043 137.897  -8.074  1.00 14.83           O  
-ATOM   3619  CB  VAL B 126      -3.678 137.313  -4.851  1.00 15.04           C  
-ATOM   3620  CG1 VAL B 126      -2.444 136.473  -5.233  1.00 16.59           C  
-ATOM   3621  CG2 VAL B 126      -3.442 137.973  -3.512  1.00 12.72           C  
-ATOM   3622  N   CYS B 127      -5.123 137.146  -7.636  1.00 15.37           N  
-ATOM   3623  CA  CYS B 127      -5.305 136.550  -8.957  1.00 16.94           C  
-ATOM   3624  C   CYS B 127      -5.115 137.596 -10.068  1.00 18.65           C  
-ATOM   3625  O   CYS B 127      -4.386 137.358 -11.041  1.00 16.42           O  
-ATOM   3626  CB  CYS B 127      -6.699 135.940  -9.081  1.00 17.60           C  
-ATOM   3627  SG  CYS B 127      -6.912 134.412  -8.180  1.00 19.06           S  
-ATOM   3628  N   GLN B 128      -5.752 138.757  -9.911  1.00 18.26           N  
-ATOM   3629  CA  GLN B 128      -5.642 139.826 -10.907  1.00 20.10           C  
-ATOM   3630  C   GLN B 128      -4.203 140.292 -11.067  1.00 18.29           C  
-ATOM   3631  O   GLN B 128      -3.731 140.489 -12.193  1.00 17.84           O  
-ATOM   3632  CB  GLN B 128      -6.537 141.011 -10.537  1.00 23.43           C  
-ATOM   3633  CG  GLN B 128      -8.022 140.714 -10.703  1.00 30.43           C  
-ATOM   3634  CD  GLN B 128      -8.919 141.870 -10.260  1.00 36.78           C  
-ATOM   3635  OE1 GLN B 128      -8.446 142.925  -9.798  1.00 39.40           O  
-ATOM   3636  NE2 GLN B 128     -10.226 141.673 -10.395  1.00 38.35           N  
-ATOM   3637  N   PHE B 129      -3.505 140.466  -9.946  1.00 15.66           N  
-ATOM   3638  CA  PHE B 129      -2.113 140.890  -9.994  1.00 15.53           C  
-ATOM   3639  C   PHE B 129      -1.256 139.853 -10.721  1.00 16.24           C  
-ATOM   3640  O   PHE B 129      -0.458 140.202 -11.594  1.00 15.64           O  
-ATOM   3641  CB  PHE B 129      -1.548 141.125  -8.587  1.00 14.35           C  
-ATOM   3642  CG  PHE B 129      -0.061 141.418  -8.577  1.00 16.80           C  
-ATOM   3643  CD1 PHE B 129       0.442 142.561  -9.195  1.00 15.39           C  
-ATOM   3644  CD2 PHE B 129       0.840 140.517  -8.006  1.00 15.44           C  
-ATOM   3645  CE1 PHE B 129       1.814 142.794  -9.250  1.00 16.19           C  
-ATOM   3646  CE2 PHE B 129       2.213 140.747  -8.055  1.00 14.94           C  
-ATOM   3647  CZ  PHE B 129       2.701 141.882  -8.678  1.00 15.79           C  
-ATOM   3648  N   LEU B 130      -1.421 138.576 -10.376  1.00 16.01           N  
-ATOM   3649  CA  LEU B 130      -0.627 137.538 -11.023  1.00 16.65           C  
-ATOM   3650  C   LEU B 130      -0.935 137.465 -12.516  1.00 16.14           C  
-ATOM   3651  O   LEU B 130      -0.056 137.166 -13.322  1.00 16.87           O  
-ATOM   3652  CB  LEU B 130      -0.790 136.188 -10.307  1.00 15.56           C  
-ATOM   3653  CG  LEU B 130      -0.212 136.218  -8.880  1.00 16.18           C  
-ATOM   3654  CD1 LEU B 130      -0.508 134.928  -8.142  1.00 14.78           C  
-ATOM   3655  CD2 LEU B 130       1.298 136.475  -8.899  1.00 15.17           C  
-ATOM   3656  N   GLU B 131      -2.166 137.804 -12.894  1.00 17.06           N  
-ATOM   3657  CA  GLU B 131      -2.538 137.819 -14.307  1.00 18.70           C  
-ATOM   3658  C   GLU B 131      -1.714 138.905 -15.007  1.00 17.04           C  
-ATOM   3659  O   GLU B 131      -1.174 138.685 -16.096  1.00 16.60           O  
-ATOM   3660  CB  GLU B 131      -4.031 138.091 -14.472  1.00 22.70           C  
-ATOM   3661  CG  GLU B 131      -4.507 138.137 -15.915  1.00 31.67           C  
-ATOM   3662  CD  GLU B 131      -6.013 137.938 -16.029  1.00 40.06           C  
-ATOM   3663  OE1 GLU B 131      -6.764 138.499 -15.185  1.00 42.84           O  
-ATOM   3664  OE2 GLU B 131      -6.446 137.193 -16.946  1.00 44.11           O  
-ATOM   3665  N   LEU B 132      -1.551 140.043 -14.339  1.00 15.27           N  
-ATOM   3666  CA  LEU B 132      -0.762 141.146 -14.888  1.00 15.11           C  
-ATOM   3667  C   LEU B 132       0.723 140.790 -15.031  1.00 15.76           C  
-ATOM   3668  O   LEU B 132       1.448 141.403 -15.826  1.00 14.26           O  
-ATOM   3669  CB  LEU B 132      -0.899 142.395 -14.014  1.00 15.26           C  
-ATOM   3670  CG  LEU B 132      -2.299 143.005 -13.944  1.00 17.57           C  
-ATOM   3671  CD1 LEU B 132      -2.296 144.227 -13.013  1.00 17.71           C  
-ATOM   3672  CD2 LEU B 132      -2.745 143.383 -15.348  1.00 17.72           C  
-ATOM   3673  N   CYS B 133       1.199 139.862 -14.205  1.00 14.58           N  
-ATOM   3674  CA  CYS B 133       2.598 139.447 -14.269  1.00 12.75           C  
-ATOM   3675  C   CYS B 133       2.829 138.376 -15.337  1.00 12.62           C  
-ATOM   3676  O   CYS B 133       3.974 138.092 -15.699  1.00 13.82           O  
-ATOM   3677  CB  CYS B 133       3.044 138.889 -12.914  1.00 12.42           C  
-ATOM   3678  SG  CYS B 133       3.055 140.055 -11.566  1.00 13.33           S  
-ATOM   3679  N   GLN B 134       1.758 137.744 -15.809  1.00 12.07           N  
-ATOM   3680  CA  GLN B 134       1.896 136.687 -16.797  1.00 13.15           C  
-ATOM   3681  C   GLN B 134       2.276 137.241 -18.152  1.00 15.50           C  
-ATOM   3682  O   GLN B 134       1.663 138.186 -18.640  1.00 15.74           O  
-ATOM   3683  CB  GLN B 134       0.624 135.857 -16.895  1.00 12.68           C  
-ATOM   3684  CG  GLN B 134       0.817 134.568 -17.692  1.00 11.93           C  
-ATOM   3685  CD  GLN B 134      -0.389 133.672 -17.599  1.00 14.40           C  
-ATOM   3686  OE1 GLN B 134      -1.529 134.143 -17.484  1.00 17.77           O  
-ATOM   3687  NE2 GLN B 134      -0.160 132.385 -17.625  1.00  9.42           N  
-ATOM   3688  N   SER B 135       3.302 136.654 -18.752  1.00 15.64           N  
-ATOM   3689  CA  SER B 135       3.780 137.103 -20.045  1.00 18.32           C  
-ATOM   3690  C   SER B 135       3.004 136.502 -21.201  1.00 19.03           C  
-ATOM   3691  O   SER B 135       2.506 135.370 -21.120  1.00 18.84           O  
-ATOM   3692  CB  SER B 135       5.261 136.755 -20.199  1.00 19.28           C  
-ATOM   3693  OG  SER B 135       5.726 137.001 -21.523  1.00 21.04           O  
-ATOM   3694  N   PRO B 136       2.838 137.275 -22.288  1.00 20.88           N  
-ATOM   3695  CA  PRO B 136       2.113 136.742 -23.443  1.00 21.54           C  
-ATOM   3696  C   PRO B 136       2.886 135.571 -24.079  1.00 20.94           C  
-ATOM   3697  O   PRO B 136       2.303 134.735 -24.755  1.00 22.38           O  
-ATOM   3698  CB  PRO B 136       1.991 137.963 -24.371  1.00 21.96           C  
-ATOM   3699  CG  PRO B 136       3.115 138.847 -23.958  1.00 22.95           C  
-ATOM   3700  CD  PRO B 136       3.126 138.710 -22.463  1.00 20.99           C  
-ATOM   3701  N   GLU B 137       4.187 135.476 -23.806  1.00 22.88           N  
-ATOM   3702  CA  GLU B 137       4.988 134.372 -24.337  1.00 22.67           C  
-ATOM   3703  C   GLU B 137       4.883 133.137 -23.425  1.00 20.03           C  
-ATOM   3704  O   GLU B 137       5.390 132.070 -23.761  1.00 19.16           O  
-ATOM   3705  CB  GLU B 137       6.461 134.786 -24.502  1.00 26.47           C  
-ATOM   3706  CG  GLU B 137       7.262 134.864 -23.199  1.00 32.20           C  
-ATOM   3707  CD  GLU B 137       8.759 135.165 -23.406  1.00 36.28           C  
-ATOM   3708  OE1 GLU B 137       9.526 134.250 -23.770  1.00 37.52           O  
-ATOM   3709  OE2 GLU B 137       9.186 136.313 -23.160  1.00 38.00           O  
-ATOM   3710  N   GLY B 138       4.182 133.275 -22.302  1.00 18.16           N  
-ATOM   3711  CA  GLY B 138       4.045 132.171 -21.362  1.00 14.23           C  
-ATOM   3712  C   GLY B 138       4.927 132.399 -20.142  1.00 13.12           C  
-ATOM   3713  O   GLY B 138       5.966 133.055 -20.225  1.00 11.73           O  
-ATOM   3714  N   GLY B 139       4.544 131.820 -19.010  1.00 12.44           N  
-ATOM   3715  CA  GLY B 139       5.318 132.023 -17.799  1.00 11.89           C  
-ATOM   3716  C   GLY B 139       4.940 133.345 -17.145  1.00 12.56           C  
-ATOM   3717  O   GLY B 139       4.112 134.105 -17.671  1.00 12.66           O  
-ATOM   3718  N   PHE B 140       5.522 133.609 -15.982  1.00 12.46           N  
-ATOM   3719  CA  PHE B 140       5.259 134.835 -15.232  1.00 12.23           C  
-ATOM   3720  C   PHE B 140       6.568 135.575 -14.982  1.00 13.07           C  
-ATOM   3721  O   PHE B 140       7.628 134.938 -14.832  1.00 12.95           O  
-ATOM   3722  CB  PHE B 140       4.602 134.509 -13.878  1.00 11.88           C  
-ATOM   3723  CG  PHE B 140       3.242 133.864 -13.990  1.00 10.21           C  
-ATOM   3724  CD1 PHE B 140       3.124 132.507 -14.288  1.00 10.53           C  
-ATOM   3725  CD2 PHE B 140       2.082 134.608 -13.769  1.00 10.98           C  
-ATOM   3726  CE1 PHE B 140       1.862 131.881 -14.366  1.00 10.92           C  
-ATOM   3727  CE2 PHE B 140       0.805 133.997 -13.842  1.00 12.57           C  
-ATOM   3728  CZ  PHE B 140       0.696 132.623 -14.141  1.00 11.72           C  
-ATOM   3729  N   GLY B 141       6.505 136.910 -14.996  1.00 11.49           N  
-ATOM   3730  CA  GLY B 141       7.670 137.734 -14.725  1.00 10.15           C  
-ATOM   3731  C   GLY B 141       7.625 138.230 -13.281  1.00 11.15           C  
-ATOM   3732  O   GLY B 141       6.627 138.014 -12.564  1.00 12.23           O  
-ATOM   3733  N   GLY B 142       8.659 138.955 -12.871  1.00 11.42           N  
-ATOM   3734  CA  GLY B 142       8.731 139.464 -11.506  1.00 12.48           C  
-ATOM   3735  C   GLY B 142       7.771 140.587 -11.145  1.00 13.82           C  
-ATOM   3736  O   GLY B 142       7.657 140.964  -9.975  1.00 12.76           O  
-ATOM   3737  N   GLY B 143       7.072 141.108 -12.149  1.00 14.59           N  
-ATOM   3738  CA  GLY B 143       6.119 142.192 -11.955  1.00 13.57           C  
-ATOM   3739  C   GLY B 143       5.481 142.450 -13.317  1.00 14.91           C  
-ATOM   3740  O   GLY B 143       5.928 141.886 -14.318  1.00 13.14           O  
-ATOM   3741  N   PRO B 144       4.454 143.308 -13.400  1.00 15.37           N  
-ATOM   3742  CA  PRO B 144       3.791 143.595 -14.674  1.00 16.58           C  
-ATOM   3743  C   PRO B 144       4.740 144.131 -15.747  1.00 16.37           C  
-ATOM   3744  O   PRO B 144       5.495 145.079 -15.514  1.00 15.73           O  
-ATOM   3745  CB  PRO B 144       2.739 144.637 -14.276  1.00 16.59           C  
-ATOM   3746  CG  PRO B 144       2.434 144.279 -12.848  1.00 16.41           C  
-ATOM   3747  CD  PRO B 144       3.826 144.070 -12.308  1.00 15.43           C  
-ATOM   3748  N   GLY B 145       4.730 143.484 -16.909  1.00 17.36           N  
-ATOM   3749  CA  GLY B 145       5.577 143.921 -18.007  1.00 17.15           C  
-ATOM   3750  C   GLY B 145       6.983 143.356 -18.030  1.00 17.96           C  
-ATOM   3751  O   GLY B 145       7.742 143.601 -18.982  1.00 17.22           O  
-ATOM   3752  N   GLN B 146       7.362 142.616 -16.992  1.00 16.05           N  
-ATOM   3753  CA  GLN B 146       8.697 142.034 -16.971  1.00 13.94           C  
-ATOM   3754  C   GLN B 146       8.719 140.743 -17.789  1.00 13.61           C  
-ATOM   3755  O   GLN B 146       7.684 140.110 -17.974  1.00 13.78           O  
-ATOM   3756  CB  GLN B 146       9.134 141.767 -15.531  1.00 12.30           C  
-ATOM   3757  CG  GLN B 146       9.199 143.048 -14.702  1.00 11.50           C  
-ATOM   3758  CD  GLN B 146       9.646 142.810 -13.277  1.00 14.43           C  
-ATOM   3759  OE1 GLN B 146      10.421 141.889 -13.000  1.00 13.86           O  
-ATOM   3760  NE2 GLN B 146       9.170 143.646 -12.361  1.00 11.83           N  
-ATOM   3761  N   TYR B 147       9.880 140.390 -18.332  1.00 13.62           N  
-ATOM   3762  CA  TYR B 147      10.014 139.145 -19.092  1.00 14.91           C  
-ATOM   3763  C   TYR B 147       9.722 137.991 -18.124  1.00 15.31           C  
-ATOM   3764  O   TYR B 147       9.859 138.152 -16.897  1.00 15.16           O  
-ATOM   3765  CB  TYR B 147      11.448 138.986 -19.611  1.00 15.37           C  
-ATOM   3766  CG  TYR B 147      11.837 139.990 -20.663  1.00 20.14           C  
-ATOM   3767  CD1 TYR B 147      13.162 140.381 -20.818  1.00 22.30           C  
-ATOM   3768  CD2 TYR B 147      10.880 140.543 -21.508  1.00 23.54           C  
-ATOM   3769  CE1 TYR B 147      13.528 141.297 -21.791  1.00 26.38           C  
-ATOM   3770  CE2 TYR B 147      11.235 141.460 -22.488  1.00 26.65           C  
-ATOM   3771  CZ  TYR B 147      12.558 141.831 -22.624  1.00 27.97           C  
-ATOM   3772  OH  TYR B 147      12.915 142.728 -23.610  1.00 33.12           O  
-ATOM   3773  N   PRO B 148       9.260 136.837 -18.645  1.00 13.19           N  
-ATOM   3774  CA  PRO B 148       8.984 135.713 -17.741  1.00 11.81           C  
-ATOM   3775  C   PRO B 148      10.306 135.111 -17.222  1.00 12.40           C  
-ATOM   3776  O   PRO B 148      11.370 135.280 -17.835  1.00 13.56           O  
-ATOM   3777  CB  PRO B 148       8.187 134.750 -18.624  1.00 11.69           C  
-ATOM   3778  CG  PRO B 148       8.710 135.031 -19.990  1.00 12.18           C  
-ATOM   3779  CD  PRO B 148       8.856 136.529 -20.028  1.00 11.37           C  
-ATOM   3780  N   HIS B 149      10.252 134.439 -16.081  1.00 11.40           N  
-ATOM   3781  CA  HIS B 149      11.449 133.858 -15.476  1.00 11.46           C  
-ATOM   3782  C   HIS B 149      10.910 132.667 -14.681  1.00 11.63           C  
-ATOM   3783  O   HIS B 149       9.821 132.760 -14.086  1.00 11.14           O  
-ATOM   3784  CB  HIS B 149      12.056 134.925 -14.561  1.00 11.09           C  
-ATOM   3785  CG  HIS B 149      13.368 134.562 -13.941  1.00 11.21           C  
-ATOM   3786  ND1 HIS B 149      13.492 133.596 -12.966  1.00 11.69           N  
-ATOM   3787  CD2 HIS B 149      14.589 135.140 -14.053  1.00 12.11           C  
-ATOM   3788  CE1 HIS B 149      14.729 133.601 -12.496  1.00 11.82           C  
-ATOM   3789  NE2 HIS B 149      15.414 134.531 -13.139  1.00 13.54           N  
-ATOM   3790  N   LEU B 150      11.632 131.546 -14.683  1.00 10.85           N  
-ATOM   3791  CA  LEU B 150      11.159 130.348 -13.975  1.00 10.41           C  
-ATOM   3792  C   LEU B 150      10.919 130.499 -12.476  1.00 10.49           C  
-ATOM   3793  O   LEU B 150      10.021 129.857 -11.940  1.00 11.23           O  
-ATOM   3794  CB  LEU B 150      12.062 129.142 -14.251  1.00  8.13           C  
-ATOM   3795  CG  LEU B 150      11.724 128.403 -15.546  1.00  9.98           C  
-ATOM   3796  CD1 LEU B 150      12.783 127.327 -15.848  1.00  9.99           C  
-ATOM   3797  CD2 LEU B 150      10.322 127.789 -15.428  1.00 10.97           C  
-ATOM   3798  N   ALA B 151      11.699 131.344 -11.802  1.00 10.41           N  
-ATOM   3799  CA  ALA B 151      11.518 131.536 -10.352  1.00 10.31           C  
-ATOM   3800  C   ALA B 151      10.153 132.174 -10.062  1.00 10.49           C  
-ATOM   3801  O   ALA B 151       9.347 131.568  -9.350  1.00 11.20           O  
-ATOM   3802  CB  ALA B 151      12.687 132.324  -9.736  1.00 10.35           C  
-ATOM   3803  N   PRO B 152       9.866 133.396 -10.590  1.00 11.18           N  
-ATOM   3804  CA  PRO B 152       8.527 133.933 -10.290  1.00 10.79           C  
-ATOM   3805  C   PRO B 152       7.382 133.085 -10.910  1.00 11.66           C  
-ATOM   3806  O   PRO B 152       6.246 133.136 -10.436  1.00 11.76           O  
-ATOM   3807  CB  PRO B 152       8.582 135.367 -10.859  1.00 10.62           C  
-ATOM   3808  CG  PRO B 152       9.699 135.344 -11.841  1.00  9.77           C  
-ATOM   3809  CD  PRO B 152      10.717 134.449 -11.181  1.00  9.72           C  
-ATOM   3810  N   THR B 153       7.679 132.310 -11.961  1.00 10.59           N  
-ATOM   3811  CA  THR B 153       6.670 131.437 -12.580  1.00  9.85           C  
-ATOM   3812  C   THR B 153       6.300 130.365 -11.545  1.00 10.36           C  
-ATOM   3813  O   THR B 153       5.122 130.098 -11.313  1.00 10.27           O  
-ATOM   3814  CB  THR B 153       7.194 130.762 -13.877  1.00  9.07           C  
-ATOM   3815  OG1 THR B 153       7.443 131.771 -14.866  1.00 10.15           O  
-ATOM   3816  CG2 THR B 153       6.171 129.760 -14.429  1.00  9.42           C  
-ATOM   3817  N   TYR B 154       7.317 129.754 -10.936  1.00 10.48           N  
-ATOM   3818  CA  TYR B 154       7.105 128.761  -9.894  1.00 10.93           C  
-ATOM   3819  C   TYR B 154       6.269 129.372  -8.749  1.00 10.02           C  
-ATOM   3820  O   TYR B 154       5.291 128.771  -8.290  1.00 11.13           O  
-ATOM   3821  CB  TYR B 154       8.457 128.289  -9.359  1.00  9.37           C  
-ATOM   3822  CG  TYR B 154       8.369 127.576  -8.025  1.00  9.86           C  
-ATOM   3823  CD1 TYR B 154       8.062 126.217  -7.955  1.00  9.82           C  
-ATOM   3824  CD2 TYR B 154       8.609 128.262  -6.833  1.00 10.78           C  
-ATOM   3825  CE1 TYR B 154       7.999 125.558  -6.724  1.00 10.68           C  
-ATOM   3826  CE2 TYR B 154       8.551 127.618  -5.606  1.00 10.60           C  
-ATOM   3827  CZ  TYR B 154       8.251 126.267  -5.555  1.00 11.37           C  
-ATOM   3828  OH  TYR B 154       8.257 125.622  -4.335  1.00 10.67           O  
-ATOM   3829  N   ALA B 155       6.656 130.567  -8.303  1.00  9.99           N  
-ATOM   3830  CA  ALA B 155       5.971 131.261  -7.215  1.00 10.02           C  
-ATOM   3831  C   ALA B 155       4.527 131.591  -7.552  1.00 10.88           C  
-ATOM   3832  O   ALA B 155       3.623 131.343  -6.750  1.00 11.79           O  
-ATOM   3833  CB  ALA B 155       6.716 132.539  -6.841  1.00  8.71           C  
-ATOM   3834  N   ALA B 156       4.306 132.135  -8.745  1.00 10.15           N  
-ATOM   3835  CA  ALA B 156       2.961 132.505  -9.172  1.00 10.06           C  
-ATOM   3836  C   ALA B 156       2.037 131.295  -9.231  1.00 10.59           C  
-ATOM   3837  O   ALA B 156       0.892 131.360  -8.767  1.00 11.13           O  
-ATOM   3838  CB  ALA B 156       3.010 133.194 -10.517  1.00  9.27           C  
-ATOM   3839  N   VAL B 157       2.532 130.188  -9.785  1.00 10.50           N  
-ATOM   3840  CA  VAL B 157       1.736 128.976  -9.898  1.00  9.91           C  
-ATOM   3841  C   VAL B 157       1.394 128.438  -8.498  1.00 10.78           C  
-ATOM   3842  O   VAL B 157       0.242 128.081  -8.221  1.00 10.74           O  
-ATOM   3843  CB  VAL B 157       2.459 127.907 -10.771  1.00  9.88           C  
-ATOM   3844  CG1 VAL B 157       1.719 126.560 -10.698  1.00  8.74           C  
-ATOM   3845  CG2 VAL B 157       2.533 128.385 -12.241  1.00  9.58           C  
-ATOM   3846  N   ASN B 158       2.379 128.392  -7.608  1.00 11.18           N  
-ATOM   3847  CA  ASN B 158       2.121 127.932  -6.240  1.00 10.74           C  
-ATOM   3848  C   ASN B 158       1.088 128.822  -5.543  1.00 11.38           C  
-ATOM   3849  O   ASN B 158       0.173 128.316  -4.887  1.00 10.98           O  
-ATOM   3850  CB  ASN B 158       3.415 127.894  -5.417  1.00 10.89           C  
-ATOM   3851  CG  ASN B 158       4.061 126.513  -5.410  1.00 11.68           C  
-ATOM   3852  OD1 ASN B 158       3.613 125.601  -6.109  1.00 10.37           O  
-ATOM   3853  ND2 ASN B 158       5.105 126.349  -4.602  1.00 10.76           N  
-ATOM   3854  N   ALA B 159       1.219 130.142  -5.701  1.00 11.12           N  
-ATOM   3855  CA  ALA B 159       0.285 131.102  -5.092  1.00 10.71           C  
-ATOM   3856  C   ALA B 159      -1.137 130.848  -5.589  1.00 12.16           C  
-ATOM   3857  O   ALA B 159      -2.091 130.769  -4.797  1.00 11.76           O  
-ATOM   3858  CB  ALA B 159       0.708 132.534  -5.419  1.00  9.25           C  
-ATOM   3859  N   LEU B 160      -1.276 130.699  -6.905  1.00 12.23           N  
-ATOM   3860  CA  LEU B 160      -2.582 130.441  -7.506  1.00 11.87           C  
-ATOM   3861  C   LEU B 160      -3.163 129.133  -6.978  1.00 11.94           C  
-ATOM   3862  O   LEU B 160      -4.377 129.045  -6.730  1.00 12.69           O  
-ATOM   3863  CB  LEU B 160      -2.479 130.423  -9.042  1.00 11.59           C  
-ATOM   3864  CG  LEU B 160      -2.147 131.793  -9.660  1.00 11.56           C  
-ATOM   3865  CD1 LEU B 160      -1.769 131.651 -11.136  1.00 12.74           C  
-ATOM   3866  CD2 LEU B 160      -3.329 132.729  -9.502  1.00 10.59           C  
-ATOM   3867  N   CYS B 161      -2.308 128.127  -6.781  1.00 11.12           N  
-ATOM   3868  CA  CYS B 161      -2.778 126.836  -6.254  1.00 12.96           C  
-ATOM   3869  C   CYS B 161      -3.181 126.953  -4.777  1.00 13.31           C  
-ATOM   3870  O   CYS B 161      -4.146 126.318  -4.345  1.00 14.52           O  
-ATOM   3871  CB  CYS B 161      -1.752 125.717  -6.477  1.00 11.58           C  
-ATOM   3872  SG  CYS B 161      -1.563 125.303  -8.242  1.00 13.93           S  
-ATOM   3873  N   ILE B 162      -2.481 127.793  -4.019  1.00 12.26           N  
-ATOM   3874  CA  ILE B 162      -2.845 128.005  -2.617  1.00 13.33           C  
-ATOM   3875  C   ILE B 162      -4.264 128.625  -2.577  1.00 14.63           C  
-ATOM   3876  O   ILE B 162      -5.105 128.219  -1.770  1.00 14.62           O  
-ATOM   3877  CB  ILE B 162      -1.812 128.905  -1.887  1.00 12.36           C  
-ATOM   3878  CG1 ILE B 162      -0.517 128.112  -1.655  1.00 10.22           C  
-ATOM   3879  CG2 ILE B 162      -2.374 129.419  -0.552  1.00 11.77           C  
-ATOM   3880  CD1 ILE B 162       0.688 128.992  -1.287  1.00 10.36           C  
-ATOM   3881  N   ILE B 163      -4.533 129.593  -3.453  1.00 14.40           N  
-ATOM   3882  CA  ILE B 163      -5.865 130.210  -3.522  1.00 15.77           C  
-ATOM   3883  C   ILE B 163      -6.850 129.093  -3.901  1.00 15.83           C  
-ATOM   3884  O   ILE B 163      -7.901 128.939  -3.289  1.00 16.35           O  
-ATOM   3885  CB  ILE B 163      -5.870 131.398  -4.517  1.00 15.58           C  
-ATOM   3886  CG1 ILE B 163      -5.042 132.536  -3.921  1.00 13.89           C  
-ATOM   3887  CG2 ILE B 163      -7.301 131.861  -4.806  1.00 16.96           C  
-ATOM   3888  CD1 ILE B 163      -4.796 133.653  -4.861  1.00 16.32           C  
-ATOM   3889  N   GLY B 164      -6.483 128.304  -4.901  1.00 16.96           N  
-ATOM   3890  CA  GLY B 164      -7.270 127.144  -5.277  1.00 17.62           C  
-ATOM   3891  C   GLY B 164      -8.668 127.265  -5.826  1.00 18.63           C  
-ATOM   3892  O   GLY B 164      -9.417 126.294  -5.800  1.00 19.42           O  
-ATOM   3893  N   THR B 165      -9.036 128.437  -6.311  1.00 18.83           N  
-ATOM   3894  CA  THR B 165     -10.359 128.620  -6.881  1.00 19.59           C  
-ATOM   3895  C   THR B 165     -10.220 128.400  -8.386  1.00 21.03           C  
-ATOM   3896  O   THR B 165      -9.109 128.456  -8.927  1.00 18.49           O  
-ATOM   3897  CB  THR B 165     -10.861 130.049  -6.642  1.00 19.45           C  
-ATOM   3898  OG1 THR B 165      -9.924 130.979  -7.203  1.00 20.09           O  
-ATOM   3899  CG2 THR B 165     -11.013 130.325  -5.149  1.00 18.74           C  
-ATOM   3900  N   GLU B 166     -11.337 128.164  -9.070  1.00 22.96           N  
-ATOM   3901  CA  GLU B 166     -11.284 127.980 -10.515  1.00 24.53           C  
-ATOM   3902  C   GLU B 166     -10.795 129.274 -11.151  1.00 23.50           C  
-ATOM   3903  O   GLU B 166     -10.089 129.237 -12.158  1.00 21.98           O  
-ATOM   3904  CB  GLU B 166     -12.639 127.568 -11.074  1.00 27.39           C  
-ATOM   3905  CG  GLU B 166     -13.039 126.178 -10.613  1.00 34.90           C  
-ATOM   3906  CD  GLU B 166     -14.059 125.511 -11.523  1.00 40.05           C  
-ATOM   3907  OE1 GLU B 166     -14.437 126.107 -12.568  1.00 41.45           O  
-ATOM   3908  OE2 GLU B 166     -14.467 124.374 -11.189  1.00 40.67           O  
-ATOM   3909  N   GLU B 167     -11.119 130.406 -10.521  1.00 21.95           N  
-ATOM   3910  CA  GLU B 167     -10.669 131.705 -11.004  1.00 22.37           C  
-ATOM   3911  C   GLU B 167      -9.133 131.702 -11.018  1.00 21.58           C  
-ATOM   3912  O   GLU B 167      -8.508 132.084 -12.015  1.00 21.09           O  
-ATOM   3913  CB  GLU B 167     -11.165 132.836 -10.093  1.00 24.20           C  
-ATOM   3914  CG  GLU B 167     -10.648 134.225 -10.517  1.00 30.32           C  
-ATOM   3915  CD  GLU B 167     -10.818 135.329  -9.461  1.00 33.59           C  
-ATOM   3916  OE1 GLU B 167     -11.287 135.062  -8.332  1.00 35.91           O  
-ATOM   3917  OE2 GLU B 167     -10.454 136.485  -9.769  1.00 38.86           O  
-ATOM   3918  N   ALA B 168      -8.532 131.237  -9.922  1.00 19.39           N  
-ATOM   3919  CA  ALA B 168      -7.075 131.193  -9.802  1.00 17.85           C  
-ATOM   3920  C   ALA B 168      -6.438 130.219 -10.805  1.00 16.85           C  
-ATOM   3921  O   ALA B 168      -5.492 130.580 -11.511  1.00 17.18           O  
-ATOM   3922  CB  ALA B 168      -6.669 130.836  -8.368  1.00 16.81           C  
-ATOM   3923  N   TYR B 169      -6.988 129.012 -10.902  1.00 15.66           N  
-ATOM   3924  CA  TYR B 169      -6.470 127.998 -11.821  1.00 16.03           C  
-ATOM   3925  C   TYR B 169      -6.500 128.464 -13.265  1.00 18.07           C  
-ATOM   3926  O   TYR B 169      -5.534 128.278 -14.013  1.00 18.74           O  
-ATOM   3927  CB  TYR B 169      -7.302 126.721 -11.749  1.00 14.49           C  
-ATOM   3928  CG  TYR B 169      -7.292 125.992 -10.429  1.00 15.75           C  
-ATOM   3929  CD1 TYR B 169      -8.421 125.300 -10.008  1.00 14.92           C  
-ATOM   3930  CD2 TYR B 169      -6.157 125.972  -9.606  1.00 14.96           C  
-ATOM   3931  CE1 TYR B 169      -8.435 124.604  -8.812  1.00 16.40           C  
-ATOM   3932  CE2 TYR B 169      -6.160 125.274  -8.389  1.00 13.72           C  
-ATOM   3933  CZ  TYR B 169      -7.306 124.590  -8.007  1.00 15.90           C  
-ATOM   3934  OH  TYR B 169      -7.357 123.861  -6.842  1.00 15.93           O  
-ATOM   3935  N   ASP B 170      -7.620 129.064 -13.655  1.00 17.54           N  
-ATOM   3936  CA  ASP B 170      -7.808 129.514 -15.024  1.00 18.92           C  
-ATOM   3937  C   ASP B 170      -6.948 130.668 -15.510  1.00 18.58           C  
-ATOM   3938  O   ASP B 170      -6.860 130.912 -16.715  1.00 17.75           O  
-ATOM   3939  CB  ASP B 170      -9.283 129.779 -15.288  1.00 20.92           C  
-ATOM   3940  CG  ASP B 170     -10.114 128.505 -15.241  1.00 25.50           C  
-ATOM   3941  OD1 ASP B 170      -9.543 127.403 -15.450  1.00 24.94           O  
-ATOM   3942  OD2 ASP B 170     -11.338 128.603 -14.981  1.00 30.15           O  
-ATOM   3943  N   ILE B 171      -6.313 131.377 -14.589  1.00 17.16           N  
-ATOM   3944  CA  ILE B 171      -5.446 132.469 -14.977  1.00 16.85           C  
-ATOM   3945  C   ILE B 171      -4.244 131.930 -15.760  1.00 16.56           C  
-ATOM   3946  O   ILE B 171      -3.786 132.547 -16.714  1.00 16.05           O  
-ATOM   3947  CB  ILE B 171      -4.998 133.253 -13.739  1.00 17.44           C  
-ATOM   3948  CG1 ILE B 171      -6.123 134.208 -13.340  1.00 21.13           C  
-ATOM   3949  CG2 ILE B 171      -3.694 134.017 -13.988  1.00 17.34           C  
-ATOM   3950  CD1 ILE B 171      -5.973 134.723 -11.968  1.00 24.56           C  
-ATOM   3951  N   ILE B 172      -3.787 130.735 -15.412  1.00 15.01           N  
-ATOM   3952  CA  ILE B 172      -2.624 130.178 -16.079  1.00 14.56           C  
-ATOM   3953  C   ILE B 172      -2.873 129.859 -17.549  1.00 14.36           C  
-ATOM   3954  O   ILE B 172      -3.789 129.124 -17.884  1.00 15.91           O  
-ATOM   3955  CB  ILE B 172      -2.120 128.909 -15.341  1.00 15.12           C  
-ATOM   3956  CG1 ILE B 172      -1.819 129.255 -13.873  1.00 15.33           C  
-ATOM   3957  CG2 ILE B 172      -0.861 128.345 -16.028  1.00 14.00           C  
-ATOM   3958  CD1 ILE B 172      -1.634 128.038 -12.961  1.00 12.12           C  
-ATOM   3959  N   ASN B 173      -2.068 130.436 -18.426  1.00 13.34           N  
-ATOM   3960  CA  ASN B 173      -2.171 130.143 -19.847  1.00 13.37           C  
-ATOM   3961  C   ASN B 173      -1.250 128.924 -20.024  1.00 12.69           C  
-ATOM   3962  O   ASN B 173      -0.021 129.045 -20.135  1.00 13.06           O  
-ATOM   3963  CB  ASN B 173      -1.694 131.330 -20.677  1.00 13.43           C  
-ATOM   3964  CG  ASN B 173      -1.811 131.075 -22.165  1.00 16.39           C  
-ATOM   3965  OD1 ASN B 173      -1.754 129.928 -22.619  1.00 15.68           O  
-ATOM   3966  ND2 ASN B 173      -1.930 132.141 -22.937  1.00 18.32           N  
-ATOM   3967  N   ARG B 174      -1.860 127.746 -20.003  1.00 12.14           N  
-ATOM   3968  CA  ARG B 174      -1.141 126.482 -20.090  1.00 11.61           C  
-ATOM   3969  C   ARG B 174      -0.421 126.214 -21.399  1.00 12.63           C  
-ATOM   3970  O   ARG B 174       0.695 125.687 -21.401  1.00 13.63           O  
-ATOM   3971  CB  ARG B 174      -2.092 125.334 -19.750  1.00 11.12           C  
-ATOM   3972  CG  ARG B 174      -2.568 125.366 -18.293  1.00 11.09           C  
-ATOM   3973  CD  ARG B 174      -3.669 124.353 -18.007  1.00 12.72           C  
-ATOM   3974  NE  ARG B 174      -3.214 122.973 -18.130  1.00 13.27           N  
-ATOM   3975  CZ  ARG B 174      -3.501 122.165 -19.149  1.00 15.29           C  
-ATOM   3976  NH1 ARG B 174      -4.255 122.594 -20.163  1.00 13.92           N  
-ATOM   3977  NH2 ARG B 174      -3.030 120.918 -19.155  1.00 13.03           N  
-ATOM   3978  N   GLU B 175      -1.052 126.592 -22.512  1.00 15.02           N  
-ATOM   3979  CA  GLU B 175      -0.474 126.386 -23.840  1.00 15.64           C  
-ATOM   3980  C   GLU B 175       0.824 127.163 -23.960  1.00 15.30           C  
-ATOM   3981  O   GLU B 175       1.833 126.616 -24.388  1.00 15.83           O  
-ATOM   3982  CB  GLU B 175      -1.456 126.839 -24.935  1.00 19.87           C  
-ATOM   3983  CG  GLU B 175      -2.716 125.958 -25.092  1.00 24.34           C  
-ATOM   3984  CD  GLU B 175      -3.818 126.189 -24.031  1.00 27.13           C  
-ATOM   3985  OE1 GLU B 175      -3.777 127.192 -23.278  1.00 26.22           O  
-ATOM   3986  OE2 GLU B 175      -4.757 125.361 -23.971  1.00 28.69           O  
-ATOM   3987  N   LYS B 176       0.800 128.435 -23.560  1.00 13.56           N  
-ATOM   3988  CA  LYS B 176       1.985 129.276 -23.630  1.00 13.62           C  
-ATOM   3989  C   LYS B 176       2.997 128.875 -22.564  1.00 13.10           C  
-ATOM   3990  O   LYS B 176       4.199 128.972 -22.792  1.00 13.21           O  
-ATOM   3991  CB  LYS B 176       1.623 130.760 -23.505  1.00 14.63           C  
-ATOM   3992  CG  LYS B 176       0.712 131.282 -24.630  1.00 18.92           C  
-ATOM   3993  CD  LYS B 176       1.282 131.057 -26.046  1.00 22.21           C  
-ATOM   3994  CE  LYS B 176       2.567 131.845 -26.291  1.00 26.37           C  
-ATOM   3995  NZ  LYS B 176       2.967 131.875 -27.745  1.00 27.34           N  
-ATOM   3996  N   LEU B 177       2.526 128.421 -21.402  1.00 12.71           N  
-ATOM   3997  CA  LEU B 177       3.452 127.987 -20.355  1.00 12.23           C  
-ATOM   3998  C   LEU B 177       4.298 126.824 -20.895  1.00 11.34           C  
-ATOM   3999  O   LEU B 177       5.516 126.835 -20.753  1.00 13.05           O  
-ATOM   4000  CB  LEU B 177       2.706 127.558 -19.078  1.00 11.32           C  
-ATOM   4001  CG  LEU B 177       3.573 127.059 -17.903  1.00 12.00           C  
-ATOM   4002  CD1 LEU B 177       4.631 128.099 -17.528  1.00  9.38           C  
-ATOM   4003  CD2 LEU B 177       2.693 126.708 -16.700  1.00 10.21           C  
-ATOM   4004  N   LEU B 178       3.669 125.842 -21.542  1.00 11.69           N  
-ATOM   4005  CA  LEU B 178       4.427 124.709 -22.073  1.00 11.72           C  
-ATOM   4006  C   LEU B 178       5.419 125.162 -23.144  1.00 12.28           C  
-ATOM   4007  O   LEU B 178       6.568 124.718 -23.160  1.00 14.03           O  
-ATOM   4008  CB  LEU B 178       3.495 123.618 -22.618  1.00 12.22           C  
-ATOM   4009  CG  LEU B 178       4.171 122.328 -23.114  1.00 12.85           C  
-ATOM   4010  CD1 LEU B 178       5.168 121.783 -22.078  1.00 10.95           C  
-ATOM   4011  CD2 LEU B 178       3.100 121.298 -23.427  1.00 11.76           C  
-ATOM   4012  N   GLN B 179       4.988 126.056 -24.028  1.00 12.16           N  
-ATOM   4013  CA  GLN B 179       5.872 126.567 -25.069  1.00 13.25           C  
-ATOM   4014  C   GLN B 179       7.061 127.286 -24.431  1.00 13.24           C  
-ATOM   4015  O   GLN B 179       8.209 127.139 -24.870  1.00 12.29           O  
-ATOM   4016  CB  GLN B 179       5.106 127.524 -25.974  1.00 15.71           C  
-ATOM   4017  CG  GLN B 179       4.108 126.806 -26.871  1.00 20.23           C  
-ATOM   4018  CD  GLN B 179       3.313 127.754 -27.745  1.00 24.69           C  
-ATOM   4019  OE1 GLN B 179       3.746 128.875 -28.033  1.00 24.69           O  
-ATOM   4020  NE2 GLN B 179       2.134 127.316 -28.157  1.00 26.73           N  
-ATOM   4021  N   TYR B 180       6.778 128.056 -23.384  1.00 11.66           N  
-ATOM   4022  CA  TYR B 180       7.807 128.773 -22.656  1.00 11.25           C  
-ATOM   4023  C   TYR B 180       8.832 127.777 -22.070  1.00 11.27           C  
-ATOM   4024  O   TYR B 180      10.041 127.971 -22.218  1.00 11.06           O  
-ATOM   4025  CB  TYR B 180       7.175 129.609 -21.540  1.00 12.53           C  
-ATOM   4026  CG  TYR B 180       8.197 130.372 -20.735  1.00 13.44           C  
-ATOM   4027  CD1 TYR B 180       9.029 131.297 -21.354  1.00 14.56           C  
-ATOM   4028  CD2 TYR B 180       8.365 130.135 -19.367  1.00 14.38           C  
-ATOM   4029  CE1 TYR B 180      10.015 131.969 -20.643  1.00 17.30           C  
-ATOM   4030  CE2 TYR B 180       9.350 130.809 -18.635  1.00 15.65           C  
-ATOM   4031  CZ  TYR B 180      10.175 131.723 -19.283  1.00 17.08           C  
-ATOM   4032  OH  TYR B 180      11.171 132.401 -18.611  1.00 19.32           O  
-ATOM   4033  N   LEU B 181       8.364 126.699 -21.437  1.00 10.28           N  
-ATOM   4034  CA  LEU B 181       9.296 125.715 -20.887  1.00 10.92           C  
-ATOM   4035  C   LEU B 181      10.190 125.161 -22.004  1.00 12.09           C  
-ATOM   4036  O   LEU B 181      11.410 125.049 -21.834  1.00 13.19           O  
-ATOM   4037  CB  LEU B 181       8.552 124.576 -20.172  1.00 10.95           C  
-ATOM   4038  CG  LEU B 181       7.751 124.961 -18.922  1.00 13.32           C  
-ATOM   4039  CD1 LEU B 181       7.198 123.692 -18.279  1.00 11.77           C  
-ATOM   4040  CD2 LEU B 181       8.636 125.734 -17.936  1.00 11.68           C  
-ATOM   4041  N   TYR B 182       9.594 124.855 -23.158  1.00 11.92           N  
-ATOM   4042  CA  TYR B 182      10.356 124.343 -24.300  1.00 12.35           C  
-ATOM   4043  C   TYR B 182      11.418 125.354 -24.722  1.00 10.98           C  
-ATOM   4044  O   TYR B 182      12.538 124.968 -25.062  1.00 12.75           O  
-ATOM   4045  CB  TYR B 182       9.433 124.065 -25.505  1.00 14.09           C  
-ATOM   4046  CG  TYR B 182       8.848 122.670 -25.570  1.00 16.48           C  
-ATOM   4047  CD1 TYR B 182       8.202 122.104 -24.469  1.00 16.39           C  
-ATOM   4048  CD2 TYR B 182       8.947 121.908 -26.741  1.00 16.56           C  
-ATOM   4049  CE1 TYR B 182       7.673 120.812 -24.528  1.00 17.23           C  
-ATOM   4050  CE2 TYR B 182       8.416 120.617 -26.814  1.00 16.81           C  
-ATOM   4051  CZ  TYR B 182       7.785 120.074 -25.701  1.00 17.68           C  
-ATOM   4052  OH  TYR B 182       7.278 118.796 -25.754  1.00 15.63           O  
-ATOM   4053  N   SER B 183      11.076 126.643 -24.671  1.00 11.37           N  
-ATOM   4054  CA  SER B 183      11.996 127.707 -25.080  1.00 11.63           C  
-ATOM   4055  C   SER B 183      13.214 127.851 -24.171  1.00 11.11           C  
-ATOM   4056  O   SER B 183      14.171 128.532 -24.522  1.00 11.17           O  
-ATOM   4057  CB  SER B 183      11.259 129.054 -25.191  1.00 11.19           C  
-ATOM   4058  OG  SER B 183      11.116 129.684 -23.926  1.00 12.04           O  
-ATOM   4059  N   LEU B 184      13.175 127.196 -23.014  1.00 12.07           N  
-ATOM   4060  CA  LEU B 184      14.272 127.239 -22.036  1.00 11.53           C  
-ATOM   4061  C   LEU B 184      15.062 125.924 -21.933  1.00 11.07           C  
-ATOM   4062  O   LEU B 184      16.151 125.898 -21.358  1.00 12.69           O  
-ATOM   4063  CB  LEU B 184      13.707 127.577 -20.643  1.00 11.33           C  
-ATOM   4064  CG  LEU B 184      12.919 128.884 -20.494  1.00 11.76           C  
-ATOM   4065  CD1 LEU B 184      12.397 128.997 -19.069  1.00 12.24           C  
-ATOM   4066  CD2 LEU B 184      13.818 130.072 -20.838  1.00 10.45           C  
-ATOM   4067  N   LYS B 185      14.518 124.851 -22.501  1.00 11.54           N  
-ATOM   4068  CA  LYS B 185      15.119 123.519 -22.443  1.00 11.83           C  
-ATOM   4069  C   LYS B 185      16.407 123.403 -23.248  1.00 13.69           C  
-ATOM   4070  O   LYS B 185      16.426 123.722 -24.436  1.00 13.98           O  
-ATOM   4071  CB  LYS B 185      14.108 122.477 -22.924  1.00 12.28           C  
-ATOM   4072  CG  LYS B 185      14.628 121.028 -22.948  1.00 13.50           C  
-ATOM   4073  CD  LYS B 185      14.889 120.518 -21.530  1.00 16.12           C  
-ATOM   4074  CE  LYS B 185      15.509 119.115 -21.506  1.00 16.83           C  
-ATOM   4075  NZ  LYS B 185      14.661 118.119 -22.172  1.00 16.02           N  
-ATOM   4076  N   GLN B 186      17.471 122.948 -22.587  1.00 13.37           N  
-ATOM   4077  CA  GLN B 186      18.788 122.763 -23.199  1.00 16.19           C  
-ATOM   4078  C   GLN B 186      18.970 121.297 -23.609  1.00 17.68           C  
-ATOM   4079  O   GLN B 186      18.423 120.394 -22.978  1.00 16.73           O  
-ATOM   4080  CB  GLN B 186      19.892 123.148 -22.207  1.00 16.45           C  
-ATOM   4081  CG  GLN B 186      19.795 124.577 -21.692  1.00 18.03           C  
-ATOM   4082  CD  GLN B 186      19.978 125.585 -22.798  1.00 22.69           C  
-ATOM   4083  OE1 GLN B 186      21.101 125.819 -23.253  1.00 23.39           O  
-ATOM   4084  NE2 GLN B 186      18.872 126.180 -23.257  1.00 22.27           N  
-ATOM   4085  N   PRO B 187      19.785 121.035 -24.642  1.00 20.40           N  
-ATOM   4086  CA  PRO B 187      19.974 119.644 -25.062  1.00 20.37           C  
-ATOM   4087  C   PRO B 187      20.604 118.720 -24.005  1.00 20.22           C  
-ATOM   4088  O   PRO B 187      20.377 117.516 -24.038  1.00 20.94           O  
-ATOM   4089  CB  PRO B 187      20.816 119.779 -26.341  1.00 22.80           C  
-ATOM   4090  CG  PRO B 187      21.563 121.058 -26.147  1.00 24.07           C  
-ATOM   4091  CD  PRO B 187      20.526 121.966 -25.517  1.00 22.13           C  
-ATOM   4092  N   ASP B 188      21.354 119.273 -23.052  1.00 18.45           N  
-ATOM   4093  CA  ASP B 188      21.962 118.438 -22.009  1.00 17.69           C  
-ATOM   4094  C   ASP B 188      20.996 118.079 -20.868  1.00 17.28           C  
-ATOM   4095  O   ASP B 188      21.404 117.467 -19.874  1.00 17.02           O  
-ATOM   4096  CB  ASP B 188      23.244 119.082 -21.451  1.00 17.27           C  
-ATOM   4097  CG  ASP B 188      22.989 120.343 -20.639  1.00 18.90           C  
-ATOM   4098  OD1 ASP B 188      23.977 120.894 -20.111  1.00 19.28           O  
-ATOM   4099  OD2 ASP B 188      21.828 120.798 -20.521  1.00 18.80           O  
-ATOM   4100  N   GLY B 189      19.737 118.492 -21.003  1.00 14.28           N  
-ATOM   4101  CA  GLY B 189      18.743 118.202 -19.985  1.00 14.98           C  
-ATOM   4102  C   GLY B 189      18.441 119.338 -19.016  1.00 13.28           C  
-ATOM   4103  O   GLY B 189      17.441 119.285 -18.300  1.00 13.56           O  
-ATOM   4104  N   SER B 190      19.287 120.362 -18.990  1.00 12.44           N  
-ATOM   4105  CA  SER B 190      19.082 121.496 -18.089  1.00 11.54           C  
-ATOM   4106  C   SER B 190      18.105 122.508 -18.689  1.00 12.95           C  
-ATOM   4107  O   SER B 190      17.694 122.374 -19.850  1.00 13.53           O  
-ATOM   4108  CB  SER B 190      20.419 122.181 -17.800  1.00 11.66           C  
-ATOM   4109  OG  SER B 190      20.970 122.737 -18.986  1.00 13.53           O  
-ATOM   4110  N   PHE B 191      17.732 123.512 -17.896  1.00 11.54           N  
-ATOM   4111  CA  PHE B 191      16.827 124.575 -18.328  1.00 11.05           C  
-ATOM   4112  C   PHE B 191      17.464 125.898 -17.967  1.00 11.57           C  
-ATOM   4113  O   PHE B 191      18.150 125.998 -16.947  1.00 11.13           O  
-ATOM   4114  CB  PHE B 191      15.482 124.524 -17.575  1.00  9.82           C  
-ATOM   4115  CG  PHE B 191      14.544 123.446 -18.045  1.00 10.52           C  
-ATOM   4116  CD1 PHE B 191      14.686 122.132 -17.601  1.00 10.61           C  
-ATOM   4117  CD2 PHE B 191      13.501 123.750 -18.917  1.00 10.36           C  
-ATOM   4118  CE1 PHE B 191      13.790 121.127 -18.024  1.00 12.86           C  
-ATOM   4119  CE2 PHE B 191      12.602 122.758 -19.345  1.00 11.33           C  
-ATOM   4120  CZ  PHE B 191      12.747 121.448 -18.899  1.00 12.02           C  
-ATOM   4121  N   LEU B 192      17.267 126.905 -18.815  1.00 10.75           N  
-ATOM   4122  CA  LEU B 192      17.748 128.251 -18.516  1.00 10.55           C  
-ATOM   4123  C   LEU B 192      16.715 128.785 -17.515  1.00 11.28           C  
-ATOM   4124  O   LEU B 192      15.567 128.336 -17.528  1.00 11.01           O  
-ATOM   4125  CB  LEU B 192      17.669 129.139 -19.758  1.00 11.21           C  
-ATOM   4126  CG  LEU B 192      18.490 128.790 -20.998  1.00 13.38           C  
-ATOM   4127  CD1 LEU B 192      18.268 129.886 -22.041  1.00 12.58           C  
-ATOM   4128  CD2 LEU B 192      19.960 128.679 -20.633  1.00 13.46           C  
-ATOM   4129  N   MET B 193      17.096 129.726 -16.656  1.00 11.57           N  
-ATOM   4130  CA  MET B 193      16.130 130.308 -15.716  1.00 13.33           C  
-ATOM   4131  C   MET B 193      15.172 131.240 -16.467  1.00 14.77           C  
-ATOM   4132  O   MET B 193      14.041 131.471 -16.028  1.00 14.79           O  
-ATOM   4133  CB  MET B 193      16.834 131.095 -14.606  1.00 14.90           C  
-ATOM   4134  CG  MET B 193      17.487 130.239 -13.528  1.00 15.96           C  
-ATOM   4135  SD  MET B 193      16.340 129.142 -12.651  1.00 20.64           S  
-ATOM   4136  CE  MET B 193      15.141 130.233 -12.105  1.00 15.61           C  
-ATOM   4137  N   HIS B 194      15.659 131.814 -17.570  1.00 13.55           N  
-ATOM   4138  CA  HIS B 194      14.892 132.717 -18.428  1.00 12.66           C  
-ATOM   4139  C   HIS B 194      15.654 132.851 -19.740  1.00 12.65           C  
-ATOM   4140  O   HIS B 194      16.807 132.419 -19.844  1.00 11.86           O  
-ATOM   4141  CB  HIS B 194      14.689 134.096 -17.773  1.00 12.47           C  
-ATOM   4142  CG  HIS B 194      15.955 134.873 -17.559  1.00 14.09           C  
-ATOM   4143  ND1 HIS B 194      16.348 135.900 -18.392  1.00 16.83           N  
-ATOM   4144  CD2 HIS B 194      16.892 134.802 -16.583  1.00 15.70           C  
-ATOM   4145  CE1 HIS B 194      17.471 136.430 -17.938  1.00 16.91           C  
-ATOM   4146  NE2 HIS B 194      17.822 135.782 -16.841  1.00 17.16           N  
-ATOM   4147  N   VAL B 195      15.020 133.446 -20.741  1.00 14.93           N  
-ATOM   4148  CA  VAL B 195      15.654 133.614 -22.057  1.00 16.44           C  
-ATOM   4149  C   VAL B 195      16.952 134.395 -21.924  1.00 15.65           C  
-ATOM   4150  O   VAL B 195      16.985 135.457 -21.307  1.00 16.25           O  
-ATOM   4151  CB  VAL B 195      14.692 134.307 -23.057  1.00 16.39           C  
-ATOM   4152  CG1 VAL B 195      15.371 134.496 -24.398  1.00 16.75           C  
-ATOM   4153  CG2 VAL B 195      13.426 133.446 -23.222  1.00 17.76           C  
-ATOM   4154  N   GLY B 196      18.033 133.825 -22.445  1.00 16.91           N  
-ATOM   4155  CA  GLY B 196      19.327 134.463 -22.335  1.00 17.91           C  
-ATOM   4156  C   GLY B 196      19.819 134.471 -20.892  1.00 19.77           C  
-ATOM   4157  O   GLY B 196      20.695 135.266 -20.538  1.00 21.57           O  
-ATOM   4158  N   GLY B 197      19.278 133.577 -20.061  1.00 17.52           N  
-ATOM   4159  CA  GLY B 197      19.657 133.523 -18.661  1.00 15.24           C  
-ATOM   4160  C   GLY B 197      20.587 132.390 -18.272  1.00 15.81           C  
-ATOM   4161  O   GLY B 197      21.016 131.606 -19.106  1.00 15.37           O  
-ATOM   4162  N   GLU B 198      20.867 132.305 -16.975  1.00 16.55           N  
-ATOM   4163  CA  GLU B 198      21.768 131.314 -16.387  1.00 16.13           C  
-ATOM   4164  C   GLU B 198      21.081 129.972 -16.117  1.00 16.61           C  
-ATOM   4165  O   GLU B 198      19.852 129.901 -16.003  1.00 14.69           O  
-ATOM   4166  CB  GLU B 198      22.345 131.871 -15.058  1.00 17.87           C  
-ATOM   4167  CG  GLU B 198      21.403 131.855 -13.790  1.00 19.22           C  
-ATOM   4168  CD  GLU B 198      20.363 133.009 -13.707  1.00 24.72           C  
-ATOM   4169  OE1 GLU B 198      20.175 133.773 -14.690  1.00 25.32           O  
-ATOM   4170  OE2 GLU B 198      19.708 133.146 -12.640  1.00 22.61           O  
-ATOM   4171  N   VAL B 199      21.858 128.897 -16.066  1.00 16.29           N  
-ATOM   4172  CA  VAL B 199      21.267 127.607 -15.734  1.00 16.26           C  
-ATOM   4173  C   VAL B 199      21.872 127.067 -14.437  1.00 15.01           C  
-ATOM   4174  O   VAL B 199      23.061 127.276 -14.154  1.00 14.59           O  
-ATOM   4175  CB  VAL B 199      21.355 126.540 -16.887  1.00 18.59           C  
-ATOM   4176  CG1 VAL B 199      21.885 127.143 -18.148  1.00 19.46           C  
-ATOM   4177  CG2 VAL B 199      22.128 125.295 -16.463  1.00 14.65           C  
-ATOM   4178  N   ASP B 200      21.003 126.496 -13.606  1.00 13.54           N  
-ATOM   4179  CA  ASP B 200      21.377 125.843 -12.358  1.00 12.28           C  
-ATOM   4180  C   ASP B 200      20.198 124.958 -11.968  1.00 11.81           C  
-ATOM   4181  O   ASP B 200      19.143 125.037 -12.596  1.00 11.86           O  
-ATOM   4182  CB  ASP B 200      21.842 126.809 -11.247  1.00 11.93           C  
-ATOM   4183  CG  ASP B 200      20.784 127.796 -10.819  1.00 14.19           C  
-ATOM   4184  OD1 ASP B 200      19.734 127.368 -10.307  1.00 12.67           O  
-ATOM   4185  OD2 ASP B 200      21.027 129.017 -10.951  1.00 14.81           O  
-ATOM   4186  N   VAL B 201      20.374 124.092 -10.977  1.00 11.85           N  
-ATOM   4187  CA  VAL B 201      19.311 123.154 -10.593  1.00 12.73           C  
-ATOM   4188  C   VAL B 201      17.961 123.783 -10.243  1.00 11.04           C  
-ATOM   4189  O   VAL B 201      16.933 123.115 -10.349  1.00 10.41           O  
-ATOM   4190  CB  VAL B 201      19.742 122.189  -9.457  1.00 13.90           C  
-ATOM   4191  CG1 VAL B 201      18.869 120.952  -9.473  1.00 16.16           C  
-ATOM   4192  CG2 VAL B 201      21.168 121.753  -9.645  1.00 21.60           C  
-ATOM   4193  N   ARG B 202      17.944 125.053  -9.838  1.00 10.55           N  
-ATOM   4194  CA  ARG B 202      16.669 125.699  -9.525  1.00  9.63           C  
-ATOM   4195  C   ARG B 202      15.711 125.637 -10.714  1.00 11.10           C  
-ATOM   4196  O   ARG B 202      14.525 125.348 -10.532  1.00 11.37           O  
-ATOM   4197  CB  ARG B 202      16.856 127.164  -9.134  1.00  9.51           C  
-ATOM   4198  CG  ARG B 202      17.565 127.395  -7.813  1.00 10.00           C  
-ATOM   4199  CD  ARG B 202      17.819 128.889  -7.613  1.00 12.58           C  
-ATOM   4200  NE  ARG B 202      18.573 129.443  -8.737  1.00 14.18           N  
-ATOM   4201  CZ  ARG B 202      18.428 130.674  -9.229  1.00 15.34           C  
-ATOM   4202  NH1 ARG B 202      17.563 131.539  -8.695  1.00 15.00           N  
-ATOM   4203  NH2 ARG B 202      19.085 131.004 -10.330  1.00 14.25           N  
-ATOM   4204  N   SER B 203      16.227 125.838 -11.934  1.00 10.05           N  
-ATOM   4205  CA  SER B 203      15.372 125.841 -13.124  1.00 10.22           C  
-ATOM   4206  C   SER B 203      14.642 124.517 -13.351  1.00  9.27           C  
-ATOM   4207  O   SER B 203      13.448 124.496 -13.675  1.00  9.72           O  
-ATOM   4208  CB  SER B 203      16.179 126.230 -14.366  1.00  9.64           C  
-ATOM   4209  OG  SER B 203      17.139 125.243 -14.664  1.00 12.40           O  
-ATOM   4210  N   ALA B 204      15.350 123.412 -13.138  1.00  9.60           N  
-ATOM   4211  CA  ALA B 204      14.768 122.095 -13.331  1.00  9.84           C  
-ATOM   4212  C   ALA B 204      13.603 121.883 -12.361  1.00 11.00           C  
-ATOM   4213  O   ALA B 204      12.547 121.349 -12.736  1.00 10.72           O  
-ATOM   4214  CB  ALA B 204      15.831 121.021 -13.152  1.00  9.15           C  
-ATOM   4215  N   TYR B 205      13.787 122.319 -11.118  1.00 10.08           N  
-ATOM   4216  CA  TYR B 205      12.730 122.172 -10.119  1.00 10.10           C  
-ATOM   4217  C   TYR B 205      11.550 123.088 -10.452  1.00  9.07           C  
-ATOM   4218  O   TYR B 205      10.399 122.667 -10.383  1.00  9.37           O  
-ATOM   4219  CB  TYR B 205      13.266 122.471  -8.712  1.00  9.71           C  
-ATOM   4220  CG  TYR B 205      12.171 122.573  -7.673  1.00 10.27           C  
-ATOM   4221  CD1 TYR B 205      11.388 121.455  -7.326  1.00  8.84           C  
-ATOM   4222  CD2 TYR B 205      11.884 123.802  -7.063  1.00  8.90           C  
-ATOM   4223  CE1 TYR B 205      10.341 121.571  -6.395  1.00 10.47           C  
-ATOM   4224  CE2 TYR B 205      10.849 123.926  -6.135  1.00  8.63           C  
-ATOM   4225  CZ  TYR B 205      10.087 122.817  -5.809  1.00  9.31           C  
-ATOM   4226  OH  TYR B 205       9.081 122.968  -4.901  1.00 10.14           O  
-ATOM   4227  N   CYS B 206      11.830 124.342 -10.805  1.00  9.49           N  
-ATOM   4228  CA  CYS B 206      10.760 125.280 -11.150  1.00  9.26           C  
-ATOM   4229  C   CYS B 206       9.930 124.722 -12.313  1.00 10.27           C  
-ATOM   4230  O   CYS B 206       8.688 124.716 -12.258  1.00 10.56           O  
-ATOM   4231  CB  CYS B 206      11.328 126.651 -11.517  1.00  8.38           C  
-ATOM   4232  SG  CYS B 206      11.955 127.587 -10.099  1.00 11.93           S  
-ATOM   4233  N   ALA B 207      10.614 124.220 -13.340  1.00  9.94           N  
-ATOM   4234  CA  ALA B 207       9.945 123.643 -14.512  1.00 10.01           C  
-ATOM   4235  C   ALA B 207       9.118 122.404 -14.147  1.00 10.53           C  
-ATOM   4236  O   ALA B 207       7.928 122.314 -14.490  1.00  9.48           O  
-ATOM   4237  CB  ALA B 207      10.977 123.297 -15.590  1.00  9.02           C  
-ATOM   4238  N   ALA B 208       9.735 121.459 -13.433  1.00 10.66           N  
-ATOM   4239  CA  ALA B 208       9.048 120.227 -13.038  1.00  9.47           C  
-ATOM   4240  C   ALA B 208       7.854 120.512 -12.138  1.00  9.95           C  
-ATOM   4241  O   ALA B 208       6.796 119.898 -12.298  1.00 10.57           O  
-ATOM   4242  CB  ALA B 208      10.022 119.249 -12.352  1.00 10.25           C  
-ATOM   4243  N   SER B 209       8.000 121.469 -11.224  1.00  9.43           N  
-ATOM   4244  CA  SER B 209       6.913 121.817 -10.314  1.00 10.22           C  
-ATOM   4245  C   SER B 209       5.693 122.353 -11.066  1.00 11.17           C  
-ATOM   4246  O   SER B 209       4.587 121.799 -10.961  1.00 10.35           O  
-ATOM   4247  CB  SER B 209       7.379 122.846  -9.282  1.00  9.60           C  
-ATOM   4248  OG  SER B 209       6.333 123.184  -8.381  1.00 10.37           O  
-ATOM   4249  N   VAL B 210       5.885 123.416 -11.844  1.00 10.27           N  
-ATOM   4250  CA  VAL B 210       4.754 123.995 -12.565  1.00 10.73           C  
-ATOM   4251  C   VAL B 210       4.164 123.048 -13.610  1.00 10.05           C  
-ATOM   4252  O   VAL B 210       2.946 122.974 -13.758  1.00 12.13           O  
-ATOM   4253  CB  VAL B 210       5.096 125.388 -13.212  1.00  9.93           C  
-ATOM   4254  CG1 VAL B 210       5.648 126.328 -12.160  1.00 10.57           C  
-ATOM   4255  CG2 VAL B 210       6.072 125.247 -14.362  1.00  9.31           C  
-ATOM   4256  N   ALA B 211       5.017 122.290 -14.296  1.00 10.84           N  
-ATOM   4257  CA  ALA B 211       4.552 121.373 -15.331  1.00 11.35           C  
-ATOM   4258  C   ALA B 211       3.693 120.237 -14.777  1.00 12.67           C  
-ATOM   4259  O   ALA B 211       2.665 119.884 -15.365  1.00 13.15           O  
-ATOM   4260  CB  ALA B 211       5.736 120.813 -16.125  1.00 11.35           C  
-ATOM   4261  N   SER B 212       4.103 119.655 -13.654  1.00 12.13           N  
-ATOM   4262  CA  SER B 212       3.330 118.568 -13.058  1.00 12.51           C  
-ATOM   4263  C   SER B 212       2.022 119.096 -12.473  1.00 12.45           C  
-ATOM   4264  O   SER B 212       0.968 118.514 -12.718  1.00 13.46           O  
-ATOM   4265  CB  SER B 212       4.136 117.837 -11.980  1.00 15.20           C  
-ATOM   4266  OG  SER B 212       4.555 118.730 -10.968  1.00 17.29           O  
-ATOM   4267  N   LEU B 213       2.073 120.205 -11.732  1.00 11.46           N  
-ATOM   4268  CA  LEU B 213       0.853 120.756 -11.163  1.00 12.49           C  
-ATOM   4269  C   LEU B 213      -0.188 121.105 -12.231  1.00 13.13           C  
-ATOM   4270  O   LEU B 213      -1.379 120.825 -12.054  1.00 13.16           O  
-ATOM   4271  CB  LEU B 213       1.143 121.997 -10.319  1.00 12.88           C  
-ATOM   4272  CG  LEU B 213       1.791 121.809  -8.935  1.00 11.93           C  
-ATOM   4273  CD1 LEU B 213       2.163 123.192  -8.391  1.00 11.23           C  
-ATOM   4274  CD2 LEU B 213       0.854 121.064  -7.964  1.00 10.08           C  
-ATOM   4275  N   THR B 214       0.259 121.684 -13.344  1.00 11.61           N  
-ATOM   4276  CA  THR B 214      -0.674 122.094 -14.397  1.00 11.99           C  
-ATOM   4277  C   THR B 214      -0.929 121.056 -15.480  1.00 12.10           C  
-ATOM   4278  O   THR B 214      -1.615 121.342 -16.461  1.00 12.98           O  
-ATOM   4279  CB  THR B 214      -0.258 123.433 -15.058  1.00 10.25           C  
-ATOM   4280  OG1 THR B 214       0.996 123.275 -15.727  1.00 12.03           O  
-ATOM   4281  CG2 THR B 214      -0.122 124.530 -14.008  1.00 10.37           C  
-ATOM   4282  N   ASN B 215      -0.385 119.855 -15.302  1.00 12.44           N  
-ATOM   4283  CA  ASN B 215      -0.574 118.766 -16.267  1.00 13.28           C  
-ATOM   4284  C   ASN B 215      -0.147 119.137 -17.697  1.00 14.32           C  
-ATOM   4285  O   ASN B 215      -0.935 119.019 -18.642  1.00 13.00           O  
-ATOM   4286  CB  ASN B 215      -2.045 118.316 -16.265  1.00 12.58           C  
-ATOM   4287  CG  ASN B 215      -2.291 117.096 -17.146  1.00 14.60           C  
-ATOM   4288  OD1 ASN B 215      -1.433 116.230 -17.286  1.00 14.26           O  
-ATOM   4289  ND2 ASN B 215      -3.482 117.015 -17.720  1.00 15.36           N  
-ATOM   4290  N   ILE B 216       1.083 119.620 -17.853  1.00 14.09           N  
-ATOM   4291  CA  ILE B 216       1.575 119.968 -19.184  1.00 13.85           C  
-ATOM   4292  C   ILE B 216       2.848 119.207 -19.509  1.00 14.63           C  
-ATOM   4293  O   ILE B 216       3.606 119.613 -20.387  1.00 14.21           O  
-ATOM   4294  CB  ILE B 216       1.839 121.479 -19.341  1.00 12.96           C  
-ATOM   4295  CG1 ILE B 216       2.861 121.955 -18.310  1.00 12.28           C  
-ATOM   4296  CG2 ILE B 216       0.539 122.253 -19.208  1.00 12.39           C  
-ATOM   4297  CD1 ILE B 216       3.177 123.436 -18.405  1.00 10.88           C  
-ATOM   4298  N   ILE B 217       3.092 118.105 -18.806  1.00 15.00           N  
-ATOM   4299  CA  ILE B 217       4.297 117.329 -19.063  1.00 16.77           C  
-ATOM   4300  C   ILE B 217       4.176 116.463 -20.311  1.00 19.22           C  
-ATOM   4301  O   ILE B 217       3.211 115.716 -20.452  1.00 20.15           O  
-ATOM   4302  CB  ILE B 217       4.682 116.416 -17.864  1.00 16.58           C  
-ATOM   4303  CG1 ILE B 217       4.994 117.280 -16.641  1.00 16.41           C  
-ATOM   4304  CG2 ILE B 217       5.910 115.546 -18.228  1.00 15.58           C  
-ATOM   4305  CD1 ILE B 217       5.515 116.513 -15.452  1.00 18.79           C  
-ATOM   4306  N   THR B 218       5.126 116.615 -21.232  1.00 18.61           N  
-ATOM   4307  CA  THR B 218       5.171 115.809 -22.443  1.00 19.37           C  
-ATOM   4308  C   THR B 218       6.343 114.840 -22.246  1.00 22.07           C  
-ATOM   4309  O   THR B 218       7.234 115.086 -21.420  1.00 19.25           O  
-ATOM   4310  CB  THR B 218       5.440 116.664 -23.699  1.00 19.73           C  
-ATOM   4311  OG1 THR B 218       6.692 117.342 -23.564  1.00 17.85           O  
-ATOM   4312  CG2 THR B 218       4.331 117.672 -23.910  1.00 20.30           C  
-ATOM   4313  N   PRO B 219       6.386 113.747 -23.031  1.00 25.00           N  
-ATOM   4314  CA  PRO B 219       7.470 112.764 -22.909  1.00 24.35           C  
-ATOM   4315  C   PRO B 219       8.866 113.371 -23.134  1.00 23.32           C  
-ATOM   4316  O   PRO B 219       9.820 112.989 -22.469  1.00 24.91           O  
-ATOM   4317  CB  PRO B 219       7.133 111.755 -24.010  1.00 26.40           C  
-ATOM   4318  CG  PRO B 219       5.648 111.909 -24.198  1.00 26.38           C  
-ATOM   4319  CD  PRO B 219       5.473 113.387 -24.133  1.00 25.05           C  
-ATOM   4320  N   ASP B 220       8.982 114.332 -24.045  1.00 21.36           N  
-ATOM   4321  CA  ASP B 220      10.281 114.943 -24.335  1.00 22.14           C  
-ATOM   4322  C   ASP B 220      10.704 116.110 -23.452  1.00 20.31           C  
-ATOM   4323  O   ASP B 220      11.897 116.362 -23.323  1.00 19.92           O  
-ATOM   4324  CB  ASP B 220      10.395 115.362 -25.817  1.00 26.68           C  
-ATOM   4325  CG  ASP B 220       9.252 116.267 -26.275  1.00 32.75           C  
-ATOM   4326  OD1 ASP B 220       8.063 115.940 -26.023  1.00 36.89           O  
-ATOM   4327  OD2 ASP B 220       9.532 117.293 -26.931  1.00 35.25           O  
-ATOM   4328  N   LEU B 221       9.743 116.815 -22.856  1.00 17.48           N  
-ATOM   4329  CA  LEU B 221      10.037 117.977 -22.017  1.00 15.05           C  
-ATOM   4330  C   LEU B 221      11.204 117.776 -21.059  1.00 14.81           C  
-ATOM   4331  O   LEU B 221      12.119 118.597 -21.010  1.00 13.64           O  
-ATOM   4332  CB  LEU B 221       8.796 118.395 -21.222  1.00 14.20           C  
-ATOM   4333  CG  LEU B 221       8.927 119.597 -20.271  1.00 15.06           C  
-ATOM   4334  CD1 LEU B 221       9.413 120.834 -21.012  1.00 13.67           C  
-ATOM   4335  CD2 LEU B 221       7.585 119.861 -19.592  1.00 15.07           C  
-ATOM   4336  N   PHE B 222      11.204 116.664 -20.334  1.00 15.24           N  
-ATOM   4337  CA  PHE B 222      12.262 116.408 -19.361  1.00 15.35           C  
-ATOM   4338  C   PHE B 222      13.303 115.383 -19.779  1.00 15.83           C  
-ATOM   4339  O   PHE B 222      14.016 114.830 -18.950  1.00 14.23           O  
-ATOM   4340  CB  PHE B 222      11.634 116.066 -18.007  1.00 15.06           C  
-ATOM   4341  CG  PHE B 222      10.892 117.225 -17.397  1.00 14.57           C  
-ATOM   4342  CD1 PHE B 222       9.517 117.218 -17.309  1.00 13.67           C  
-ATOM   4343  CD2 PHE B 222      11.584 118.360 -16.967  1.00 13.66           C  
-ATOM   4344  CE1 PHE B 222       8.839 118.318 -16.812  1.00 13.17           C  
-ATOM   4345  CE2 PHE B 222      10.910 119.460 -16.472  1.00 11.50           C  
-ATOM   4346  CZ  PHE B 222       9.540 119.438 -16.397  1.00 10.88           C  
-ATOM   4347  N   GLU B 223      13.421 115.156 -21.077  1.00 17.39           N  
-ATOM   4348  CA  GLU B 223      14.392 114.198 -21.569  1.00 19.18           C  
-ATOM   4349  C   GLU B 223      15.805 114.658 -21.184  1.00 16.49           C  
-ATOM   4350  O   GLU B 223      16.192 115.788 -21.469  1.00 16.76           O  
-ATOM   4351  CB  GLU B 223      14.272 114.075 -23.083  1.00 24.33           C  
-ATOM   4352  CG  GLU B 223      15.027 112.899 -23.627  1.00 35.53           C  
-ATOM   4353  CD  GLU B 223      15.826 113.253 -24.855  1.00 43.26           C  
-ATOM   4354  OE1 GLU B 223      15.274 113.104 -25.970  1.00 47.61           O  
-ATOM   4355  OE2 GLU B 223      17.003 113.677 -24.705  1.00 47.63           O  
-ATOM   4356  N   GLY B 224      16.547 113.803 -20.484  1.00 15.58           N  
-ATOM   4357  CA  GLY B 224      17.901 114.142 -20.075  1.00 13.68           C  
-ATOM   4358  C   GLY B 224      18.010 114.928 -18.776  1.00 12.75           C  
-ATOM   4359  O   GLY B 224      19.090 115.027 -18.209  1.00 11.71           O  
-ATOM   4360  N   THR B 225      16.895 115.461 -18.280  1.00 13.29           N  
-ATOM   4361  CA  THR B 225      16.894 116.253 -17.044  1.00 13.04           C  
-ATOM   4362  C   THR B 225      17.333 115.459 -15.808  1.00 14.21           C  
-ATOM   4363  O   THR B 225      18.188 115.928 -15.047  1.00 14.11           O  
-ATOM   4364  CB  THR B 225      15.515 116.920 -16.800  1.00 12.25           C  
-ATOM   4365  OG1 THR B 225      15.154 117.684 -17.952  1.00 13.58           O  
-ATOM   4366  CG2 THR B 225      15.569 117.864 -15.604  1.00 10.50           C  
-ATOM   4367  N   ALA B 226      16.793 114.251 -15.621  1.00 13.32           N  
-ATOM   4368  CA  ALA B 226      17.180 113.417 -14.480  1.00 12.94           C  
-ATOM   4369  C   ALA B 226      18.702 113.174 -14.436  1.00 13.42           C  
-ATOM   4370  O   ALA B 226      19.337 113.255 -13.370  1.00 13.35           O  
-ATOM   4371  CB  ALA B 226      16.443 112.090 -14.526  1.00 11.90           C  
-ATOM   4372  N   GLU B 227      19.289 112.899 -15.602  1.00 13.34           N  
-ATOM   4373  CA  GLU B 227      20.726 112.636 -15.704  1.00 11.57           C  
-ATOM   4374  C   GLU B 227      21.548 113.891 -15.412  1.00 12.95           C  
-ATOM   4375  O   GLU B 227      22.606 113.823 -14.772  1.00 13.20           O  
-ATOM   4376  CB  GLU B 227      21.076 112.089 -17.089  1.00 13.82           C  
-ATOM   4377  CG  GLU B 227      20.502 110.685 -17.370  1.00 17.34           C  
-ATOM   4378  CD  GLU B 227      19.010 110.663 -17.711  1.00 21.33           C  
-ATOM   4379  OE1 GLU B 227      18.382 111.730 -17.905  1.00 21.12           O  
-ATOM   4380  OE2 GLU B 227      18.448 109.551 -17.799  1.00 25.70           O  
-ATOM   4381  N   TRP B 228      21.073 115.038 -15.889  1.00 10.73           N  
-ATOM   4382  CA  TRP B 228      21.779 116.283 -15.640  1.00 12.37           C  
-ATOM   4383  C   TRP B 228      21.756 116.565 -14.125  1.00 12.30           C  
-ATOM   4384  O   TRP B 228      22.778 116.952 -13.545  1.00 11.89           O  
-ATOM   4385  CB  TRP B 228      21.143 117.443 -16.424  1.00 11.76           C  
-ATOM   4386  CG  TRP B 228      21.907 118.728 -16.248  1.00 12.54           C  
-ATOM   4387  CD1 TRP B 228      23.013 119.124 -16.939  1.00 12.46           C  
-ATOM   4388  CD2 TRP B 228      21.662 119.748 -15.261  1.00 12.31           C  
-ATOM   4389  NE1 TRP B 228      23.478 120.321 -16.442  1.00 14.62           N  
-ATOM   4390  CE2 TRP B 228      22.669 120.724 -15.412  1.00 13.80           C  
-ATOM   4391  CE3 TRP B 228      20.690 119.923 -14.259  1.00 13.34           C  
-ATOM   4392  CZ2 TRP B 228      22.737 121.863 -14.598  1.00 14.74           C  
-ATOM   4393  CZ3 TRP B 228      20.757 121.054 -13.448  1.00 12.27           C  
-ATOM   4394  CH2 TRP B 228      21.775 122.009 -13.625  1.00 14.33           C  
-ATOM   4395  N   ILE B 229      20.605 116.341 -13.482  1.00 12.47           N  
-ATOM   4396  CA  ILE B 229      20.504 116.570 -12.038  1.00 11.96           C  
-ATOM   4397  C   ILE B 229      21.456 115.645 -11.298  1.00 13.32           C  
-ATOM   4398  O   ILE B 229      22.171 116.086 -10.398  1.00 14.10           O  
-ATOM   4399  CB  ILE B 229      19.056 116.393 -11.523  1.00 12.24           C  
-ATOM   4400  CG1 ILE B 229      18.168 117.498 -12.098  1.00  9.98           C  
-ATOM   4401  CG2 ILE B 229      19.014 116.437  -9.980  1.00 11.34           C  
-ATOM   4402  CD1 ILE B 229      16.683 117.277 -11.859  1.00 11.54           C  
-ATOM   4403  N   ALA B 230      21.514 114.373 -11.690  1.00 13.59           N  
-ATOM   4404  CA  ALA B 230      22.426 113.427 -11.032  1.00 13.54           C  
-ATOM   4405  C   ALA B 230      23.880 113.895 -11.148  1.00 12.91           C  
-ATOM   4406  O   ALA B 230      24.660 113.747 -10.207  1.00 14.22           O  
-ATOM   4407  CB  ALA B 230      22.262 112.025 -11.615  1.00 12.91           C  
-ATOM   4408  N   ARG B 231      24.242 114.502 -12.281  1.00 13.06           N  
-ATOM   4409  CA  ARG B 231      25.606 115.014 -12.468  1.00 12.35           C  
-ATOM   4410  C   ARG B 231      25.916 116.138 -11.460  1.00 12.03           C  
-ATOM   4411  O   ARG B 231      27.092 116.461 -11.221  1.00 10.56           O  
-ATOM   4412  CB  ARG B 231      25.811 115.529 -13.904  1.00 14.06           C  
-ATOM   4413  CG  ARG B 231      25.948 114.427 -14.977  1.00 17.01           C  
-ATOM   4414  CD  ARG B 231      26.063 115.038 -16.379  1.00 21.06           C  
-ATOM   4415  NE  ARG B 231      27.192 115.968 -16.433  1.00 26.36           N  
-ATOM   4416  CZ  ARG B 231      27.200 117.147 -17.065  1.00 29.45           C  
-ATOM   4417  NH1 ARG B 231      26.132 117.583 -17.738  1.00 30.77           N  
-ATOM   4418  NH2 ARG B 231      28.280 117.920 -16.991  1.00 27.41           N  
-ATOM   4419  N   CYS B 232      24.869 116.763 -10.914  1.00 10.50           N  
-ATOM   4420  CA  CYS B 232      25.028 117.840  -9.929  1.00  9.78           C  
-ATOM   4421  C   CYS B 232      25.288 117.303  -8.522  1.00 10.10           C  
-ATOM   4422  O   CYS B 232      25.699 118.070  -7.634  1.00 10.40           O  
-ATOM   4423  CB  CYS B 232      23.811 118.770  -9.904  1.00 10.14           C  
-ATOM   4424  SG  CYS B 232      23.527 119.725 -11.442  1.00 12.22           S  
-ATOM   4425  N   GLN B 233      24.993 116.019  -8.283  1.00  9.39           N  
-ATOM   4426  CA  GLN B 233      25.289 115.426  -6.975  1.00 10.06           C  
-ATOM   4427  C   GLN B 233      26.818 115.309  -6.945  1.00 11.14           C  
-ATOM   4428  O   GLN B 233      27.420 114.874  -7.923  1.00 12.84           O  
-ATOM   4429  CB  GLN B 233      24.648 114.050  -6.817  1.00 10.16           C  
-ATOM   4430  CG  GLN B 233      25.010 113.412  -5.474  1.00  9.72           C  
-ATOM   4431  CD  GLN B 233      24.256 112.138  -5.211  1.00 11.88           C  
-ATOM   4432  OE1 GLN B 233      23.981 111.369  -6.128  1.00 11.03           O  
-ATOM   4433  NE2 GLN B 233      23.905 111.906  -3.945  1.00 10.55           N  
-ATOM   4434  N   ASN B 234      27.460 115.760  -5.873  1.00 11.27           N  
-ATOM   4435  CA  ASN B 234      28.919 115.728  -5.830  1.00 11.19           C  
-ATOM   4436  C   ASN B 234      29.496 114.757  -4.807  1.00 12.22           C  
-ATOM   4437  O   ASN B 234      28.760 113.949  -4.228  1.00 12.31           O  
-ATOM   4438  CB  ASN B 234      29.478 117.162  -5.661  1.00 10.38           C  
-ATOM   4439  CG  ASN B 234      29.434 117.680  -4.213  1.00 10.95           C  
-ATOM   4440  OD1 ASN B 234      28.793 117.100  -3.335  1.00 11.18           O  
-ATOM   4441  ND2 ASN B 234      30.139 118.777  -3.966  1.00  9.33           N  
-ATOM   4442  N   TRP B 235      30.811 114.832  -4.600  1.00 12.07           N  
-ATOM   4443  CA  TRP B 235      31.528 113.963  -3.659  1.00 12.59           C  
-ATOM   4444  C   TRP B 235      30.986 114.023  -2.236  1.00 13.49           C  
-ATOM   4445  O   TRP B 235      31.162 113.071  -1.469  1.00 13.68           O  
-ATOM   4446  CB  TRP B 235      33.025 114.303  -3.635  1.00 10.61           C  
-ATOM   4447  CG  TRP B 235      33.299 115.748  -3.293  1.00 12.48           C  
-ATOM   4448  CD1 TRP B 235      33.267 116.817  -4.152  1.00 11.84           C  
-ATOM   4449  CD2 TRP B 235      33.600 116.287  -1.994  1.00 11.41           C  
-ATOM   4450  NE1 TRP B 235      33.517 117.983  -3.464  1.00 12.17           N  
-ATOM   4451  CE2 TRP B 235      33.725 117.688  -2.141  1.00 11.10           C  
-ATOM   4452  CE3 TRP B 235      33.767 115.724  -0.721  1.00 10.42           C  
-ATOM   4453  CZ2 TRP B 235      34.008 118.535  -1.062  1.00 12.47           C  
-ATOM   4454  CZ3 TRP B 235      34.049 116.567   0.351  1.00 10.31           C  
-ATOM   4455  CH2 TRP B 235      34.166 117.958   0.175  1.00 11.32           C  
-ATOM   4456  N   GLU B 236      30.346 115.141  -1.883  1.00 13.04           N  
-ATOM   4457  CA  GLU B 236      29.776 115.317  -0.545  1.00 12.54           C  
-ATOM   4458  C   GLU B 236      28.486 114.526  -0.331  1.00 11.58           C  
-ATOM   4459  O   GLU B 236      28.147 114.203   0.806  1.00 11.59           O  
-ATOM   4460  CB  GLU B 236      29.478 116.790  -0.269  1.00 11.10           C  
-ATOM   4461  CG  GLU B 236      30.647 117.722  -0.445  1.00 10.38           C  
-ATOM   4462  CD  GLU B 236      30.240 119.167  -0.246  1.00 10.67           C  
-ATOM   4463  OE1 GLU B 236      30.164 119.908  -1.248  1.00 11.23           O  
-ATOM   4464  OE2 GLU B 236      29.985 119.557   0.914  1.00 11.13           O  
-ATOM   4465  N   GLY B 237      27.759 114.245  -1.407  1.00 10.59           N  
-ATOM   4466  CA  GLY B 237      26.509 113.524  -1.287  1.00 10.09           C  
-ATOM   4467  C   GLY B 237      25.343 114.447  -1.589  1.00 10.11           C  
-ATOM   4468  O   GLY B 237      24.279 113.992  -2.014  1.00  9.47           O  
-ATOM   4469  N   GLY B 238      25.527 115.737  -1.320  1.00  9.87           N  
-ATOM   4470  CA  GLY B 238      24.495 116.715  -1.619  1.00 10.27           C  
-ATOM   4471  C   GLY B 238      24.573 117.095  -3.093  1.00  9.83           C  
-ATOM   4472  O   GLY B 238      25.383 116.536  -3.845  1.00 10.59           O  
-ATOM   4473  N   ILE B 239      23.803 118.103  -3.489  1.00  9.87           N  
-ATOM   4474  CA  ILE B 239      23.730 118.550  -4.889  1.00  8.76           C  
-ATOM   4475  C   ILE B 239      24.147 120.020  -5.021  1.00 10.13           C  
-ATOM   4476  O   ILE B 239      23.764 120.865  -4.197  1.00 10.09           O  
-ATOM   4477  CB  ILE B 239      22.275 118.348  -5.426  1.00  9.79           C  
-ATOM   4478  CG1 ILE B 239      21.902 116.860  -5.363  1.00  9.10           C  
-ATOM   4479  CG2 ILE B 239      22.126 118.884  -6.853  1.00  9.10           C  
-ATOM   4480  CD1 ILE B 239      20.474 116.535  -5.768  1.00  9.38           C  
-ATOM   4481  N   GLY B 240      24.971 120.308  -6.024  1.00  9.83           N  
-ATOM   4482  CA  GLY B 240      25.430 121.665  -6.261  1.00  8.97           C  
-ATOM   4483  C   GLY B 240      24.563 122.339  -7.311  1.00 10.95           C  
-ATOM   4484  O   GLY B 240      23.712 121.691  -7.927  1.00 11.37           O  
-ATOM   4485  N   GLY B 241      24.778 123.635  -7.533  1.00 11.26           N  
-ATOM   4486  CA  GLY B 241      23.972 124.369  -8.507  1.00 11.08           C  
-ATOM   4487  C   GLY B 241      24.116 123.871  -9.930  1.00 11.27           C  
-ATOM   4488  O   GLY B 241      23.161 123.911 -10.711  1.00 10.30           O  
-ATOM   4489  N   VAL B 242      25.325 123.415 -10.255  1.00 11.09           N  
-ATOM   4490  CA  VAL B 242      25.668 122.869 -11.567  1.00 11.76           C  
-ATOM   4491  C   VAL B 242      26.727 121.791 -11.292  1.00 12.48           C  
-ATOM   4492  O   VAL B 242      27.319 121.768 -10.204  1.00 12.56           O  
-ATOM   4493  CB  VAL B 242      26.277 123.960 -12.529  1.00 11.67           C  
-ATOM   4494  CG1 VAL B 242      25.214 125.001 -12.909  1.00  9.38           C  
-ATOM   4495  CG2 VAL B 242      27.481 124.625 -11.891  1.00 12.31           C  
-ATOM   4496  N   PRO B 243      26.989 120.897 -12.266  1.00 12.91           N  
-ATOM   4497  CA  PRO B 243      27.997 119.846 -12.058  1.00 12.00           C  
-ATOM   4498  C   PRO B 243      29.342 120.418 -11.624  1.00 11.50           C  
-ATOM   4499  O   PRO B 243      29.806 121.414 -12.186  1.00 12.09           O  
-ATOM   4500  CB  PRO B 243      28.075 119.174 -13.436  1.00 12.38           C  
-ATOM   4501  CG  PRO B 243      26.638 119.285 -13.923  1.00 13.35           C  
-ATOM   4502  CD  PRO B 243      26.318 120.738 -13.571  1.00 12.42           C  
-ATOM   4503  N   GLY B 244      29.926 119.825 -10.580  1.00 12.28           N  
-ATOM   4504  CA  GLY B 244      31.214 120.268 -10.063  1.00 11.25           C  
-ATOM   4505  C   GLY B 244      31.134 121.180  -8.849  1.00 11.53           C  
-ATOM   4506  O   GLY B 244      32.069 121.243  -8.044  1.00 11.54           O  
-ATOM   4507  N   MET B 245      29.994 121.835  -8.664  1.00 11.38           N  
-ATOM   4508  CA  MET B 245      29.845 122.774  -7.567  1.00 11.00           C  
-ATOM   4509  C   MET B 245      29.514 122.178  -6.206  1.00 10.65           C  
-ATOM   4510  O   MET B 245      29.001 121.059  -6.099  1.00 10.98           O  
-ATOM   4511  CB  MET B 245      28.867 123.889  -7.947  1.00 11.81           C  
-ATOM   4512  CG  MET B 245      29.540 125.086  -8.628  1.00 14.11           C  
-ATOM   4513  SD  MET B 245      30.895 125.748  -7.627  1.00 19.86           S  
-ATOM   4514  CE  MET B 245      30.056 126.475  -6.246  1.00 18.92           C  
-ATOM   4515  N   GLU B 246      29.848 122.949  -5.174  1.00 10.41           N  
-ATOM   4516  CA  GLU B 246      29.655 122.579  -3.774  1.00 10.41           C  
-ATOM   4517  C   GLU B 246      28.196 122.248  -3.441  1.00 10.74           C  
-ATOM   4518  O   GLU B 246      27.278 122.913  -3.912  1.00 10.64           O  
-ATOM   4519  CB  GLU B 246      30.165 123.723  -2.882  1.00  9.59           C  
-ATOM   4520  CG  GLU B 246      30.106 123.446  -1.387  1.00 10.79           C  
-ATOM   4521  CD  GLU B 246      30.514 124.636  -0.543  1.00 10.68           C  
-ATOM   4522  OE1 GLU B 246      30.623 125.751  -1.092  1.00 12.80           O  
-ATOM   4523  OE2 GLU B 246      30.711 124.474   0.679  1.00 11.66           O  
-ATOM   4524  N   ALA B 247      27.991 121.202  -2.646  1.00  9.67           N  
-ATOM   4525  CA  ALA B 247      26.655 120.790  -2.245  1.00  9.43           C  
-ATOM   4526  C   ALA B 247      26.007 121.866  -1.379  1.00  9.73           C  
-ATOM   4527  O   ALA B 247      26.605 122.350  -0.421  1.00 10.63           O  
-ATOM   4528  CB  ALA B 247      26.724 119.473  -1.477  1.00  9.36           C  
-ATOM   4529  N   HIS B 248      24.762 122.203  -1.683  1.00 10.73           N  
-ATOM   4530  CA  HIS B 248      24.057 123.216  -0.917  1.00  9.73           C  
-ATOM   4531  C   HIS B 248      22.614 122.763  -0.725  1.00  9.11           C  
-ATOM   4532  O   HIS B 248      22.011 122.224  -1.649  1.00  9.40           O  
-ATOM   4533  CB  HIS B 248      24.092 124.557  -1.660  1.00  8.85           C  
-ATOM   4534  CG  HIS B 248      23.766 125.728  -0.789  1.00 11.19           C  
-ATOM   4535  ND1 HIS B 248      22.481 126.007  -0.364  1.00 11.23           N  
-ATOM   4536  CD2 HIS B 248      24.566 126.644  -0.191  1.00 10.19           C  
-ATOM   4537  CE1 HIS B 248      22.509 127.032   0.470  1.00  9.55           C  
-ATOM   4538  NE2 HIS B 248      23.761 127.437   0.590  1.00 10.74           N  
-ATOM   4539  N   GLY B 249      22.061 122.999   0.465  1.00  9.12           N  
-ATOM   4540  CA  GLY B 249      20.685 122.606   0.750  1.00  7.55           C  
-ATOM   4541  C   GLY B 249      19.664 123.131  -0.246  1.00  9.16           C  
-ATOM   4542  O   GLY B 249      18.726 122.420  -0.616  1.00  9.22           O  
-ATOM   4543  N   GLY B 250      19.816 124.389  -0.665  1.00  9.70           N  
-ATOM   4544  CA  GLY B 250      18.882 124.949  -1.630  1.00  8.69           C  
-ATOM   4545  C   GLY B 250      18.856 124.161  -2.932  1.00  9.40           C  
-ATOM   4546  O   GLY B 250      17.796 123.795  -3.419  1.00  9.57           O  
-ATOM   4547  N   TYR B 251      20.029 123.872  -3.485  1.00  9.37           N  
-ATOM   4548  CA  TYR B 251      20.115 123.126  -4.734  1.00  8.65           C  
-ATOM   4549  C   TYR B 251      19.808 121.651  -4.551  1.00  9.24           C  
-ATOM   4550  O   TYR B 251      19.305 121.011  -5.470  1.00 10.31           O  
-ATOM   4551  CB  TYR B 251      21.491 123.307  -5.375  1.00 10.82           C  
-ATOM   4552  CG  TYR B 251      21.761 124.729  -5.807  1.00 10.00           C  
-ATOM   4553  CD1 TYR B 251      22.923 125.387  -5.416  1.00 10.11           C  
-ATOM   4554  CD2 TYR B 251      20.858 125.408  -6.629  1.00 12.50           C  
-ATOM   4555  CE1 TYR B 251      23.187 126.694  -5.841  1.00 11.03           C  
-ATOM   4556  CE2 TYR B 251      21.105 126.708  -7.056  1.00 12.86           C  
-ATOM   4557  CZ  TYR B 251      22.271 127.345  -6.658  1.00 13.30           C  
-ATOM   4558  OH  TYR B 251      22.514 128.639  -7.059  1.00 13.60           O  
-ATOM   4559  N   THR B 252      20.086 121.112  -3.366  1.00  8.84           N  
-ATOM   4560  CA  THR B 252      19.792 119.704  -3.085  1.00  9.37           C  
-ATOM   4561  C   THR B 252      18.276 119.506  -3.000  1.00  9.56           C  
-ATOM   4562  O   THR B 252      17.746 118.514  -3.523  1.00  9.11           O  
-ATOM   4563  CB  THR B 252      20.505 119.228  -1.804  1.00  8.20           C  
-ATOM   4564  OG1 THR B 252      21.905 119.485  -1.949  1.00  9.01           O  
-ATOM   4565  CG2 THR B 252      20.299 117.736  -1.578  1.00  8.14           C  
-ATOM   4566  N   PHE B 253      17.578 120.443  -2.354  1.00  9.33           N  
-ATOM   4567  CA  PHE B 253      16.130 120.355  -2.290  1.00  9.71           C  
-ATOM   4568  C   PHE B 253      15.604 120.387  -3.726  1.00  9.42           C  
-ATOM   4569  O   PHE B 253      14.813 119.525  -4.131  1.00  9.55           O  
-ATOM   4570  CB  PHE B 253      15.490 121.516  -1.521  1.00  9.00           C  
-ATOM   4571  CG  PHE B 253      13.987 121.483  -1.578  1.00  9.58           C  
-ATOM   4572  CD1 PHE B 253      13.268 120.609  -0.748  1.00  8.94           C  
-ATOM   4573  CD2 PHE B 253      13.298 122.186  -2.567  1.00  8.47           C  
-ATOM   4574  CE1 PHE B 253      11.899 120.420  -0.914  1.00  7.51           C  
-ATOM   4575  CE2 PHE B 253      11.926 122.005  -2.740  1.00 10.40           C  
-ATOM   4576  CZ  PHE B 253      11.225 121.115  -1.914  1.00  9.01           C  
-ATOM   4577  N   CYS B 254      16.015 121.396  -4.489  1.00  7.71           N  
-ATOM   4578  CA  CYS B 254      15.556 121.502  -5.869  1.00 10.15           C  
-ATOM   4579  C   CYS B 254      15.805 120.224  -6.668  1.00 11.39           C  
-ATOM   4580  O   CYS B 254      14.901 119.727  -7.352  1.00 12.20           O  
-ATOM   4581  CB  CYS B 254      16.220 122.685  -6.578  1.00  9.29           C  
-ATOM   4582  SG  CYS B 254      15.621 124.297  -6.031  1.00 12.04           S  
-ATOM   4583  N   GLY B 255      17.025 119.698  -6.582  1.00 10.02           N  
-ATOM   4584  CA  GLY B 255      17.373 118.495  -7.321  1.00  9.87           C  
-ATOM   4585  C   GLY B 255      16.546 117.283  -6.946  1.00 10.69           C  
-ATOM   4586  O   GLY B 255      15.957 116.637  -7.821  1.00 10.11           O  
-ATOM   4587  N   LEU B 256      16.452 116.987  -5.651  1.00  9.20           N  
-ATOM   4588  CA  LEU B 256      15.700 115.810  -5.228  1.00  8.15           C  
-ATOM   4589  C   LEU B 256      14.199 115.946  -5.478  1.00  8.80           C  
-ATOM   4590  O   LEU B 256      13.569 115.014  -5.978  1.00 10.03           O  
-ATOM   4591  CB  LEU B 256      16.003 115.440  -3.762  1.00  8.44           C  
-ATOM   4592  CG  LEU B 256      15.306 114.157  -3.274  1.00 10.80           C  
-ATOM   4593  CD1 LEU B 256      15.666 112.956  -4.181  1.00 11.00           C  
-ATOM   4594  CD2 LEU B 256      15.696 113.873  -1.833  1.00 11.13           C  
-ATOM   4595  N   ALA B 257      13.631 117.113  -5.197  1.00  8.99           N  
-ATOM   4596  CA  ALA B 257      12.202 117.313  -5.425  1.00  9.20           C  
-ATOM   4597  C   ALA B 257      11.877 117.163  -6.924  1.00  9.10           C  
-ATOM   4598  O   ALA B 257      10.857 116.577  -7.289  1.00  9.56           O  
-ATOM   4599  CB  ALA B 257      11.752 118.697  -4.898  1.00  9.83           C  
-ATOM   4600  N   ALA B 258      12.745 117.687  -7.786  1.00  9.96           N  
-ATOM   4601  CA  ALA B 258      12.526 117.571  -9.225  1.00  9.90           C  
-ATOM   4602  C   ALA B 258      12.533 116.082  -9.611  1.00 11.20           C  
-ATOM   4603  O   ALA B 258      11.643 115.604 -10.335  1.00 10.66           O  
-ATOM   4604  CB  ALA B 258      13.604 118.330  -9.991  1.00  8.98           C  
-ATOM   4605  N   LEU B 259      13.515 115.348  -9.097  1.00 10.39           N  
-ATOM   4606  CA  LEU B 259      13.624 113.919  -9.396  1.00 12.09           C  
-ATOM   4607  C   LEU B 259      12.421 113.146  -8.889  1.00 12.09           C  
-ATOM   4608  O   LEU B 259      11.994 112.179  -9.523  1.00 12.69           O  
-ATOM   4609  CB  LEU B 259      14.920 113.328  -8.837  1.00 11.09           C  
-ATOM   4610  CG  LEU B 259      16.166 113.722  -9.631  1.00 12.90           C  
-ATOM   4611  CD1 LEU B 259      17.403 113.128  -8.977  1.00 14.11           C  
-ATOM   4612  CD2 LEU B 259      16.063 113.263 -11.079  1.00 11.48           C  
-ATOM   4613  N   VAL B 260      11.880 113.555  -7.746  1.00 12.17           N  
-ATOM   4614  CA  VAL B 260      10.692 112.900  -7.198  1.00 12.73           C  
-ATOM   4615  C   VAL B 260       9.513 113.116  -8.164  1.00 12.45           C  
-ATOM   4616  O   VAL B 260       8.780 112.183  -8.470  1.00 10.91           O  
-ATOM   4617  CB  VAL B 260      10.358 113.419  -5.775  1.00 13.46           C  
-ATOM   4618  CG1 VAL B 260       8.984 112.919  -5.329  1.00 10.89           C  
-ATOM   4619  CG2 VAL B 260      11.441 112.939  -4.775  1.00 12.09           C  
-ATOM   4620  N   ILE B 261       9.364 114.329  -8.692  1.00 12.65           N  
-ATOM   4621  CA  ILE B 261       8.281 114.614  -9.647  1.00 13.22           C  
-ATOM   4622  C   ILE B 261       8.461 113.753 -10.909  1.00 14.44           C  
-ATOM   4623  O   ILE B 261       7.501 113.215 -11.451  1.00 15.80           O  
-ATOM   4624  CB  ILE B 261       8.264 116.121 -10.048  1.00 12.42           C  
-ATOM   4625  CG1 ILE B 261       7.866 116.972  -8.833  1.00 10.81           C  
-ATOM   4626  CG2 ILE B 261       7.321 116.362 -11.239  1.00  9.89           C  
-ATOM   4627  CD1 ILE B 261       8.159 118.440  -8.979  1.00  9.82           C  
-ATOM   4628  N   LEU B 262       9.700 113.622 -11.366  1.00 15.08           N  
-ATOM   4629  CA  LEU B 262      10.003 112.831 -12.558  1.00 15.63           C  
-ATOM   4630  C   LEU B 262      10.058 111.320 -12.287  1.00 17.28           C  
-ATOM   4631  O   LEU B 262      10.217 110.521 -13.215  1.00 16.80           O  
-ATOM   4632  CB  LEU B 262      11.335 113.290 -13.156  1.00 14.93           C  
-ATOM   4633  CG  LEU B 262      11.465 114.765 -13.552  1.00 14.56           C  
-ATOM   4634  CD1 LEU B 262      12.844 115.012 -14.147  1.00 15.51           C  
-ATOM   4635  CD2 LEU B 262      10.384 115.141 -14.539  1.00 17.17           C  
-ATOM   4636  N   LYS B 263       9.916 110.928 -11.024  1.00 16.73           N  
-ATOM   4637  CA  LYS B 263       9.982 109.522 -10.634  1.00 18.93           C  
-ATOM   4638  C   LYS B 263      11.345 108.930 -11.016  1.00 19.33           C  
-ATOM   4639  O   LYS B 263      11.435 107.783 -11.472  1.00 18.23           O  
-ATOM   4640  CB  LYS B 263       8.845 108.716 -11.274  1.00 22.31           C  
-ATOM   4641  CG  LYS B 263       7.476 108.960 -10.664  1.00 27.22           C  
-ATOM   4642  CD  LYS B 263       6.425 108.009 -11.239  1.00 34.10           C  
-ATOM   4643  CE  LYS B 263       5.724 108.580 -12.486  1.00 40.00           C  
-ATOM   4644  NZ  LYS B 263       6.596 108.784 -13.694  1.00 43.82           N  
-ATOM   4645  N   ARG B 264      12.404 109.717 -10.810  1.00 15.88           N  
-ATOM   4646  CA  ARG B 264      13.759 109.289 -11.134  1.00 15.52           C  
-ATOM   4647  C   ARG B 264      14.747 109.465  -9.964  1.00 15.79           C  
-ATOM   4648  O   ARG B 264      15.948 109.603 -10.186  1.00 15.27           O  
-ATOM   4649  CB  ARG B 264      14.270 110.051 -12.366  1.00 17.19           C  
-ATOM   4650  CG  ARG B 264      13.491 109.807 -13.677  1.00 17.65           C  
-ATOM   4651  CD  ARG B 264      13.790 108.425 -14.257  1.00 21.82           C  
-ATOM   4652  NE  ARG B 264      15.236 108.190 -14.357  1.00 26.21           N  
-ATOM   4653  CZ  ARG B 264      15.987 108.419 -15.440  1.00 27.84           C  
-ATOM   4654  NH1 ARG B 264      15.456 108.886 -16.565  1.00 26.07           N  
-ATOM   4655  NH2 ARG B 264      17.301 108.241 -15.372  1.00 30.23           N  
-ATOM   4656  N   GLU B 265      14.254 109.406  -8.727  1.00 16.97           N  
-ATOM   4657  CA  GLU B 265      15.109 109.562  -7.532  1.00 18.37           C  
-ATOM   4658  C   GLU B 265      16.279 108.590  -7.519  1.00 17.76           C  
-ATOM   4659  O   GLU B 265      17.356 108.913  -7.010  1.00 16.85           O  
-ATOM   4660  CB  GLU B 265      14.338 109.338  -6.214  1.00 20.69           C  
-ATOM   4661  CG  GLU B 265      13.018 110.012  -6.085  1.00 25.54           C  
-ATOM   4662  CD  GLU B 265      11.884 109.114  -6.525  1.00 27.40           C  
-ATOM   4663  OE1 GLU B 265      11.687 108.961  -7.740  1.00 24.88           O  
-ATOM   4664  OE2 GLU B 265      11.188 108.556  -5.650  1.00 33.03           O  
-ATOM   4665  N   ARG B 266      16.042 107.380  -8.014  1.00 18.25           N  
-ATOM   4666  CA  ARG B 266      17.073 106.352  -8.072  1.00 22.23           C  
-ATOM   4667  C   ARG B 266      18.306 106.745  -8.881  1.00 21.12           C  
-ATOM   4668  O   ARG B 266      19.320 106.056  -8.841  1.00 22.76           O  
-ATOM   4669  CB  ARG B 266      16.506 105.050  -8.628  1.00 27.97           C  
-ATOM   4670  CG  ARG B 266      15.807 104.177  -7.612  1.00 36.17           C  
-ATOM   4671  CD  ARG B 266      15.665 102.766  -8.196  1.00 43.64           C  
-ATOM   4672  NE  ARG B 266      15.023 101.825  -7.282  1.00 49.10           N  
-ATOM   4673  CZ  ARG B 266      15.522 100.635  -6.948  1.00 51.60           C  
-ATOM   4674  NH1 ARG B 266      16.685 100.223  -7.449  1.00 52.49           N  
-ATOM   4675  NH2 ARG B 266      14.849  99.848  -6.114  1.00 51.97           N  
-ATOM   4676  N   SER B 267      18.219 107.810  -9.665  1.00 19.29           N  
-ATOM   4677  CA  SER B 267      19.382 108.251 -10.422  1.00 18.03           C  
-ATOM   4678  C   SER B 267      20.467 108.760  -9.470  1.00 17.03           C  
-ATOM   4679  O   SER B 267      21.624 108.891  -9.867  1.00 18.67           O  
-ATOM   4680  CB  SER B 267      19.004 109.375 -11.386  1.00 18.96           C  
-ATOM   4681  OG  SER B 267      18.067 108.920 -12.340  1.00 23.95           O  
-ATOM   4682  N   LEU B 268      20.090 109.093  -8.239  1.00 14.05           N  
-ATOM   4683  CA  LEU B 268      21.043 109.610  -7.263  1.00 13.27           C  
-ATOM   4684  C   LEU B 268      21.543 108.521  -6.328  1.00 14.18           C  
-ATOM   4685  O   LEU B 268      20.932 107.456  -6.203  1.00 15.32           O  
-ATOM   4686  CB  LEU B 268      20.383 110.678  -6.382  1.00 13.44           C  
-ATOM   4687  CG  LEU B 268      19.837 111.966  -6.999  1.00 14.15           C  
-ATOM   4688  CD1 LEU B 268      19.134 112.793  -5.948  1.00 14.22           C  
-ATOM   4689  CD2 LEU B 268      20.958 112.760  -7.622  1.00 14.39           C  
-ATOM   4690  N   ASN B 269      22.665 108.794  -5.678  1.00 12.05           N  
-ATOM   4691  CA  ASN B 269      23.190 107.891  -4.673  1.00 11.98           C  
-ATOM   4692  C   ASN B 269      22.429 108.406  -3.436  1.00 12.74           C  
-ATOM   4693  O   ASN B 269      22.790 109.438  -2.854  1.00 11.82           O  
-ATOM   4694  CB  ASN B 269      24.697 108.103  -4.512  1.00 11.59           C  
-ATOM   4695  CG  ASN B 269      25.284 107.297  -3.363  1.00 16.72           C  
-ATOM   4696  OD1 ASN B 269      24.562 106.869  -2.450  1.00 15.95           O  
-ATOM   4697  ND2 ASN B 269      26.605 107.102  -3.385  1.00 14.86           N  
-ATOM   4698  N   LEU B 270      21.322 107.752  -3.095  1.00 12.99           N  
-ATOM   4699  CA  LEU B 270      20.511 108.181  -1.946  1.00 14.74           C  
-ATOM   4700  C   LEU B 270      21.200 107.997  -0.596  1.00 15.23           C  
-ATOM   4701  O   LEU B 270      20.905 108.714   0.358  1.00 15.53           O  
-ATOM   4702  CB  LEU B 270      19.150 107.475  -1.943  1.00 14.98           C  
-ATOM   4703  CG  LEU B 270      18.277 107.692  -3.192  1.00 15.59           C  
-ATOM   4704  CD1 LEU B 270      16.974 106.917  -3.054  1.00 16.69           C  
-ATOM   4705  CD2 LEU B 270      18.006 109.175  -3.422  1.00 13.41           C  
-ATOM   4706  N   LYS B 271      22.121 107.041  -0.530  1.00 15.20           N  
-ATOM   4707  CA  LYS B 271      22.868 106.755   0.684  1.00 17.08           C  
-ATOM   4708  C   LYS B 271      23.783 107.943   1.028  1.00 15.09           C  
-ATOM   4709  O   LYS B 271      23.769 108.429   2.164  1.00 13.90           O  
-ATOM   4710  CB  LYS B 271      23.664 105.445   0.499  1.00 20.75           C  
-ATOM   4711  CG  LYS B 271      24.624 105.028   1.642  1.00 27.93           C  
-ATOM   4712  CD  LYS B 271      26.097 105.376   1.321  1.00 35.24           C  
-ATOM   4713  CE  LYS B 271      26.591 104.735  -0.015  1.00 39.43           C  
-ATOM   4714  NZ  LYS B 271      27.826 105.382  -0.640  1.00 38.93           N  
-ATOM   4715  N   SER B 272      24.541 108.444   0.055  1.00 12.57           N  
-ATOM   4716  CA  SER B 272      25.428 109.564   0.337  1.00 12.28           C  
-ATOM   4717  C   SER B 272      24.639 110.868   0.521  1.00 12.24           C  
-ATOM   4718  O   SER B 272      25.073 111.752   1.278  1.00 12.45           O  
-ATOM   4719  CB  SER B 272      26.518 109.709  -0.735  1.00 12.51           C  
-ATOM   4720  OG  SER B 272      25.945 109.970  -1.999  1.00 15.70           O  
-ATOM   4721  N   LEU B 273      23.471 110.973  -0.121  1.00 11.31           N  
-ATOM   4722  CA  LEU B 273      22.638 112.168   0.027  1.00 11.32           C  
-ATOM   4723  C   LEU B 273      22.075 112.190   1.450  1.00 11.35           C  
-ATOM   4724  O   LEU B 273      22.100 113.222   2.119  1.00 11.88           O  
-ATOM   4725  CB  LEU B 273      21.482 112.177  -0.978  1.00 11.19           C  
-ATOM   4726  CG  LEU B 273      20.940 113.574  -1.336  1.00 16.05           C  
-ATOM   4727  CD1 LEU B 273      20.012 113.470  -2.526  1.00 17.95           C  
-ATOM   4728  CD2 LEU B 273      20.233 114.234  -0.192  1.00 17.70           C  
-ATOM   4729  N   LEU B 274      21.542 111.054   1.894  1.00 10.91           N  
-ATOM   4730  CA  LEU B 274      20.984 110.937   3.240  1.00 11.00           C  
-ATOM   4731  C   LEU B 274      22.025 111.297   4.315  1.00 11.24           C  
-ATOM   4732  O   LEU B 274      21.755 112.108   5.213  1.00 10.95           O  
-ATOM   4733  CB  LEU B 274      20.449 109.519   3.473  1.00  9.39           C  
-ATOM   4734  CG  LEU B 274      19.871 109.221   4.868  1.00 11.85           C  
-ATOM   4735  CD1 LEU B 274      18.659 110.107   5.193  1.00 10.27           C  
-ATOM   4736  CD2 LEU B 274      19.491 107.756   4.941  1.00 10.92           C  
-ATOM   4737  N   GLN B 275      23.223 110.731   4.205  1.00 12.30           N  
-ATOM   4738  CA  GLN B 275      24.265 111.013   5.184  1.00 12.97           C  
-ATOM   4739  C   GLN B 275      24.677 112.489   5.158  1.00 12.33           C  
-ATOM   4740  O   GLN B 275      24.901 113.090   6.214  1.00 12.11           O  
-ATOM   4741  CB  GLN B 275      25.472 110.086   5.002  1.00 15.85           C  
-ATOM   4742  CG  GLN B 275      26.392 110.082   6.237  1.00 20.47           C  
-ATOM   4743  CD  GLN B 275      27.249 108.832   6.349  1.00 25.01           C  
-ATOM   4744  OE1 GLN B 275      27.519 108.148   5.350  1.00 27.02           O  
-ATOM   4745  NE2 GLN B 275      27.672 108.514   7.575  1.00 25.02           N  
-ATOM   4746  N   TRP B 276      24.721 113.083   3.965  1.00 11.11           N  
-ATOM   4747  CA  TRP B 276      25.074 114.492   3.833  1.00 10.40           C  
-ATOM   4748  C   TRP B 276      24.030 115.408   4.480  1.00 10.21           C  
-ATOM   4749  O   TRP B 276      24.387 116.253   5.307  1.00 10.14           O  
-ATOM   4750  CB  TRP B 276      25.253 114.888   2.358  1.00  9.57           C  
-ATOM   4751  CG  TRP B 276      25.524 116.365   2.180  1.00  9.73           C  
-ATOM   4752  CD1 TRP B 276      26.743 117.002   2.249  1.00 11.06           C  
-ATOM   4753  CD2 TRP B 276      24.556 117.388   1.888  1.00 10.38           C  
-ATOM   4754  NE1 TRP B 276      26.586 118.349   2.009  1.00  9.50           N  
-ATOM   4755  CE2 TRP B 276      25.259 118.613   1.783  1.00 11.20           C  
-ATOM   4756  CE3 TRP B 276      23.162 117.386   1.697  1.00  8.24           C  
-ATOM   4757  CZ2 TRP B 276      24.612 119.833   1.492  1.00  9.59           C  
-ATOM   4758  CZ3 TRP B 276      22.525 118.594   1.408  1.00 11.47           C  
-ATOM   4759  CH2 TRP B 276      23.256 119.802   1.309  1.00 10.30           C  
-ATOM   4760  N   VAL B 277      22.750 115.247   4.130  1.00 10.29           N  
-ATOM   4761  CA  VAL B 277      21.724 116.130   4.704  1.00 10.71           C  
-ATOM   4762  C   VAL B 277      21.588 116.028   6.234  1.00 11.04           C  
-ATOM   4763  O   VAL B 277      21.505 117.048   6.923  1.00  9.07           O  
-ATOM   4764  CB  VAL B 277      20.340 116.007   4.006  1.00  9.98           C  
-ATOM   4765  CG1 VAL B 277      19.751 114.636   4.195  1.00  9.72           C  
-ATOM   4766  CG2 VAL B 277      19.387 117.069   4.557  1.00  9.75           C  
-ATOM   4767  N   THR B 278      21.608 114.811   6.769  1.00 10.48           N  
-ATOM   4768  CA  THR B 278      21.510 114.635   8.221  1.00 11.01           C  
-ATOM   4769  C   THR B 278      22.718 115.299   8.924  1.00 11.61           C  
-ATOM   4770  O   THR B 278      22.580 115.846  10.017  1.00 11.31           O  
-ATOM   4771  CB  THR B 278      21.395 113.151   8.608  1.00 10.69           C  
-ATOM   4772  OG1 THR B 278      22.523 112.433   8.095  1.00 11.43           O  
-ATOM   4773  CG2 THR B 278      20.114 112.552   8.033  1.00 11.03           C  
-ATOM   4774  N   SER B 279      23.876 115.323   8.265  1.00 11.27           N  
-ATOM   4775  CA  SER B 279      25.055 115.970   8.826  1.00 11.14           C  
-ATOM   4776  C   SER B 279      24.935 117.495   8.835  1.00 10.43           C  
-ATOM   4777  O   SER B 279      25.720 118.179   9.498  1.00 11.05           O  
-ATOM   4778  CB  SER B 279      26.304 115.559   8.042  1.00 12.46           C  
-ATOM   4779  OG  SER B 279      26.547 114.183   8.217  1.00 14.42           O  
-ATOM   4780  N   ARG B 280      23.963 118.034   8.099  1.00  9.07           N  
-ATOM   4781  CA  ARG B 280      23.777 119.483   8.036  1.00  9.26           C  
-ATOM   4782  C   ARG B 280      23.021 120.064   9.233  1.00 10.39           C  
-ATOM   4783  O   ARG B 280      22.889 121.287   9.345  1.00  9.15           O  
-ATOM   4784  CB  ARG B 280      23.090 119.900   6.728  1.00  9.54           C  
-ATOM   4785  CG  ARG B 280      23.824 119.468   5.438  1.00  8.20           C  
-ATOM   4786  CD  ARG B 280      25.079 120.293   5.101  1.00  9.48           C  
-ATOM   4787  NE  ARG B 280      26.175 120.140   6.059  1.00  9.25           N  
-ATOM   4788  CZ  ARG B 280      26.988 119.080   6.136  1.00 11.25           C  
-ATOM   4789  NH1 ARG B 280      26.847 118.056   5.306  1.00 10.24           N  
-ATOM   4790  NH2 ARG B 280      27.941 119.033   7.065  1.00  9.53           N  
-ATOM   4791  N   GLN B 281      22.442 119.198  10.065  1.00 10.54           N  
-ATOM   4792  CA  GLN B 281      21.759 119.664  11.270  1.00 10.37           C  
-ATOM   4793  C   GLN B 281      22.855 119.967  12.301  1.00 11.13           C  
-ATOM   4794  O   GLN B 281      23.716 119.123  12.565  1.00 11.79           O  
-ATOM   4795  CB  GLN B 281      20.771 118.632  11.828  1.00  9.65           C  
-ATOM   4796  CG  GLN B 281      19.863 119.281  12.880  1.00  9.88           C  
-ATOM   4797  CD  GLN B 281      18.655 118.450  13.257  1.00 11.75           C  
-ATOM   4798  OE1 GLN B 281      18.587 117.245  12.980  1.00 11.43           O  
-ATOM   4799  NE2 GLN B 281      17.694 119.086  13.913  1.00 10.23           N  
-ATOM   4800  N   MET B 282      22.832 121.182  12.845  1.00 11.85           N  
-ATOM   4801  CA  MET B 282      23.831 121.644  13.804  1.00 11.06           C  
-ATOM   4802  C   MET B 282      23.628 121.032  15.186  1.00 11.95           C  
-ATOM   4803  O   MET B 282      22.579 121.231  15.812  1.00 12.10           O  
-ATOM   4804  CB  MET B 282      23.787 123.169  13.876  1.00 12.74           C  
-ATOM   4805  CG  MET B 282      23.811 123.866  12.514  1.00 13.43           C  
-ATOM   4806  SD  MET B 282      25.285 123.488  11.548  1.00 14.29           S  
-ATOM   4807  CE  MET B 282      26.427 124.726  12.182  1.00 13.11           C  
-ATOM   4808  N   ARG B 283      24.633 120.299  15.668  1.00 11.19           N  
-ATOM   4809  CA  ARG B 283      24.538 119.627  16.969  1.00 11.75           C  
-ATOM   4810  C   ARG B 283      24.192 120.577  18.105  1.00 11.37           C  
-ATOM   4811  O   ARG B 283      23.426 120.231  19.004  1.00 12.97           O  
-ATOM   4812  CB  ARG B 283      25.823 118.849  17.292  1.00 12.21           C  
-ATOM   4813  CG  ARG B 283      27.073 119.711  17.422  1.00 14.58           C  
-ATOM   4814  CD  ARG B 283      28.324 118.860  17.687  1.00 18.49           C  
-ATOM   4815  NE  ARG B 283      28.648 118.037  16.529  1.00 23.40           N  
-ATOM   4816  CZ  ARG B 283      28.469 116.720  16.462  1.00 30.81           C  
-ATOM   4817  NH1 ARG B 283      27.967 116.038  17.500  1.00 32.90           N  
-ATOM   4818  NH2 ARG B 283      28.774 116.081  15.335  1.00 33.68           N  
-ATOM   4819  N   PHE B 284      24.732 121.785  18.066  1.00 12.84           N  
-ATOM   4820  CA  PHE B 284      24.429 122.723  19.133  1.00 13.18           C  
-ATOM   4821  C   PHE B 284      23.153 123.542  18.910  1.00 12.81           C  
-ATOM   4822  O   PHE B 284      22.239 123.495  19.732  1.00 12.71           O  
-ATOM   4823  CB  PHE B 284      25.614 123.657  19.422  1.00 14.73           C  
-ATOM   4824  CG  PHE B 284      25.372 124.561  20.605  1.00 14.84           C  
-ATOM   4825  CD1 PHE B 284      25.453 124.056  21.904  1.00 16.94           C  
-ATOM   4826  CD2 PHE B 284      24.959 125.879  20.423  1.00 15.78           C  
-ATOM   4827  CE1 PHE B 284      25.113 124.852  23.003  1.00 16.00           C  
-ATOM   4828  CE2 PHE B 284      24.618 126.682  21.515  1.00 15.89           C  
-ATOM   4829  CZ  PHE B 284      24.694 126.161  22.804  1.00 16.29           C  
-ATOM   4830  N   GLU B 285      23.069 124.232  17.773  1.00 11.72           N  
-ATOM   4831  CA  GLU B 285      21.926 125.098  17.470  1.00 11.35           C  
-ATOM   4832  C   GLU B 285      20.616 124.377  17.241  1.00 11.65           C  
-ATOM   4833  O   GLU B 285      19.562 124.917  17.568  1.00 10.93           O  
-ATOM   4834  CB  GLU B 285      22.211 126.007  16.268  1.00 11.65           C  
-ATOM   4835  CG  GLU B 285      23.476 126.854  16.417  1.00 12.85           C  
-ATOM   4836  CD  GLU B 285      24.694 126.191  15.793  1.00 16.03           C  
-ATOM   4837  OE1 GLU B 285      25.159 125.148  16.298  1.00 14.27           O  
-ATOM   4838  OE2 GLU B 285      25.194 126.721  14.784  1.00 18.13           O  
-ATOM   4839  N   GLY B 286      20.675 123.173  16.668  1.00 10.46           N  
-ATOM   4840  CA  GLY B 286      19.454 122.431  16.405  1.00  9.33           C  
-ATOM   4841  C   GLY B 286      18.892 122.680  15.009  1.00  9.63           C  
-ATOM   4842  O   GLY B 286      18.172 121.831  14.486  1.00  9.75           O  
-ATOM   4843  N   GLY B 287      19.158 123.858  14.441  1.00 10.30           N  
-ATOM   4844  CA  GLY B 287      18.699 124.171  13.093  1.00  9.68           C  
-ATOM   4845  C   GLY B 287      19.666 123.592  12.055  1.00 11.63           C  
-ATOM   4846  O   GLY B 287      20.603 122.846  12.405  1.00  9.70           O  
-ATOM   4847  N   PHE B 288      19.459 123.936  10.783  1.00 10.38           N  
-ATOM   4848  CA  PHE B 288      20.319 123.448   9.704  1.00 10.62           C  
-ATOM   4849  C   PHE B 288      21.176 124.547   9.055  1.00 10.49           C  
-ATOM   4850  O   PHE B 288      20.778 125.720   9.010  1.00 10.20           O  
-ATOM   4851  CB  PHE B 288      19.476 122.805   8.587  1.00  9.79           C  
-ATOM   4852  CG  PHE B 288      18.935 121.440   8.921  1.00  9.62           C  
-ATOM   4853  CD1 PHE B 288      17.813 121.297   9.747  1.00  9.47           C  
-ATOM   4854  CD2 PHE B 288      19.529 120.299   8.389  1.00  8.40           C  
-ATOM   4855  CE1 PHE B 288      17.290 120.032  10.038  1.00  9.31           C  
-ATOM   4856  CE2 PHE B 288      19.014 119.019   8.669  1.00  9.85           C  
-ATOM   4857  CZ  PHE B 288      17.890 118.886   9.497  1.00  9.04           C  
-ATOM   4858  N   GLN B 289      22.352 124.152   8.557  1.00 11.18           N  
-ATOM   4859  CA  GLN B 289      23.248 125.059   7.827  1.00 10.41           C  
-ATOM   4860  C   GLN B 289      22.980 124.707   6.346  1.00 10.39           C  
-ATOM   4861  O   GLN B 289      22.415 123.651   6.052  1.00  9.60           O  
-ATOM   4862  CB  GLN B 289      24.729 124.802   8.180  1.00  9.27           C  
-ATOM   4863  CG  GLN B 289      25.186 123.400   7.815  1.00 10.78           C  
-ATOM   4864  CD  GLN B 289      26.580 123.053   8.305  1.00 10.75           C  
-ATOM   4865  OE1 GLN B 289      27.315 123.896   8.821  1.00 14.63           O  
-ATOM   4866  NE2 GLN B 289      26.941 121.791   8.169  1.00  8.68           N  
-ATOM   4867  N   GLY B 290      23.368 125.591   5.428  1.00 10.97           N  
-ATOM   4868  CA  GLY B 290      23.143 125.353   4.011  1.00  8.74           C  
-ATOM   4869  C   GLY B 290      24.200 124.502   3.339  1.00  9.86           C  
-ATOM   4870  O   GLY B 290      23.950 123.872   2.309  1.00  9.67           O  
-ATOM   4871  N   ARG B 291      25.404 124.530   3.891  1.00 10.34           N  
-ATOM   4872  CA  ARG B 291      26.516 123.755   3.369  1.00 10.76           C  
-ATOM   4873  C   ARG B 291      27.483 123.537   4.514  1.00 11.92           C  
-ATOM   4874  O   ARG B 291      27.448 124.264   5.516  1.00 11.16           O  
-ATOM   4875  CB  ARG B 291      27.198 124.476   2.195  1.00  9.65           C  
-ATOM   4876  CG  ARG B 291      27.233 125.993   2.288  1.00 10.01           C  
-ATOM   4877  CD  ARG B 291      27.920 126.567   1.051  1.00 10.32           C  
-ATOM   4878  NE  ARG B 291      27.670 128.003   0.897  1.00 11.15           N  
-ATOM   4879  CZ  ARG B 291      28.469 128.842   0.243  1.00 11.66           C  
-ATOM   4880  NH1 ARG B 291      29.585 128.394  -0.340  1.00 11.69           N  
-ATOM   4881  NH2 ARG B 291      28.201 130.145   0.236  1.00 11.34           N  
-ATOM   4882  N   CYS B 292      28.333 122.532   4.373  1.00 10.99           N  
-ATOM   4883  CA  CYS B 292      29.280 122.200   5.422  1.00 11.33           C  
-ATOM   4884  C   CYS B 292      30.160 123.382   5.793  1.00 11.34           C  
-ATOM   4885  O   CYS B 292      30.619 124.133   4.930  1.00 10.83           O  
-ATOM   4886  CB  CYS B 292      30.133 121.004   4.992  1.00 12.61           C  
-ATOM   4887  SG  CYS B 292      31.352 120.474   6.223  1.00 13.58           S  
-ATOM   4888  N   ASN B 293      30.352 123.555   7.095  1.00 11.24           N  
-ATOM   4889  CA  ASN B 293      31.182 124.613   7.635  1.00 10.99           C  
-ATOM   4890  C   ASN B 293      30.686 126.032   7.435  1.00 11.77           C  
-ATOM   4891  O   ASN B 293      31.475 126.983   7.444  1.00 12.90           O  
-ATOM   4892  CB  ASN B 293      32.652 124.445   7.208  1.00 11.28           C  
-ATOM   4893  CG  ASN B 293      33.452 123.619   8.202  1.00 13.35           C  
-ATOM   4894  OD1 ASN B 293      33.286 123.763   9.414  1.00 15.27           O  
-ATOM   4895  ND2 ASN B 293      34.321 122.755   7.704  1.00 13.12           N  
-ATOM   4896  N   LYS B 294      29.387 126.175   7.197  1.00 11.36           N  
-ATOM   4897  CA  LYS B 294      28.790 127.500   7.121  1.00 11.94           C  
-ATOM   4898  C   LYS B 294      27.811 127.594   8.300  1.00 11.73           C  
-ATOM   4899  O   LYS B 294      27.737 126.665   9.107  1.00 11.28           O  
-ATOM   4900  CB  LYS B 294      28.200 127.841   5.742  1.00 10.99           C  
-ATOM   4901  CG  LYS B 294      29.330 128.078   4.713  1.00 12.85           C  
-ATOM   4902  CD  LYS B 294      29.021 129.161   3.696  1.00 10.68           C  
-ATOM   4903  CE  LYS B 294      29.105 130.553   4.293  1.00 13.02           C  
-ATOM   4904  NZ  LYS B 294      28.594 131.574   3.327  1.00 13.93           N  
-ATOM   4905  N   LEU B 295      27.087 128.700   8.422  1.00 11.10           N  
-ATOM   4906  CA  LEU B 295      26.214 128.923   9.577  1.00 10.63           C  
-ATOM   4907  C   LEU B 295      24.773 128.435   9.538  1.00 10.59           C  
-ATOM   4908  O   LEU B 295      24.163 128.331   8.468  1.00 12.07           O  
-ATOM   4909  CB  LEU B 295      26.222 130.417   9.924  1.00 11.01           C  
-ATOM   4910  CG  LEU B 295      27.608 131.072  10.061  1.00 12.13           C  
-ATOM   4911  CD1 LEU B 295      27.464 132.576  10.297  1.00 11.67           C  
-ATOM   4912  CD2 LEU B 295      28.380 130.416  11.205  1.00 11.70           C  
-ATOM   4913  N   VAL B 296      24.216 128.214  10.726  1.00  9.11           N  
-ATOM   4914  CA  VAL B 296      22.830 127.789  10.873  1.00  9.62           C  
-ATOM   4915  C   VAL B 296      21.952 128.911  10.310  1.00 10.79           C  
-ATOM   4916  O   VAL B 296      22.367 130.074  10.288  1.00 11.42           O  
-ATOM   4917  CB  VAL B 296      22.483 127.572  12.376  1.00 11.23           C  
-ATOM   4918  CG1 VAL B 296      22.444 128.927  13.125  1.00 10.51           C  
-ATOM   4919  CG2 VAL B 296      21.173 126.798  12.526  1.00  9.72           C  
-ATOM   4920  N   ASP B 297      20.761 128.572   9.826  1.00  9.41           N  
-ATOM   4921  CA  ASP B 297      19.864 129.587   9.280  1.00  9.91           C  
-ATOM   4922  C   ASP B 297      18.475 128.978   9.227  1.00 10.09           C  
-ATOM   4923  O   ASP B 297      18.287 127.900   8.668  1.00 11.64           O  
-ATOM   4924  CB  ASP B 297      20.345 130.007   7.875  1.00 11.11           C  
-ATOM   4925  CG  ASP B 297      19.396 130.992   7.163  1.00 12.16           C  
-ATOM   4926  OD1 ASP B 297      18.217 131.149   7.557  1.00 11.87           O  
-ATOM   4927  OD2 ASP B 297      19.835 131.602   6.166  1.00 11.09           O  
-ATOM   4928  N   GLY B 298      17.502 129.694   9.778  1.00 10.24           N  
-ATOM   4929  CA  GLY B 298      16.132 129.215   9.806  1.00 11.08           C  
-ATOM   4930  C   GLY B 298      15.481 128.796   8.489  1.00 12.40           C  
-ATOM   4931  O   GLY B 298      14.614 127.915   8.484  1.00 12.15           O  
-ATOM   4932  N   CYS B 299      15.862 129.404   7.366  1.00 11.17           N  
-ATOM   4933  CA  CYS B 299      15.242 129.012   6.097  1.00 10.11           C  
-ATOM   4934  C   CYS B 299      15.630 127.579   5.713  1.00 10.21           C  
-ATOM   4935  O   CYS B 299      14.858 126.904   5.033  1.00  9.37           O  
-ATOM   4936  CB  CYS B 299      15.558 130.007   4.961  1.00 10.87           C  
-ATOM   4937  SG  CYS B 299      17.296 130.098   4.417  1.00 10.53           S  
-ATOM   4938  N   TYR B 300      16.788 127.098   6.185  1.00  8.19           N  
-ATOM   4939  CA  TYR B 300      17.209 125.727   5.883  1.00  9.58           C  
-ATOM   4940  C   TYR B 300      16.368 124.703   6.639  1.00  9.31           C  
-ATOM   4941  O   TYR B 300      16.464 123.507   6.389  1.00  9.64           O  
-ATOM   4942  CB  TYR B 300      18.711 125.526   6.098  1.00  9.06           C  
-ATOM   4943  CG  TYR B 300      19.516 126.444   5.202  1.00  9.78           C  
-ATOM   4944  CD1 TYR B 300      20.510 127.278   5.724  1.00  8.89           C  
-ATOM   4945  CD2 TYR B 300      19.216 126.539   3.834  1.00 10.55           C  
-ATOM   4946  CE1 TYR B 300      21.183 128.200   4.901  1.00  8.81           C  
-ATOM   4947  CE2 TYR B 300      19.873 127.445   3.006  1.00  9.37           C  
-ATOM   4948  CZ  TYR B 300      20.854 128.274   3.543  1.00 10.71           C  
-ATOM   4949  OH  TYR B 300      21.499 129.158   2.711  1.00  9.75           O  
-ATOM   4950  N   SER B 301      15.506 125.185   7.531  1.00 10.58           N  
-ATOM   4951  CA  SER B 301      14.586 124.308   8.247  1.00 10.76           C  
-ATOM   4952  C   SER B 301      13.723 123.668   7.148  1.00 10.89           C  
-ATOM   4953  O   SER B 301      13.203 122.564   7.315  1.00 10.38           O  
-ATOM   4954  CB  SER B 301      13.702 125.123   9.196  1.00 11.04           C  
-ATOM   4955  OG  SER B 301      14.492 125.874  10.104  1.00 11.22           O  
-ATOM   4956  N   PHE B 302      13.507 124.398   6.054  1.00  9.13           N  
-ATOM   4957  CA  PHE B 302      12.755 123.819   4.953  1.00  9.69           C  
-ATOM   4958  C   PHE B 302      13.661 123.153   3.904  1.00  9.75           C  
-ATOM   4959  O   PHE B 302      13.530 121.962   3.628  1.00  9.98           O  
-ATOM   4960  CB  PHE B 302      11.847 124.821   4.220  1.00  7.90           C  
-ATOM   4961  CG  PHE B 302      11.124 124.179   3.057  1.00  9.87           C  
-ATOM   4962  CD1 PHE B 302      10.098 123.254   3.293  1.00  9.71           C  
-ATOM   4963  CD2 PHE B 302      11.586 124.337   1.755  1.00  9.60           C  
-ATOM   4964  CE1 PHE B 302       9.560 122.484   2.245  1.00 10.32           C  
-ATOM   4965  CE2 PHE B 302      11.050 123.570   0.698  1.00 10.62           C  
-ATOM   4966  CZ  PHE B 302      10.044 122.644   0.949  1.00  8.87           C  
-ATOM   4967  N   TRP B 303      14.573 123.919   3.320  1.00  8.68           N  
-ATOM   4968  CA  TRP B 303      15.417 123.377   2.258  1.00  9.99           C  
-ATOM   4969  C   TRP B 303      16.142 122.101   2.638  1.00 10.88           C  
-ATOM   4970  O   TRP B 303      16.223 121.177   1.823  1.00 10.91           O  
-ATOM   4971  CB  TRP B 303      16.418 124.424   1.752  1.00  9.42           C  
-ATOM   4972  CG  TRP B 303      15.783 125.722   1.302  1.00  9.75           C  
-ATOM   4973  CD1 TRP B 303      15.970 126.957   1.858  1.00  9.13           C  
-ATOM   4974  CD2 TRP B 303      14.868 125.910   0.206  1.00 10.81           C  
-ATOM   4975  NE1 TRP B 303      15.231 127.899   1.179  1.00 10.05           N  
-ATOM   4976  CE2 TRP B 303      14.547 127.288   0.161  1.00  9.12           C  
-ATOM   4977  CE3 TRP B 303      14.289 125.047  -0.743  1.00 10.79           C  
-ATOM   4978  CZ2 TRP B 303      13.670 127.829  -0.797  1.00 10.13           C  
-ATOM   4979  CZ3 TRP B 303      13.414 125.586  -1.703  1.00 12.76           C  
-ATOM   4980  CH2 TRP B 303      13.118 126.968  -1.716  1.00 12.07           C  
-ATOM   4981  N   GLN B 304      16.659 122.031   3.867  1.00 10.08           N  
-ATOM   4982  CA  GLN B 304      17.381 120.828   4.301  1.00  9.61           C  
-ATOM   4983  C   GLN B 304      16.462 119.788   4.910  1.00  9.11           C  
-ATOM   4984  O   GLN B 304      16.394 118.652   4.422  1.00  9.06           O  
-ATOM   4985  CB  GLN B 304      18.510 121.164   5.298  1.00  8.83           C  
-ATOM   4986  CG  GLN B 304      19.644 122.071   4.751  1.00  8.59           C  
-ATOM   4987  CD  GLN B 304      20.622 121.329   3.854  1.00  9.07           C  
-ATOM   4988  OE1 GLN B 304      20.262 120.353   3.203  1.00  8.47           O  
-ATOM   4989  NE2 GLN B 304      21.877 121.788   3.821  1.00  8.51           N  
-ATOM   4990  N   ALA B 305      15.729 120.172   5.954  1.00  8.70           N  
-ATOM   4991  CA  ALA B 305      14.846 119.215   6.625  1.00 10.39           C  
-ATOM   4992  C   ALA B 305      13.807 118.623   5.684  1.00 10.45           C  
-ATOM   4993  O   ALA B 305      13.421 117.459   5.838  1.00 10.70           O  
-ATOM   4994  CB  ALA B 305      14.176 119.849   7.847  1.00  9.43           C  
-ATOM   4995  N   GLY B 306      13.356 119.429   4.719  1.00 10.64           N  
-ATOM   4996  CA  GLY B 306      12.384 118.982   3.729  1.00  9.71           C  
-ATOM   4997  C   GLY B 306      12.909 117.813   2.901  1.00  9.94           C  
-ATOM   4998  O   GLY B 306      12.123 117.065   2.314  1.00 11.37           O  
-ATOM   4999  N   LEU B 307      14.226 117.648   2.829  1.00  9.62           N  
-ATOM   5000  CA  LEU B 307      14.802 116.515   2.100  1.00 10.03           C  
-ATOM   5001  C   LEU B 307      14.502 115.185   2.798  1.00 10.22           C  
-ATOM   5002  O   LEU B 307      14.467 114.141   2.151  1.00 10.46           O  
-ATOM   5003  CB  LEU B 307      16.316 116.670   1.968  1.00  9.76           C  
-ATOM   5004  CG  LEU B 307      16.819 117.741   0.996  1.00  9.61           C  
-ATOM   5005  CD1 LEU B 307      18.302 118.048   1.248  1.00  9.43           C  
-ATOM   5006  CD2 LEU B 307      16.570 117.274  -0.445  1.00  9.31           C  
-ATOM   5007  N   LEU B 308      14.305 115.198   4.115  1.00 10.18           N  
-ATOM   5008  CA  LEU B 308      14.026 113.938   4.820  1.00 10.01           C  
-ATOM   5009  C   LEU B 308      12.701 113.275   4.408  1.00 10.20           C  
-ATOM   5010  O   LEU B 308      12.649 112.048   4.250  1.00 10.49           O  
-ATOM   5011  CB  LEU B 308      14.185 114.080   6.343  1.00  9.62           C  
-ATOM   5012  CG  LEU B 308      15.636 114.066   6.887  1.00  9.17           C  
-ATOM   5013  CD1 LEU B 308      16.458 112.921   6.279  1.00 10.99           C  
-ATOM   5014  CD2 LEU B 308      16.338 115.399   6.636  1.00  8.85           C  
-ATOM   5015  N   PRO B 309      11.600 114.053   4.295  1.00 10.71           N  
-ATOM   5016  CA  PRO B 309      10.345 113.412   3.876  1.00 11.16           C  
-ATOM   5017  C   PRO B 309      10.508 112.877   2.443  1.00 11.39           C  
-ATOM   5018  O   PRO B 309       9.949 111.831   2.094  1.00 11.34           O  
-ATOM   5019  CB  PRO B 309       9.346 114.565   3.912  1.00 10.53           C  
-ATOM   5020  CG  PRO B 309       9.831 115.380   5.028  1.00 10.60           C  
-ATOM   5021  CD  PRO B 309      11.329 115.389   4.863  1.00 10.31           C  
-ATOM   5022  N   LEU B 310      11.290 113.584   1.623  1.00 11.16           N  
-ATOM   5023  CA  LEU B 310      11.536 113.154   0.235  1.00 11.82           C  
-ATOM   5024  C   LEU B 310      12.353 111.855   0.188  1.00 12.06           C  
-ATOM   5025  O   LEU B 310      12.041 110.943  -0.580  1.00 14.39           O  
-ATOM   5026  CB  LEU B 310      12.240 114.252  -0.563  1.00 10.63           C  
-ATOM   5027  CG  LEU B 310      11.453 115.555  -0.730  1.00 10.52           C  
-ATOM   5028  CD1 LEU B 310      12.282 116.556  -1.540  1.00 10.16           C  
-ATOM   5029  CD2 LEU B 310      10.120 115.270  -1.414  1.00  9.94           C  
-ATOM   5030  N   LEU B 311      13.398 111.773   1.005  1.00 11.51           N  
-ATOM   5031  CA  LEU B 311      14.228 110.570   1.080  1.00 11.67           C  
-ATOM   5032  C   LEU B 311      13.403 109.406   1.633  1.00 11.95           C  
-ATOM   5033  O   LEU B 311      13.511 108.280   1.155  1.00 12.70           O  
-ATOM   5034  CB  LEU B 311      15.469 110.823   1.948  1.00  9.66           C  
-ATOM   5035  CG  LEU B 311      16.557 111.647   1.240  1.00 12.33           C  
-ATOM   5036  CD1 LEU B 311      17.580 112.171   2.244  1.00  8.63           C  
-ATOM   5037  CD2 LEU B 311      17.226 110.792   0.159  1.00 12.94           C  
-ATOM   5038  N   HIS B 312      12.578 109.674   2.637  1.00 11.47           N  
-ATOM   5039  CA  HIS B 312      11.721 108.640   3.215  1.00 14.52           C  
-ATOM   5040  C   HIS B 312      10.826 108.010   2.126  1.00 15.66           C  
-ATOM   5041  O   HIS B 312      10.734 106.794   2.018  1.00 14.89           O  
-ATOM   5042  CB  HIS B 312      10.834 109.240   4.315  1.00 17.11           C  
-ATOM   5043  CG  HIS B 312      10.114 108.209   5.133  1.00 22.68           C  
-ATOM   5044  ND1 HIS B 312      10.611 107.737   6.327  1.00 20.86           N  
-ATOM   5045  CD2 HIS B 312       8.962 107.528   4.910  1.00 24.63           C  
-ATOM   5046  CE1 HIS B 312       9.801 106.811   6.808  1.00 22.85           C  
-ATOM   5047  NE2 HIS B 312       8.792 106.664   5.965  1.00 25.17           N  
-ATOM   5048  N   ARG B 313      10.137 108.857   1.367  1.00 16.76           N  
-ATOM   5049  CA  ARG B 313       9.257 108.443   0.280  1.00 19.84           C  
-ATOM   5050  C   ARG B 313      10.037 107.602  -0.730  1.00 18.51           C  
-ATOM   5051  O   ARG B 313       9.586 106.525  -1.124  1.00 19.78           O  
-ATOM   5052  CB  ARG B 313       8.668 109.704  -0.387  1.00 26.91           C  
-ATOM   5053  CG  ARG B 313       7.868 109.498  -1.671  1.00 37.63           C  
-ATOM   5054  CD  ARG B 313       6.609 108.650  -1.459  1.00 46.25           C  
-ATOM   5055  NE  ARG B 313       5.590 109.308  -0.632  1.00 52.84           N  
-ATOM   5056  CZ  ARG B 313       4.289 109.372  -0.938  1.00 55.34           C  
-ATOM   5057  NH1 ARG B 313       3.827 108.824  -2.061  1.00 55.41           N  
-ATOM   5058  NH2 ARG B 313       3.440 109.975  -0.108  1.00 55.90           N  
-ATOM   5059  N   ALA B 314      11.229 108.071  -1.096  1.00 16.50           N  
-ATOM   5060  CA  ALA B 314      12.094 107.392  -2.053  1.00 16.46           C  
-ATOM   5061  C   ALA B 314      12.526 106.001  -1.591  1.00 18.86           C  
-ATOM   5062  O   ALA B 314      12.414 105.021  -2.344  1.00 18.70           O  
-ATOM   5063  CB  ALA B 314      13.325 108.256  -2.345  1.00 17.03           C  
-ATOM   5064  N   LEU B 315      13.034 105.913  -0.362  1.00 17.87           N  
-ATOM   5065  CA  LEU B 315      13.483 104.637   0.196  1.00 18.30           C  
-ATOM   5066  C   LEU B 315      12.319 103.677   0.400  1.00 19.85           C  
-ATOM   5067  O   LEU B 315      12.451 102.471   0.179  1.00 20.63           O  
-ATOM   5068  CB  LEU B 315      14.232 104.864   1.512  1.00 15.51           C  
-ATOM   5069  CG  LEU B 315      15.505 105.692   1.332  1.00 17.29           C  
-ATOM   5070  CD1 LEU B 315      16.083 106.071   2.687  1.00 16.92           C  
-ATOM   5071  CD2 LEU B 315      16.531 104.943   0.479  1.00 17.69           C  
-ATOM   5072  N   HIS B 316      11.174 104.222   0.801  1.00 22.46           N  
-ATOM   5073  CA  HIS B 316       9.967 103.443   1.030  1.00 26.02           C  
-ATOM   5074  C   HIS B 316       9.496 102.802  -0.280  1.00 28.95           C  
-ATOM   5075  O   HIS B 316       9.005 101.665  -0.282  1.00 29.68           O  
-ATOM   5076  CB  HIS B 316       8.872 104.336   1.600  1.00 26.26           C  
-ATOM   5077  CG  HIS B 316       7.593 103.616   1.878  1.00 31.87           C  
-ATOM   5078  ND1 HIS B 316       7.479 102.652   2.856  1.00 33.64           N  
-ATOM   5079  CD2 HIS B 316       6.366 103.731   1.318  1.00 33.34           C  
-ATOM   5080  CE1 HIS B 316       6.235 102.207   2.890  1.00 33.29           C  
-ATOM   5081  NE2 HIS B 316       5.540 102.846   1.967  1.00 33.32           N  
-ATOM   5082  N   ALA B 317       9.637 103.543  -1.379  1.00 29.29           N  
-ATOM   5083  CA  ALA B 317       9.254 103.068  -2.706  1.00 29.95           C  
-ATOM   5084  C   ALA B 317      10.108 101.860  -3.067  1.00 30.28           C  
-ATOM   5085  O   ALA B 317       9.636 100.947  -3.737  1.00 31.16           O  
-ATOM   5086  CB  ALA B 317       9.439 104.168  -3.735  1.00 27.86           C  
-ATOM   5087  N   GLN B 318      11.364 101.865  -2.629  1.00 31.65           N  
-ATOM   5088  CA  GLN B 318      12.283 100.751  -2.877  1.00 32.99           C  
-ATOM   5089  C   GLN B 318      12.088  99.616  -1.864  1.00 32.83           C  
-ATOM   5090  O   GLN B 318      12.838  98.650  -1.880  1.00 33.45           O  
-ATOM   5091  CB  GLN B 318      13.730 101.209  -2.788  1.00 33.21           C  
-ATOM   5092  CG  GLN B 318      14.089 102.289  -3.750  1.00 37.62           C  
-ATOM   5093  CD  GLN B 318      15.504 102.785  -3.554  1.00 39.18           C  
-ATOM   5094  OE1 GLN B 318      16.256 102.262  -2.725  1.00 40.88           O  
-ATOM   5095  NE2 GLN B 318      15.876 103.813  -4.309  1.00 41.50           N  
-ATOM   5096  N   GLY B 319      11.128  99.765  -0.954  1.00 32.12           N  
-ATOM   5097  CA  GLY B 319      10.871  98.737   0.038  1.00 31.14           C  
-ATOM   5098  C   GLY B 319      11.940  98.587   1.111  1.00 31.64           C  
-ATOM   5099  O   GLY B 319      12.301  97.468   1.488  1.00 33.45           O  
-ATOM   5100  N   ASP B 320      12.477  99.706   1.584  1.00 28.70           N  
-ATOM   5101  CA  ASP B 320      13.492  99.691   2.630  1.00 23.94           C  
-ATOM   5102  C   ASP B 320      12.809  99.195   3.914  1.00 22.64           C  
-ATOM   5103  O   ASP B 320      11.970  99.899   4.485  1.00 23.99           O  
-ATOM   5104  CB  ASP B 320      14.004 101.109   2.827  1.00 20.92           C  
-ATOM   5105  CG  ASP B 320      15.232 101.171   3.702  1.00 20.98           C  
-ATOM   5106  OD1 ASP B 320      15.330 100.387   4.668  1.00 17.99           O  
-ATOM   5107  OD2 ASP B 320      16.107 102.014   3.417  1.00 18.46           O  
-ATOM   5108  N   PRO B 321      13.216  98.016   4.429  1.00 21.33           N  
-ATOM   5109  CA  PRO B 321      12.612  97.464   5.644  1.00 20.02           C  
-ATOM   5110  C   PRO B 321      13.041  98.120   6.969  1.00 19.53           C  
-ATOM   5111  O   PRO B 321      12.441  97.862   8.013  1.00 20.03           O  
-ATOM   5112  CB  PRO B 321      13.042  95.999   5.579  1.00 20.16           C  
-ATOM   5113  CG  PRO B 321      14.421  96.103   5.056  1.00 21.15           C  
-ATOM   5114  CD  PRO B 321      14.290  97.131   3.937  1.00 20.67           C  
-ATOM   5115  N   ALA B 322      14.049  98.987   6.929  1.00 16.35           N  
-ATOM   5116  CA  ALA B 322      14.546  99.626   8.141  1.00 14.89           C  
-ATOM   5117  C   ALA B 322      14.028 101.031   8.392  1.00 14.62           C  
-ATOM   5118  O   ALA B 322      14.361 101.643   9.398  1.00 13.23           O  
-ATOM   5119  CB  ALA B 322      16.067  99.626   8.124  1.00 14.78           C  
-ATOM   5120  N   LEU B 323      13.194 101.546   7.499  1.00 15.20           N  
-ATOM   5121  CA  LEU B 323      12.675 102.903   7.675  1.00 15.26           C  
-ATOM   5122  C   LEU B 323      11.772 103.023   8.887  1.00 14.89           C  
-ATOM   5123  O   LEU B 323      11.014 102.106   9.194  1.00 14.86           O  
-ATOM   5124  CB  LEU B 323      11.873 103.347   6.451  1.00 16.66           C  
-ATOM   5125  CG  LEU B 323      12.586 103.888   5.225  1.00 18.22           C  
-ATOM   5126  CD1 LEU B 323      11.507 104.290   4.226  1.00 20.19           C  
-ATOM   5127  CD2 LEU B 323      13.436 105.096   5.583  1.00 16.11           C  
-ATOM   5128  N   SER B 324      11.840 104.166   9.562  1.00 14.21           N  
-ATOM   5129  CA  SER B 324      10.992 104.426  10.720  1.00 15.43           C  
-ATOM   5130  C   SER B 324       9.548 104.556  10.266  1.00 17.06           C  
-ATOM   5131  O   SER B 324       9.278 104.934   9.121  1.00 16.72           O  
-ATOM   5132  CB  SER B 324      11.390 105.738  11.392  1.00 14.27           C  
-ATOM   5133  OG  SER B 324      10.409 106.153  12.329  1.00 14.28           O  
-ATOM   5134  N   MET B 325       8.625 104.232  11.162  1.00 18.82           N  
-ATOM   5135  CA  MET B 325       7.207 104.363  10.874  1.00 21.04           C  
-ATOM   5136  C   MET B 325       6.617 105.482  11.723  1.00 17.91           C  
-ATOM   5137  O   MET B 325       5.403 105.618  11.810  1.00 16.75           O  
-ATOM   5138  CB  MET B 325       6.480 103.054  11.165  1.00 26.92           C  
-ATOM   5139  CG  MET B 325       6.870 101.932  10.223  1.00 37.49           C  
-ATOM   5140  SD  MET B 325       6.120 100.371  10.725  1.00 50.82           S  
-ATOM   5141  CE  MET B 325       7.435  99.726  11.861  1.00 47.67           C  
-ATOM   5142  N   SER B 326       7.469 106.313  12.311  1.00 15.59           N  
-ATOM   5143  CA  SER B 326       6.970 107.386  13.155  1.00 14.79           C  
-ATOM   5144  C   SER B 326       7.781 108.696  13.141  1.00 13.77           C  
-ATOM   5145  O   SER B 326       7.274 109.737  13.582  1.00 13.46           O  
-ATOM   5146  CB  SER B 326       6.854 106.870  14.592  1.00 16.77           C  
-ATOM   5147  OG  SER B 326       8.123 106.425  15.060  1.00 17.83           O  
-ATOM   5148  N   HIS B 327       9.023 108.657  12.654  1.00 12.33           N  
-ATOM   5149  CA  HIS B 327       9.865 109.857  12.632  1.00 12.53           C  
-ATOM   5150  C   HIS B 327      10.667 110.056  11.352  1.00 11.37           C  
-ATOM   5151  O   HIS B 327      11.001 109.092  10.673  1.00 11.47           O  
-ATOM   5152  CB  HIS B 327      10.876 109.824  13.784  1.00 14.38           C  
-ATOM   5153  CG  HIS B 327      10.256 109.935  15.142  1.00 18.85           C  
-ATOM   5154  ND1 HIS B 327       9.885 108.832  15.882  1.00 21.09           N  
-ATOM   5155  CD2 HIS B 327       9.924 111.016  15.886  1.00 19.58           C  
-ATOM   5156  CE1 HIS B 327       9.349 109.229  17.022  1.00 20.08           C  
-ATOM   5157  NE2 HIS B 327       9.362 110.549  17.049  1.00 22.16           N  
-ATOM   5158  N   TRP B 328      10.979 111.317  11.048  1.00 10.44           N  
-ATOM   5159  CA  TRP B 328      11.819 111.675   9.905  1.00 10.33           C  
-ATOM   5160  C   TRP B 328      13.226 111.436  10.440  1.00 11.40           C  
-ATOM   5161  O   TRP B 328      13.437 111.468  11.658  1.00 11.50           O  
-ATOM   5162  CB  TRP B 328      11.694 113.166   9.552  1.00  8.90           C  
-ATOM   5163  CG  TRP B 328      10.335 113.602   9.132  1.00  8.80           C  
-ATOM   5164  CD1 TRP B 328       9.643 114.679   9.611  1.00  8.36           C  
-ATOM   5165  CD2 TRP B 328       9.506 113.005   8.116  1.00  8.77           C  
-ATOM   5166  NE1 TRP B 328       8.435 114.794   8.956  1.00  9.76           N  
-ATOM   5167  CE2 TRP B 328       8.323 113.781   8.036  1.00 10.82           C  
-ATOM   5168  CE3 TRP B 328       9.647 111.890   7.267  1.00 10.55           C  
-ATOM   5169  CZ2 TRP B 328       7.275 113.475   7.137  1.00 10.67           C  
-ATOM   5170  CZ3 TRP B 328       8.610 111.583   6.374  1.00 10.51           C  
-ATOM   5171  CH2 TRP B 328       7.434 112.377   6.319  1.00 10.91           C  
-ATOM   5172  N   MET B 329      14.195 111.257   9.550  1.00 10.97           N  
-ATOM   5173  CA  MET B 329      15.555 111.005   9.977  1.00 11.26           C  
-ATOM   5174  C   MET B 329      16.389 112.224  10.305  1.00 11.57           C  
-ATOM   5175  O   MET B 329      17.495 112.391   9.779  1.00 12.62           O  
-ATOM   5176  CB  MET B 329      16.290 110.100   8.988  1.00 11.98           C  
-ATOM   5177  CG  MET B 329      15.849 108.655   9.092  1.00 15.96           C  
-ATOM   5178  SD  MET B 329      16.603 107.516   7.890  1.00 16.10           S  
-ATOM   5179  CE  MET B 329      15.814 108.051   6.331  1.00 14.00           C  
-ATOM   5180  N   PHE B 330      15.823 113.110  11.117  1.00 10.94           N  
-ATOM   5181  CA  PHE B 330      16.534 114.288  11.623  1.00 10.46           C  
-ATOM   5182  C   PHE B 330      15.940 114.519  13.013  1.00 10.40           C  
-ATOM   5183  O   PHE B 330      14.941 113.878  13.378  1.00 11.88           O  
-ATOM   5184  CB  PHE B 330      16.449 115.547  10.704  1.00  9.78           C  
-ATOM   5185  CG  PHE B 330      15.096 116.220  10.664  1.00 11.40           C  
-ATOM   5186  CD1 PHE B 330      14.799 117.271  11.534  1.00 11.27           C  
-ATOM   5187  CD2 PHE B 330      14.131 115.820   9.736  1.00 11.16           C  
-ATOM   5188  CE1 PHE B 330      13.558 117.910  11.480  1.00  9.52           C  
-ATOM   5189  CE2 PHE B 330      12.890 116.453   9.670  1.00 10.16           C  
-ATOM   5190  CZ  PHE B 330      12.601 117.505  10.549  1.00 11.31           C  
-ATOM   5191  N   HIS B 331      16.547 115.403  13.795  1.00  9.86           N  
-ATOM   5192  CA  HIS B 331      16.053 115.659  15.143  1.00 10.60           C  
-ATOM   5193  C   HIS B 331      14.905 116.650  15.057  1.00  9.51           C  
-ATOM   5194  O   HIS B 331      15.112 117.869  15.051  1.00  8.52           O  
-ATOM   5195  CB  HIS B 331      17.172 116.192  16.042  1.00  9.94           C  
-ATOM   5196  CG  HIS B 331      16.986 115.861  17.489  1.00 10.64           C  
-ATOM   5197  ND1 HIS B 331      15.964 116.383  18.251  1.00 11.23           N  
-ATOM   5198  CD2 HIS B 331      17.701 115.063  18.317  1.00 11.77           C  
-ATOM   5199  CE1 HIS B 331      16.059 115.929  19.489  1.00 10.77           C  
-ATOM   5200  NE2 HIS B 331      17.104 115.123  19.554  1.00 12.16           N  
-ATOM   5201  N   GLN B 332      13.693 116.110  15.001  1.00 10.07           N  
-ATOM   5202  CA  GLN B 332      12.491 116.924  14.893  1.00 11.05           C  
-ATOM   5203  C   GLN B 332      12.318 117.906  16.042  1.00 12.92           C  
-ATOM   5204  O   GLN B 332      11.967 119.078  15.832  1.00 11.64           O  
-ATOM   5205  CB  GLN B 332      11.264 116.024  14.759  1.00 10.52           C  
-ATOM   5206  CG  GLN B 332      11.160 115.403  13.377  1.00  8.96           C  
-ATOM   5207  CD  GLN B 332      10.138 114.302  13.321  1.00 11.72           C  
-ATOM   5208  OE1 GLN B 332      10.497 113.127  13.251  1.00 11.42           O  
-ATOM   5209  NE2 GLN B 332       8.858 114.661  13.370  1.00  8.17           N  
-ATOM   5210  N   GLN B 333      12.586 117.437  17.257  1.00 12.47           N  
-ATOM   5211  CA  GLN B 333      12.450 118.298  18.418  1.00 13.02           C  
-ATOM   5212  C   GLN B 333      13.457 119.445  18.410  1.00 11.69           C  
-ATOM   5213  O   GLN B 333      13.091 120.597  18.629  1.00 11.06           O  
-ATOM   5214  CB  GLN B 333      12.570 117.496  19.714  1.00 15.09           C  
-ATOM   5215  CG  GLN B 333      12.221 118.349  20.921  1.00 24.18           C  
-ATOM   5216  CD  GLN B 333      12.397 117.629  22.252  1.00 28.81           C  
-ATOM   5217  OE1 GLN B 333      12.561 116.400  22.297  1.00 34.47           O  
-ATOM   5218  NE2 GLN B 333      12.369 118.390  23.342  1.00 23.01           N  
-ATOM   5219  N   ALA B 334      14.721 119.138  18.143  1.00  9.97           N  
-ATOM   5220  CA  ALA B 334      15.745 120.179  18.136  1.00 10.77           C  
-ATOM   5221  C   ALA B 334      15.462 121.249  17.081  1.00 11.80           C  
-ATOM   5222  O   ALA B 334      15.689 122.445  17.326  1.00 11.45           O  
-ATOM   5223  CB  ALA B 334      17.136 119.577  17.926  1.00 11.26           C  
-ATOM   5224  N   LEU B 335      14.967 120.835  15.912  1.00  9.23           N  
-ATOM   5225  CA  LEU B 335      14.673 121.826  14.879  1.00  9.45           C  
-ATOM   5226  C   LEU B 335      13.559 122.746  15.373  1.00  8.96           C  
-ATOM   5227  O   LEU B 335      13.645 123.966  15.219  1.00  9.55           O  
-ATOM   5228  CB  LEU B 335      14.288 121.158  13.552  1.00 10.22           C  
-ATOM   5229  CG  LEU B 335      13.954 122.184  12.450  1.00 10.01           C  
-ATOM   5230  CD1 LEU B 335      15.138 123.134  12.242  1.00  9.46           C  
-ATOM   5231  CD2 LEU B 335      13.552 121.496  11.153  1.00  8.44           C  
-ATOM   5232  N   GLN B 336      12.532 122.175  16.008  1.00  9.52           N  
-ATOM   5233  CA  GLN B 336      11.429 122.996  16.526  1.00 10.16           C  
-ATOM   5234  C   GLN B 336      11.944 123.964  17.601  1.00 10.40           C  
-ATOM   5235  O   GLN B 336      11.521 125.116  17.668  1.00 11.59           O  
-ATOM   5236  CB  GLN B 336      10.298 122.118  17.076  1.00 10.69           C  
-ATOM   5237  CG  GLN B 336       9.623 121.248  16.013  1.00  9.80           C  
-ATOM   5238  CD  GLN B 336       8.484 120.427  16.576  1.00 11.74           C  
-ATOM   5239  OE1 GLN B 336       7.583 120.957  17.221  1.00 13.28           O  
-ATOM   5240  NE2 GLN B 336       8.498 119.133  16.306  1.00 12.21           N  
-ATOM   5241  N   GLU B 337      12.905 123.510  18.400  1.00 11.24           N  
-ATOM   5242  CA  GLU B 337      13.474 124.357  19.451  1.00 11.10           C  
-ATOM   5243  C   GLU B 337      14.209 125.546  18.860  1.00 10.91           C  
-ATOM   5244  O   GLU B 337      14.022 126.684  19.301  1.00 11.35           O  
-ATOM   5245  CB  GLU B 337      14.384 123.533  20.362  1.00  9.01           C  
-ATOM   5246  CG  GLU B 337      13.569 122.566  21.207  1.00 11.91           C  
-ATOM   5247  CD  GLU B 337      14.402 121.672  22.096  1.00 15.27           C  
-ATOM   5248  OE1 GLU B 337      15.604 121.950  22.268  1.00 14.48           O  
-ATOM   5249  OE2 GLU B 337      13.845 120.684  22.623  1.00 13.62           O  
-ATOM   5250  N   TYR B 338      15.022 125.285  17.839  1.00 10.78           N  
-ATOM   5251  CA  TYR B 338      15.750 126.351  17.187  1.00  9.84           C  
-ATOM   5252  C   TYR B 338      14.787 127.373  16.565  1.00 10.72           C  
-ATOM   5253  O   TYR B 338      14.951 128.580  16.755  1.00 11.20           O  
-ATOM   5254  CB  TYR B 338      16.703 125.801  16.121  1.00 10.69           C  
-ATOM   5255  CG  TYR B 338      17.416 126.909  15.401  1.00  9.66           C  
-ATOM   5256  CD1 TYR B 338      18.408 127.652  16.051  1.00 10.39           C  
-ATOM   5257  CD2 TYR B 338      17.031 127.294  14.115  1.00 11.34           C  
-ATOM   5258  CE1 TYR B 338      18.991 128.750  15.455  1.00 10.16           C  
-ATOM   5259  CE2 TYR B 338      17.612 128.413  13.496  1.00 11.08           C  
-ATOM   5260  CZ  TYR B 338      18.586 129.131  14.178  1.00 11.26           C  
-ATOM   5261  OH  TYR B 338      19.136 130.254  13.616  1.00 12.09           O  
-ATOM   5262  N   ILE B 339      13.771 126.911  15.841  1.00  9.91           N  
-ATOM   5263  CA  ILE B 339      12.836 127.840  15.208  1.00  9.90           C  
-ATOM   5264  C   ILE B 339      12.039 128.650  16.238  1.00 10.87           C  
-ATOM   5265  O   ILE B 339      12.003 129.878  16.180  1.00 10.71           O  
-ATOM   5266  CB  ILE B 339      11.850 127.101  14.270  1.00 11.38           C  
-ATOM   5267  CG1 ILE B 339      12.608 126.420  13.118  1.00  9.54           C  
-ATOM   5268  CG2 ILE B 339      10.783 128.070  13.738  1.00 10.30           C  
-ATOM   5269  CD1 ILE B 339      11.737 125.480  12.312  1.00  9.02           C  
-ATOM   5270  N   LEU B 340      11.431 127.966  17.197  1.00 10.93           N  
-ATOM   5271  CA  LEU B 340      10.614 128.648  18.197  1.00 10.77           C  
-ATOM   5272  C   LEU B 340      11.377 129.587  19.119  1.00 11.71           C  
-ATOM   5273  O   LEU B 340      10.894 130.673  19.423  1.00 11.70           O  
-ATOM   5274  CB  LEU B 340       9.795 127.645  19.023  1.00 10.56           C  
-ATOM   5275  CG  LEU B 340       8.735 126.855  18.244  1.00 10.80           C  
-ATOM   5276  CD1 LEU B 340       8.121 125.768  19.125  1.00 10.13           C  
-ATOM   5277  CD2 LEU B 340       7.669 127.800  17.667  1.00  9.86           C  
-ATOM   5278  N   MET B 341      12.556 129.172  19.569  1.00 11.31           N  
-ATOM   5279  CA  MET B 341      13.342 130.004  20.470  1.00 12.36           C  
-ATOM   5280  C   MET B 341      14.234 131.027  19.810  1.00 13.04           C  
-ATOM   5281  O   MET B 341      14.421 132.108  20.360  1.00 13.31           O  
-ATOM   5282  CB  MET B 341      14.214 129.149  21.397  1.00 12.18           C  
-ATOM   5283  CG  MET B 341      13.429 128.405  22.476  1.00 13.34           C  
-ATOM   5284  SD  MET B 341      14.533 127.609  23.659  1.00 15.66           S  
-ATOM   5285  CE  MET B 341      14.949 126.093  22.763  1.00 13.78           C  
-ATOM   5286  N   CYS B 342      14.760 130.720  18.627  1.00 11.94           N  
-ATOM   5287  CA  CYS B 342      15.702 131.632  17.984  1.00 11.67           C  
-ATOM   5288  C   CYS B 342      15.273 132.346  16.715  1.00 12.72           C  
-ATOM   5289  O   CYS B 342      15.897 133.330  16.332  1.00 14.06           O  
-ATOM   5290  CB  CYS B 342      17.012 130.892  17.682  1.00 12.47           C  
-ATOM   5291  SG  CYS B 342      17.735 129.974  19.054  1.00 14.88           S  
-ATOM   5292  N   CYS B 343      14.211 131.885  16.067  1.00 13.16           N  
-ATOM   5293  CA  CYS B 343      13.818 132.489  14.795  1.00 12.98           C  
-ATOM   5294  C   CYS B 343      12.559 133.337  14.746  1.00 13.28           C  
-ATOM   5295  O   CYS B 343      12.109 133.695  13.663  1.00 12.90           O  
-ATOM   5296  CB  CYS B 343      13.746 131.406  13.709  1.00 11.81           C  
-ATOM   5297  SG  CYS B 343      15.291 130.497  13.476  1.00 12.83           S  
-ATOM   5298  N   GLN B 344      11.976 133.666  15.891  1.00 12.77           N  
-ATOM   5299  CA  GLN B 344      10.781 134.490  15.863  1.00 13.25           C  
-ATOM   5300  C   GLN B 344      11.095 135.923  16.212  1.00 15.08           C  
-ATOM   5301  O   GLN B 344      11.840 136.191  17.147  1.00 13.96           O  
-ATOM   5302  CB  GLN B 344       9.732 133.981  16.848  1.00 13.63           C  
-ATOM   5303  CG  GLN B 344       9.265 132.571  16.577  1.00 14.50           C  
-ATOM   5304  CD  GLN B 344       8.135 132.191  17.485  1.00 15.05           C  
-ATOM   5305  OE1 GLN B 344       8.340 131.578  18.533  1.00 16.80           O  
-ATOM   5306  NE2 GLN B 344       6.934 132.602  17.128  1.00 11.35           N  
-ATOM   5307  N   CYS B 345      10.560 136.846  15.431  1.00 14.93           N  
-ATOM   5308  CA  CYS B 345      10.739 138.255  15.719  1.00 17.34           C  
-ATOM   5309  C   CYS B 345       9.591 138.594  16.673  1.00 18.81           C  
-ATOM   5310  O   CYS B 345       8.431 138.237  16.414  1.00 19.12           O  
-ATOM   5311  CB  CYS B 345      10.628 139.078  14.441  1.00 16.90           C  
-ATOM   5312  SG  CYS B 345      10.583 140.844  14.755  1.00 21.23           S  
-ATOM   5313  N   PRO B 346       9.903 139.211  17.830  1.00 21.33           N  
-ATOM   5314  CA  PRO B 346       8.850 139.567  18.790  1.00 22.73           C  
-ATOM   5315  C   PRO B 346       7.735 140.416  18.175  1.00 22.50           C  
-ATOM   5316  O   PRO B 346       6.593 140.341  18.609  1.00 25.86           O  
-ATOM   5317  CB  PRO B 346       9.616 140.311  19.893  1.00 23.43           C  
-ATOM   5318  CG  PRO B 346      10.895 140.759  19.219  1.00 25.13           C  
-ATOM   5319  CD  PRO B 346      11.232 139.577  18.347  1.00 22.77           C  
-ATOM   5320  N   ALA B 347       8.062 141.174  17.130  1.00 21.68           N  
-ATOM   5321  CA  ALA B 347       7.091 142.028  16.433  1.00 21.79           C  
-ATOM   5322  C   ALA B 347       6.277 141.292  15.355  1.00 21.57           C  
-ATOM   5323  O   ALA B 347       5.408 141.896  14.723  1.00 23.10           O  
-ATOM   5324  CB  ALA B 347       7.823 143.202  15.788  1.00 20.25           C  
-ATOM   5325  N   GLY B 348       6.540 139.998  15.153  1.00 20.29           N  
-ATOM   5326  CA  GLY B 348       5.854 139.247  14.111  1.00 16.34           C  
-ATOM   5327  C   GLY B 348       6.869 138.959  13.005  1.00 16.65           C  
-ATOM   5328  O   GLY B 348       7.766 139.767  12.754  1.00 16.30           O  
-ATOM   5329  N   GLY B 349       6.709 137.842  12.306  1.00 14.08           N  
-ATOM   5330  CA  GLY B 349       7.671 137.484  11.277  1.00 13.00           C  
-ATOM   5331  C   GLY B 349       8.759 136.582  11.840  1.00 12.69           C  
-ATOM   5332  O   GLY B 349       8.951 136.515  13.060  1.00 12.03           O  
-ATOM   5333  N   LEU B 350       9.405 135.813  10.968  1.00 12.43           N  
-ATOM   5334  CA  LEU B 350      10.473 134.931  11.392  1.00 11.52           C  
-ATOM   5335  C   LEU B 350      11.768 135.298  10.685  1.00 13.66           C  
-ATOM   5336  O   LEU B 350      11.781 136.111   9.741  1.00 12.62           O  
-ATOM   5337  CB  LEU B 350      10.096 133.452  11.253  1.00 10.84           C  
-ATOM   5338  CG  LEU B 350       8.979 133.022  12.220  1.00  8.99           C  
-ATOM   5339  CD1 LEU B 350       7.654 133.105  11.508  1.00 11.39           C  
-ATOM   5340  CD2 LEU B 350       9.187 131.599  12.729  1.00 10.99           C  
-ATOM   5341  N   LEU B 351      12.861 134.703  11.137  1.00 13.83           N  
-ATOM   5342  CA  LEU B 351      14.155 135.071  10.610  1.00 16.06           C  
-ATOM   5343  C   LEU B 351      15.236 134.004  10.539  1.00 14.81           C  
-ATOM   5344  O   LEU B 351      15.039 132.857  10.928  1.00 14.01           O  
-ATOM   5345  CB  LEU B 351      14.657 136.291  11.396  1.00 20.94           C  
-ATOM   5346  CG  LEU B 351      14.383 136.249  12.899  1.00 21.14           C  
-ATOM   5347  CD1 LEU B 351      15.518 135.545  13.593  1.00 25.94           C  
-ATOM   5348  CD2 LEU B 351      14.227 137.644  13.434  1.00 23.16           C  
-ATOM   5349  N   ASP B 352      16.365 134.410   9.968  1.00 12.92           N  
-ATOM   5350  CA  ASP B 352      17.547 133.576   9.774  1.00 11.91           C  
-ATOM   5351  C   ASP B 352      18.102 133.083  11.115  1.00 12.21           C  
-ATOM   5352  O   ASP B 352      18.163 131.872  11.361  1.00 10.29           O  
-ATOM   5353  CB  ASP B 352      18.551 134.430   8.968  1.00 11.21           C  
-ATOM   5354  CG  ASP B 352      19.983 133.900   8.962  1.00 12.77           C  
-ATOM   5355  OD1 ASP B 352      20.346 132.913   9.626  1.00 11.58           O  
-ATOM   5356  OD2 ASP B 352      20.789 134.545   8.271  1.00 14.10           O  
-ATOM   5357  N   LYS B 353      18.535 134.020  11.954  1.00 12.01           N  
-ATOM   5358  CA  LYS B 353      19.092 133.695  13.267  1.00 13.40           C  
-ATOM   5359  C   LYS B 353      18.980 134.963  14.105  1.00 14.52           C  
-ATOM   5360  O   LYS B 353      18.743 136.050  13.561  1.00 14.42           O  
-ATOM   5361  CB  LYS B 353      20.565 133.245  13.147  1.00 13.45           C  
-ATOM   5362  CG  LYS B 353      21.513 134.302  12.589  1.00 15.90           C  
-ATOM   5363  CD  LYS B 353      22.970 133.827  12.591  1.00 16.24           C  
-ATOM   5364  CE  LYS B 353      23.195 132.600  11.704  1.00 15.21           C  
-ATOM   5365  NZ  LYS B 353      23.063 132.875  10.226  1.00 13.16           N  
-ATOM   5366  N   PRO B 354      19.134 134.849  15.435  1.00 16.11           N  
-ATOM   5367  CA  PRO B 354      19.039 136.018  16.318  1.00 17.06           C  
-ATOM   5368  C   PRO B 354      19.970 137.127  15.836  1.00 18.63           C  
-ATOM   5369  O   PRO B 354      21.131 136.872  15.483  1.00 20.37           O  
-ATOM   5370  CB  PRO B 354      19.506 135.461  17.665  1.00 17.02           C  
-ATOM   5371  CG  PRO B 354      19.084 134.011  17.605  1.00 15.08           C  
-ATOM   5372  CD  PRO B 354      19.491 133.638  16.197  1.00 15.30           C  
-ATOM   5373  N   GLY B 355      19.462 138.350  15.789  1.00 19.91           N  
-ATOM   5374  CA  GLY B 355      20.290 139.452  15.340  1.00 21.84           C  
-ATOM   5375  C   GLY B 355      19.942 139.893  13.932  1.00 23.58           C  
-ATOM   5376  O   GLY B 355      20.272 141.010  13.521  1.00 23.34           O  
-ATOM   5377  N   LYS B 356      19.324 138.998  13.166  1.00 22.37           N  
-ATOM   5378  CA  LYS B 356      18.915 139.320  11.809  1.00 21.88           C  
-ATOM   5379  C   LYS B 356      17.512 139.917  11.863  1.00 22.80           C  
-ATOM   5380  O   LYS B 356      16.807 139.784  12.862  1.00 23.42           O  
-ATOM   5381  CB  LYS B 356      18.898 138.059  10.948  1.00 22.89           C  
-ATOM   5382  CG  LYS B 356      20.234 137.371  10.864  1.00 22.09           C  
-ATOM   5383  CD  LYS B 356      21.229 138.226  10.129  1.00 22.93           C  
-ATOM   5384  CE  LYS B 356      22.421 137.391   9.760  1.00 26.14           C  
-ATOM   5385  NZ  LYS B 356      23.349 138.157   8.922  1.00 31.02           N  
-ATOM   5386  N   SER B 357      17.108 140.585  10.796  1.00 22.15           N  
-ATOM   5387  CA  SER B 357      15.784 141.165  10.759  1.00 23.04           C  
-ATOM   5388  C   SER B 357      14.826 140.244  10.011  1.00 21.15           C  
-ATOM   5389  O   SER B 357      15.232 139.442   9.165  1.00 19.80           O  
-ATOM   5390  CB  SER B 357      15.834 142.545  10.116  1.00 26.57           C  
-ATOM   5391  OG  SER B 357      16.451 142.476   8.847  1.00 32.65           O  
-ATOM   5392  N   ARG B 358      13.556 140.335  10.365  1.00 19.38           N  
-ATOM   5393  CA  ARG B 358      12.528 139.516   9.747  1.00 17.75           C  
-ATOM   5394  C   ARG B 358      12.349 139.864   8.264  1.00 17.77           C  
-ATOM   5395  O   ARG B 358      12.680 140.962   7.817  1.00 15.93           O  
-ATOM   5396  CB  ARG B 358      11.200 139.770  10.461  1.00 17.80           C  
-ATOM   5397  CG  ARG B 358      10.700 141.202  10.278  1.00 17.70           C  
-ATOM   5398  CD  ARG B 358       9.417 141.459  11.036  1.00 18.93           C  
-ATOM   5399  NE  ARG B 358       8.914 142.819  10.819  1.00 20.72           N  
-ATOM   5400  CZ  ARG B 358       7.844 143.336  11.426  1.00 22.20           C  
-ATOM   5401  NH1 ARG B 358       7.152 142.619  12.303  1.00 22.50           N  
-ATOM   5402  NH2 ARG B 358       7.439 144.566  11.131  1.00 21.43           N  
-ATOM   5403  N   ASP B 359      11.867 138.900   7.496  1.00 15.34           N  
-ATOM   5404  CA  ASP B 359      11.557 139.122   6.096  1.00 14.88           C  
-ATOM   5405  C   ASP B 359      10.579 138.027   5.719  1.00 13.61           C  
-ATOM   5406  O   ASP B 359      10.461 137.016   6.434  1.00 13.91           O  
-ATOM   5407  CB  ASP B 359      12.799 139.175   5.191  1.00 15.28           C  
-ATOM   5408  CG  ASP B 359      13.649 137.927   5.268  1.00 17.08           C  
-ATOM   5409  OD1 ASP B 359      13.122 136.826   5.070  1.00 17.34           O  
-ATOM   5410  OD2 ASP B 359      14.858 138.053   5.505  1.00 19.21           O  
-ATOM   5411  N   PHE B 360       9.847 138.231   4.633  1.00 12.62           N  
-ATOM   5412  CA  PHE B 360       8.845 137.255   4.222  1.00 12.03           C  
-ATOM   5413  C   PHE B 360       9.415 135.916   3.783  1.00 10.69           C  
-ATOM   5414  O   PHE B 360       8.796 134.880   4.005  1.00 11.27           O  
-ATOM   5415  CB  PHE B 360       7.918 137.875   3.176  1.00 11.81           C  
-ATOM   5416  CG  PHE B 360       7.149 139.049   3.706  1.00 13.23           C  
-ATOM   5417  CD1 PHE B 360       7.455 140.348   3.300  1.00 14.43           C  
-ATOM   5418  CD2 PHE B 360       6.160 138.863   4.669  1.00 13.58           C  
-ATOM   5419  CE1 PHE B 360       6.781 141.449   3.855  1.00 15.67           C  
-ATOM   5420  CE2 PHE B 360       5.485 139.952   5.226  1.00 13.77           C  
-ATOM   5421  CZ  PHE B 360       5.796 141.241   4.819  1.00 14.81           C  
-ATOM   5422  N   TYR B 361      10.605 135.938   3.193  1.00 10.29           N  
-ATOM   5423  CA  TYR B 361      11.255 134.707   2.755  1.00 10.76           C  
-ATOM   5424  C   TYR B 361      11.511 133.785   3.974  1.00 10.48           C  
-ATOM   5425  O   TYR B 361      11.145 132.603   3.963  1.00  9.90           O  
-ATOM   5426  CB  TYR B 361      12.559 135.048   2.005  1.00  7.69           C  
-ATOM   5427  CG  TYR B 361      13.523 133.885   1.837  1.00 10.06           C  
-ATOM   5428  CD1 TYR B 361      13.373 132.961   0.794  1.00 10.50           C  
-ATOM   5429  CD2 TYR B 361      14.584 133.707   2.727  1.00  9.52           C  
-ATOM   5430  CE1 TYR B 361      14.266 131.882   0.651  1.00 11.68           C  
-ATOM   5431  CE2 TYR B 361      15.479 132.635   2.593  1.00  9.77           C  
-ATOM   5432  CZ  TYR B 361      15.316 131.732   1.558  1.00 11.25           C  
-ATOM   5433  OH  TYR B 361      16.215 130.693   1.428  1.00 13.20           O  
-ATOM   5434  N   HIS B 362      12.097 134.331   5.043  1.00 10.10           N  
-ATOM   5435  CA  HIS B 362      12.375 133.522   6.240  1.00 10.25           C  
-ATOM   5436  C   HIS B 362      11.095 133.153   6.982  1.00 10.22           C  
-ATOM   5437  O   HIS B 362      11.007 132.079   7.587  1.00 10.49           O  
-ATOM   5438  CB  HIS B 362      13.394 134.197   7.170  1.00  8.92           C  
-ATOM   5439  CG  HIS B 362      14.804 134.124   6.665  1.00 10.95           C  
-ATOM   5440  ND1 HIS B 362      15.394 135.148   5.956  1.00 10.81           N  
-ATOM   5441  CD2 HIS B 362      15.712 133.117   6.697  1.00 10.97           C  
-ATOM   5442  CE1 HIS B 362      16.601 134.775   5.562  1.00 12.36           C  
-ATOM   5443  NE2 HIS B 362      16.818 133.548   5.999  1.00 12.21           N  
-ATOM   5444  N   THR B 363      10.080 134.008   6.898  1.00  9.34           N  
-ATOM   5445  CA  THR B 363       8.817 133.698   7.551  1.00 10.06           C  
-ATOM   5446  C   THR B 363       8.227 132.461   6.881  1.00 11.23           C  
-ATOM   5447  O   THR B 363       7.833 131.503   7.556  1.00 12.47           O  
-ATOM   5448  CB  THR B 363       7.855 134.888   7.478  1.00  9.50           C  
-ATOM   5449  OG1 THR B 363       8.418 135.963   8.236  1.00 11.29           O  
-ATOM   5450  CG2 THR B 363       6.489 134.529   8.061  1.00 12.07           C  
-ATOM   5451  N   CYS B 364       8.271 132.438   5.553  1.00  9.56           N  
-ATOM   5452  CA  CYS B 364       7.749 131.314   4.799  1.00  9.66           C  
-ATOM   5453  C   CYS B 364       8.481 130.009   5.118  1.00 10.94           C  
-ATOM   5454  O   CYS B 364       7.863 129.026   5.553  1.00 12.22           O  
-ATOM   5455  CB  CYS B 364       7.839 131.605   3.288  1.00 10.79           C  
-ATOM   5456  SG  CYS B 364       7.409 130.208   2.192  1.00 12.25           S  
-ATOM   5457  N   TYR B 365       9.803 130.029   4.995  1.00  9.67           N  
-ATOM   5458  CA  TYR B 365      10.584 128.815   5.186  1.00  9.95           C  
-ATOM   5459  C   TYR B 365      10.782 128.315   6.608  1.00 10.27           C  
-ATOM   5460  O   TYR B 365      10.869 127.097   6.819  1.00  8.33           O  
-ATOM   5461  CB  TYR B 365      11.869 128.866   4.350  1.00  8.93           C  
-ATOM   5462  CG  TYR B 365      11.522 128.903   2.870  1.00  9.37           C  
-ATOM   5463  CD1 TYR B 365      11.657 130.077   2.133  1.00 10.24           C  
-ATOM   5464  CD2 TYR B 365      10.984 127.783   2.226  1.00  9.86           C  
-ATOM   5465  CE1 TYR B 365      11.262 130.141   0.786  1.00 10.81           C  
-ATOM   5466  CE2 TYR B 365      10.586 127.835   0.873  1.00 10.74           C  
-ATOM   5467  CZ  TYR B 365      10.731 129.021   0.168  1.00 10.13           C  
-ATOM   5468  OH  TYR B 365      10.353 129.106  -1.150  1.00 10.13           O  
-ATOM   5469  N   CYS B 366      10.805 129.227   7.580  1.00 10.34           N  
-ATOM   5470  CA  CYS B 366      10.908 128.812   8.981  1.00  9.96           C  
-ATOM   5471  C   CYS B 366       9.610 128.094   9.342  1.00  9.71           C  
-ATOM   5472  O   CYS B 366       9.641 127.038   9.965  1.00  9.74           O  
-ATOM   5473  CB  CYS B 366      11.104 130.005   9.917  1.00  9.75           C  
-ATOM   5474  SG  CYS B 366      12.773 130.637   9.994  1.00 12.13           S  
-ATOM   5475  N   LEU B 367       8.472 128.637   8.905  1.00  9.80           N  
-ATOM   5476  CA  LEU B 367       7.182 128.010   9.198  1.00 10.00           C  
-ATOM   5477  C   LEU B 367       7.037 126.697   8.434  1.00 10.63           C  
-ATOM   5478  O   LEU B 367       6.527 125.713   8.971  1.00  9.08           O  
-ATOM   5479  CB  LEU B 367       6.015 128.956   8.879  1.00 10.57           C  
-ATOM   5480  CG  LEU B 367       5.888 130.199   9.781  1.00 11.33           C  
-ATOM   5481  CD1 LEU B 367       4.833 131.163   9.225  1.00 10.84           C  
-ATOM   5482  CD2 LEU B 367       5.564 129.795  11.228  1.00 10.97           C  
-ATOM   5483  N   SER B 368       7.472 126.678   7.174  1.00 10.46           N  
-ATOM   5484  CA  SER B 368       7.393 125.453   6.379  1.00 11.27           C  
-ATOM   5485  C   SER B 368       8.198 124.338   7.076  1.00 10.54           C  
-ATOM   5486  O   SER B 368       7.732 123.197   7.178  1.00 10.51           O  
-ATOM   5487  CB  SER B 368       7.927 125.689   4.957  1.00 10.07           C  
-ATOM   5488  OG  SER B 368       7.128 126.630   4.254  1.00 10.57           O  
-ATOM   5489  N   GLY B 369       9.388 124.680   7.562  1.00  9.54           N  
-ATOM   5490  CA  GLY B 369      10.232 123.707   8.241  1.00  8.39           C  
-ATOM   5491  C   GLY B 369       9.634 123.251   9.561  1.00  8.33           C  
-ATOM   5492  O   GLY B 369       9.695 122.073   9.913  1.00  8.64           O  
-ATOM   5493  N   LEU B 370       9.047 124.189  10.299  1.00 10.09           N  
-ATOM   5494  CA  LEU B 370       8.397 123.874  11.573  1.00  9.18           C  
-ATOM   5495  C   LEU B 370       7.298 122.828  11.332  1.00 11.23           C  
-ATOM   5496  O   LEU B 370       7.208 121.833  12.061  1.00 11.32           O  
-ATOM   5497  CB  LEU B 370       7.804 125.149  12.198  1.00  9.88           C  
-ATOM   5498  CG  LEU B 370       7.141 124.959  13.571  1.00 11.29           C  
-ATOM   5499  CD1 LEU B 370       8.117 124.300  14.533  1.00 11.21           C  
-ATOM   5500  CD2 LEU B 370       6.675 126.286  14.119  1.00  9.27           C  
-ATOM   5501  N   SER B 371       6.500 123.024  10.275  1.00 10.32           N  
-ATOM   5502  CA  SER B 371       5.425 122.094   9.930  1.00 10.19           C  
-ATOM   5503  C   SER B 371       5.968 120.697   9.592  1.00 10.84           C  
-ATOM   5504  O   SER B 371       5.390 119.686   9.989  1.00 10.02           O  
-ATOM   5505  CB  SER B 371       4.599 122.642   8.761  1.00 10.45           C  
-ATOM   5506  OG  SER B 371       3.562 121.737   8.427  1.00 13.14           O  
-ATOM   5507  N   ILE B 372       7.062 120.630   8.836  1.00 10.85           N  
-ATOM   5508  CA  ILE B 372       7.653 119.334   8.503  1.00 11.37           C  
-ATOM   5509  C   ILE B 372       8.152 118.633   9.787  1.00 11.01           C  
-ATOM   5510  O   ILE B 372       7.939 117.432   9.981  1.00 11.89           O  
-ATOM   5511  CB  ILE B 372       8.802 119.500   7.471  1.00 11.46           C  
-ATOM   5512  CG1 ILE B 372       8.191 119.759   6.091  1.00 13.79           C  
-ATOM   5513  CG2 ILE B 372       9.685 118.244   7.416  1.00 11.05           C  
-ATOM   5514  CD1 ILE B 372       9.155 120.259   5.102  1.00 17.55           C  
-ATOM   5515  N   ALA B 373       8.766 119.402  10.681  1.00 11.23           N  
-ATOM   5516  CA  ALA B 373       9.296 118.865  11.933  1.00 11.02           C  
-ATOM   5517  C   ALA B 373       8.176 118.368  12.850  1.00 12.30           C  
-ATOM   5518  O   ALA B 373       8.382 117.452  13.650  1.00 12.56           O  
-ATOM   5519  CB  ALA B 373      10.123 119.926  12.636  1.00 10.75           C  
-ATOM   5520  N   GLN B 374       6.995 118.972  12.733  1.00 11.36           N  
-ATOM   5521  CA  GLN B 374       5.846 118.584  13.563  1.00 12.93           C  
-ATOM   5522  C   GLN B 374       5.083 117.366  13.052  1.00 13.00           C  
-ATOM   5523  O   GLN B 374       4.458 116.644  13.833  1.00 13.88           O  
-ATOM   5524  CB  GLN B 374       4.816 119.727  13.629  1.00 11.83           C  
-ATOM   5525  CG  GLN B 374       5.242 120.955  14.394  1.00 11.66           C  
-ATOM   5526  CD  GLN B 374       4.229 122.072  14.265  1.00 14.10           C  
-ATOM   5527  OE1 GLN B 374       3.390 122.066  13.356  1.00 12.88           O  
-ATOM   5528  NE2 GLN B 374       4.301 123.044  15.167  1.00 13.93           N  
-ATOM   5529  N   HIS B 375       5.092 117.165  11.737  1.00 12.42           N  
-ATOM   5530  CA  HIS B 375       4.286 116.110  11.140  1.00 13.09           C  
-ATOM   5531  C   HIS B 375       4.970 115.020  10.344  1.00 13.28           C  
-ATOM   5532  O   HIS B 375       5.616 115.302   9.339  1.00 12.41           O  
-ATOM   5533  CB  HIS B 375       3.230 116.752  10.229  1.00 11.98           C  
-ATOM   5534  CG  HIS B 375       2.372 117.771  10.914  1.00 15.43           C  
-ATOM   5535  ND1 HIS B 375       2.429 119.118  10.616  1.00 17.57           N  
-ATOM   5536  CD2 HIS B 375       1.414 117.639  11.861  1.00 13.58           C  
-ATOM   5537  CE1 HIS B 375       1.543 119.769  11.349  1.00 15.49           C  
-ATOM   5538  NE2 HIS B 375       0.913 118.895  12.112  1.00 18.14           N  
-ATOM   5539  N   PHE B 376       4.777 113.771  10.767  1.00 14.04           N  
-ATOM   5540  CA  PHE B 376       5.309 112.631  10.042  1.00 14.14           C  
-ATOM   5541  C   PHE B 376       4.105 111.888   9.485  1.00 16.86           C  
-ATOM   5542  O   PHE B 376       3.098 111.715  10.177  1.00 16.05           O  
-ATOM   5543  CB  PHE B 376       6.104 111.684  10.946  1.00 14.28           C  
-ATOM   5544  CG  PHE B 376       6.414 110.353  10.298  1.00 14.83           C  
-ATOM   5545  CD1 PHE B 376       7.571 110.183   9.542  1.00 15.43           C  
-ATOM   5546  CD2 PHE B 376       5.523 109.282  10.404  1.00 15.65           C  
-ATOM   5547  CE1 PHE B 376       7.839 108.970   8.896  1.00 15.50           C  
-ATOM   5548  CE2 PHE B 376       5.780 108.065   9.761  1.00 16.69           C  
-ATOM   5549  CZ  PHE B 376       6.944 107.911   9.003  1.00 15.36           C  
-ATOM   5550  N   GLY B 377       4.217 111.441   8.240  1.00 20.25           N  
-ATOM   5551  CA  GLY B 377       3.146 110.694   7.605  1.00 24.77           C  
-ATOM   5552  C   GLY B 377       3.781 109.803   6.554  1.00 29.18           C  
-ATOM   5553  O   GLY B 377       4.632 110.261   5.797  1.00 30.76           O  
-ATOM   5554  N   SER B 378       3.413 108.529   6.531  1.00 32.16           N  
-ATOM   5555  CA  SER B 378       3.956 107.564   5.575  1.00 35.95           C  
-ATOM   5556  C   SER B 378       2.944 106.428   5.479  1.00 38.80           C  
-ATOM   5557  O   SER B 378       2.767 105.659   6.436  1.00 39.41           O  
-ATOM   5558  CB  SER B 378       5.300 107.010   6.069  1.00 35.85           C  
-ATOM   5559  OG  SER B 378       5.811 106.016   5.191  1.00 36.81           O  
-ATOM   5560  N   GLY B 379       2.292 106.311   4.326  1.00 41.00           N  
-ATOM   5561  CA  GLY B 379       1.290 105.276   4.161  1.00 42.80           C  
-ATOM   5562  C   GLY B 379       0.123 105.708   5.023  1.00 44.18           C  
-ATOM   5563  O   GLY B 379      -0.320 106.856   4.935  1.00 45.52           O  
-ATOM   5564  N   ALA B 380      -0.343 104.818   5.890  1.00 45.14           N  
-ATOM   5565  CA  ALA B 380      -1.456 105.149   6.779  1.00 45.94           C  
-ATOM   5566  C   ALA B 380      -0.932 105.647   8.132  1.00 45.86           C  
-ATOM   5567  O   ALA B 380      -1.711 106.061   9.001  1.00 46.36           O  
-ATOM   5568  CB  ALA B 380      -2.357 103.931   6.972  1.00 46.73           C  
-ATOM   5569  N   MET B 381       0.388 105.577   8.304  1.00 44.24           N  
-ATOM   5570  CA  MET B 381       1.052 106.011   9.528  1.00 42.96           C  
-ATOM   5571  C   MET B 381       1.141 107.523   9.649  1.00 39.98           C  
-ATOM   5572  O   MET B 381       1.668 108.191   8.759  1.00 39.59           O  
-ATOM   5573  CB  MET B 381       2.474 105.458   9.582  1.00 46.78           C  
-ATOM   5574  CG  MET B 381       2.685 104.447  10.666  1.00 52.30           C  
-ATOM   5575  SD  MET B 381       1.659 103.028  10.354  1.00 57.27           S  
-ATOM   5576  CE  MET B 381       2.767 102.061   9.267  1.00 55.72           C  
-ATOM   5577  N   LEU B 382       0.638 108.056  10.753  1.00 34.86           N  
-ATOM   5578  CA  LEU B 382       0.700 109.484  11.009  1.00 31.88           C  
-ATOM   5579  C   LEU B 382       1.179 109.644  12.448  1.00 29.29           C  
-ATOM   5580  O   LEU B 382       0.664 108.979  13.353  1.00 28.07           O  
-ATOM   5581  CB  LEU B 382      -0.672 110.126  10.821  1.00 33.35           C  
-ATOM   5582  CG  LEU B 382      -1.025 110.735   9.455  1.00 37.00           C  
-ATOM   5583  CD1 LEU B 382      -0.720 109.788   8.300  1.00 38.29           C  
-ATOM   5584  CD2 LEU B 382      -2.496 111.111   9.458  1.00 36.72           C  
-ATOM   5585  N   HIS B 383       2.202 110.463  12.659  1.00 23.77           N  
-ATOM   5586  CA  HIS B 383       2.714 110.674  14.006  1.00 21.39           C  
-ATOM   5587  C   HIS B 383       3.170 112.124  14.178  1.00 20.55           C  
-ATOM   5588  O   HIS B 383       4.140 112.569  13.547  1.00 19.23           O  
-ATOM   5589  CB  HIS B 383       3.855 109.691  14.313  1.00 21.81           C  
-ATOM   5590  CG  HIS B 383       4.398 109.812  15.707  1.00 25.85           C  
-ATOM   5591  ND1 HIS B 383       3.689 109.412  16.821  1.00 26.71           N  
-ATOM   5592  CD2 HIS B 383       5.565 110.329  16.172  1.00 25.39           C  
-ATOM   5593  CE1 HIS B 383       4.391 109.682  17.908  1.00 26.64           C  
-ATOM   5594  NE2 HIS B 383       5.532 110.239  17.543  1.00 24.91           N  
-ATOM   5595  N   ASP B 384       2.467 112.857  15.034  1.00 18.20           N  
-ATOM   5596  CA  ASP B 384       2.777 114.259  15.283  1.00 19.47           C  
-ATOM   5597  C   ASP B 384       3.625 114.495  16.522  1.00 19.71           C  
-ATOM   5598  O   ASP B 384       3.490 113.791  17.521  1.00 19.18           O  
-ATOM   5599  CB  ASP B 384       1.492 115.071  15.413  1.00 19.98           C  
-ATOM   5600  CG  ASP B 384       0.819 115.318  14.087  1.00 23.74           C  
-ATOM   5601  OD1 ASP B 384      -0.304 115.854  14.112  1.00 30.71           O  
-ATOM   5602  OD2 ASP B 384       1.397 115.010  13.020  1.00 21.08           O  
-ATOM   5603  N   VAL B 385       4.504 115.487  16.440  1.00 19.33           N  
-ATOM   5604  CA  VAL B 385       5.373 115.875  17.548  1.00 20.05           C  
-ATOM   5605  C   VAL B 385       5.273 117.399  17.579  1.00 18.98           C  
-ATOM   5606  O   VAL B 385       6.044 118.073  16.905  1.00 23.73           O  
-ATOM   5607  CB  VAL B 385       6.871 115.487  17.299  1.00 21.79           C  
-ATOM   5608  CG1 VAL B 385       7.744 115.996  18.458  1.00 23.31           C  
-ATOM   5609  CG2 VAL B 385       7.033 113.980  17.154  1.00 24.66           C  
-ATOM   5610  N   VAL B 386       4.264 117.943  18.256  1.00 16.56           N  
-ATOM   5611  CA  VAL B 386       4.104 119.393  18.334  1.00 13.64           C  
-ATOM   5612  C   VAL B 386       4.684 119.896  19.657  1.00 14.79           C  
-ATOM   5613  O   VAL B 386       4.089 119.733  20.725  1.00 14.81           O  
-ATOM   5614  CB  VAL B 386       2.624 119.827  18.218  1.00 13.28           C  
-ATOM   5615  CG1 VAL B 386       2.512 121.353  18.312  1.00 10.58           C  
-ATOM   5616  CG2 VAL B 386       2.034 119.325  16.914  1.00 12.96           C  
-ATOM   5617  N   LEU B 387       5.878 120.464  19.591  1.00 13.98           N  
-ATOM   5618  CA  LEU B 387       6.540 120.983  20.779  1.00 14.42           C  
-ATOM   5619  C   LEU B 387       5.835 122.258  21.239  1.00 13.36           C  
-ATOM   5620  O   LEU B 387       5.382 123.050  20.414  1.00 13.21           O  
-ATOM   5621  CB  LEU B 387       8.007 121.278  20.442  1.00 16.83           C  
-ATOM   5622  CG  LEU B 387       8.958 121.661  21.569  1.00 21.14           C  
-ATOM   5623  CD1 LEU B 387       9.030 120.524  22.566  1.00 22.47           C  
-ATOM   5624  CD2 LEU B 387      10.332 121.955  21.005  1.00 20.41           C  
-ATOM   5625  N   GLY B 388       5.728 122.438  22.552  1.00 12.83           N  
-ATOM   5626  CA  GLY B 388       5.104 123.630  23.115  1.00 12.17           C  
-ATOM   5627  C   GLY B 388       3.602 123.542  23.304  1.00 12.33           C  
-ATOM   5628  O   GLY B 388       3.037 122.449  23.417  1.00 12.60           O  
-ATOM   5629  N   VAL B 389       2.945 124.694  23.353  1.00 12.03           N  
-ATOM   5630  CA  VAL B 389       1.500 124.720  23.519  1.00 12.96           C  
-ATOM   5631  C   VAL B 389       0.893 124.066  22.280  1.00 15.81           C  
-ATOM   5632  O   VAL B 389       1.452 124.165  21.183  1.00 14.46           O  
-ATOM   5633  CB  VAL B 389       0.959 126.163  23.746  1.00 10.80           C  
-ATOM   5634  CG1 VAL B 389       1.538 126.722  25.029  1.00 10.60           C  
-ATOM   5635  CG2 VAL B 389       1.291 127.078  22.576  1.00 10.70           C  
-ATOM   5636  N   PRO B 390      -0.222 123.331  22.450  1.00 16.68           N  
-ATOM   5637  CA  PRO B 390      -0.908 122.641  21.349  1.00 17.36           C  
-ATOM   5638  C   PRO B 390      -1.236 123.524  20.144  1.00 16.53           C  
-ATOM   5639  O   PRO B 390      -1.220 123.052  19.003  1.00 16.64           O  
-ATOM   5640  CB  PRO B 390      -2.182 122.119  22.017  1.00 17.54           C  
-ATOM   5641  CG  PRO B 390      -1.732 121.849  23.421  1.00 19.43           C  
-ATOM   5642  CD  PRO B 390      -0.898 123.067  23.738  1.00 17.15           C  
-ATOM   5643  N   GLU B 391      -1.481 124.810  20.388  1.00 16.55           N  
-ATOM   5644  CA  GLU B 391      -1.821 125.748  19.312  1.00 17.66           C  
-ATOM   5645  C   GLU B 391      -0.663 125.982  18.348  1.00 16.69           C  
-ATOM   5646  O   GLU B 391      -0.833 126.645  17.332  1.00 16.63           O  
-ATOM   5647  CB  GLU B 391      -2.280 127.107  19.860  1.00 19.76           C  
-ATOM   5648  CG  GLU B 391      -3.427 127.049  20.850  1.00 27.96           C  
-ATOM   5649  CD  GLU B 391      -2.940 126.752  22.263  1.00 33.01           C  
-ATOM   5650  OE1 GLU B 391      -2.948 125.574  22.670  1.00 31.96           O  
-ATOM   5651  OE2 GLU B 391      -2.514 127.700  22.957  1.00 38.53           O  
-ATOM   5652  N   ASN B 392       0.521 125.484  18.685  1.00 14.30           N  
-ATOM   5653  CA  ASN B 392       1.676 125.647  17.805  1.00 14.14           C  
-ATOM   5654  C   ASN B 392       1.539 124.834  16.520  1.00 12.68           C  
-ATOM   5655  O   ASN B 392       2.191 125.134  15.526  1.00 13.25           O  
-ATOM   5656  CB  ASN B 392       2.961 125.217  18.521  1.00 12.69           C  
-ATOM   5657  CG  ASN B 392       3.409 126.221  19.569  1.00 13.36           C  
-ATOM   5658  OD1 ASN B 392       2.858 127.327  19.660  1.00 13.04           O  
-ATOM   5659  ND2 ASN B 392       4.406 125.847  20.366  1.00 11.90           N  
-ATOM   5660  N   ALA B 393       0.708 123.796  16.557  1.00 13.32           N  
-ATOM   5661  CA  ALA B 393       0.515 122.903  15.415  1.00 12.35           C  
-ATOM   5662  C   ALA B 393       0.125 123.658  14.153  1.00 13.23           C  
-ATOM   5663  O   ALA B 393      -0.864 124.389  14.139  1.00 14.10           O  
-ATOM   5664  CB  ALA B 393      -0.523 121.848  15.746  1.00 11.12           C  
-ATOM   5665  N   LEU B 394       0.941 123.525  13.113  1.00 12.62           N  
-ATOM   5666  CA  LEU B 394       0.673 124.183  11.841  1.00 11.19           C  
-ATOM   5667  C   LEU B 394      -0.018 123.219  10.880  1.00 11.83           C  
-ATOM   5668  O   LEU B 394      -0.088 122.004  11.121  1.00 10.73           O  
-ATOM   5669  CB  LEU B 394       1.991 124.655  11.207  1.00 11.95           C  
-ATOM   5670  CG  LEU B 394       2.818 125.722  11.932  1.00 12.80           C  
-ATOM   5671  CD1 LEU B 394       4.163 125.885  11.246  1.00 13.16           C  
-ATOM   5672  CD2 LEU B 394       2.063 127.043  11.940  1.00 11.07           C  
-ATOM   5673  N   GLN B 395      -0.558 123.762   9.800  1.00 12.16           N  
-ATOM   5674  CA  GLN B 395      -1.171 122.930   8.778  1.00 13.19           C  
-ATOM   5675  C   GLN B 395      -0.017 122.219   8.066  1.00 12.32           C  
-ATOM   5676  O   GLN B 395       1.094 122.750   7.989  1.00 11.48           O  
-ATOM   5677  CB  GLN B 395      -1.934 123.809   7.788  1.00 14.06           C  
-ATOM   5678  CG  GLN B 395      -3.164 124.438   8.395  1.00 17.29           C  
-ATOM   5679  CD  GLN B 395      -4.133 123.391   8.911  1.00 21.46           C  
-ATOM   5680  OE1 GLN B 395      -4.702 122.643   8.138  1.00 23.58           O  
-ATOM   5681  NE2 GLN B 395      -4.302 123.319  10.230  1.00 25.46           N  
-ATOM   5682  N   PRO B 396      -0.236 120.989   7.599  1.00 12.22           N  
-ATOM   5683  CA  PRO B 396       0.846 120.277   6.906  1.00 12.62           C  
-ATOM   5684  C   PRO B 396       1.235 120.911   5.557  1.00 11.74           C  
-ATOM   5685  O   PRO B 396       0.466 121.658   4.950  1.00 11.12           O  
-ATOM   5686  CB  PRO B 396       0.260 118.877   6.716  1.00 13.19           C  
-ATOM   5687  CG  PRO B 396      -1.228 119.136   6.641  1.00 16.07           C  
-ATOM   5688  CD  PRO B 396      -1.427 120.133   7.748  1.00 14.06           C  
-ATOM   5689  N   THR B 397       2.442 120.631   5.101  1.00 11.83           N  
-ATOM   5690  CA  THR B 397       2.890 121.159   3.823  1.00 11.65           C  
-ATOM   5691  C   THR B 397       3.371 119.970   2.981  1.00 13.15           C  
-ATOM   5692  O   THR B 397       3.806 118.947   3.528  1.00 13.76           O  
-ATOM   5693  CB  THR B 397       4.011 122.204   4.018  1.00 11.79           C  
-ATOM   5694  OG1 THR B 397       4.216 122.907   2.791  1.00 12.63           O  
-ATOM   5695  CG2 THR B 397       5.326 121.554   4.465  1.00 10.51           C  
-ATOM   5696  N   HIS B 398       3.194 120.047   1.666  1.00 12.54           N  
-ATOM   5697  CA  HIS B 398       3.629 118.966   0.782  1.00 10.97           C  
-ATOM   5698  C   HIS B 398       5.151 119.156   0.611  1.00 11.19           C  
-ATOM   5699  O   HIS B 398       5.593 120.220   0.194  1.00 11.49           O  
-ATOM   5700  CB  HIS B 398       2.901 119.082  -0.553  1.00 12.04           C  
-ATOM   5701  CG  HIS B 398       3.035 117.869  -1.417  1.00 12.37           C  
-ATOM   5702  ND1 HIS B 398       4.205 117.546  -2.072  1.00 11.90           N  
-ATOM   5703  CD2 HIS B 398       2.142 116.904  -1.742  1.00 12.30           C  
-ATOM   5704  CE1 HIS B 398       4.026 116.434  -2.763  1.00 10.98           C  
-ATOM   5705  NE2 HIS B 398       2.783 116.027  -2.579  1.00 12.88           N  
-ATOM   5706  N   PRO B 399       5.959 118.100   0.854  1.00 11.80           N  
-ATOM   5707  CA  PRO B 399       7.417 118.224   0.733  1.00 11.88           C  
-ATOM   5708  C   PRO B 399       8.005 118.516  -0.643  1.00 12.55           C  
-ATOM   5709  O   PRO B 399       9.128 118.984  -0.738  1.00 12.66           O  
-ATOM   5710  CB  PRO B 399       7.922 116.904   1.327  1.00 13.02           C  
-ATOM   5711  CG  PRO B 399       6.845 115.937   0.975  1.00 13.35           C  
-ATOM   5712  CD  PRO B 399       5.577 116.727   1.242  1.00 12.41           C  
-ATOM   5713  N   VAL B 400       7.265 118.202  -1.703  1.00 10.99           N  
-ATOM   5714  CA  VAL B 400       7.743 118.476  -3.055  1.00 10.63           C  
-ATOM   5715  C   VAL B 400       7.435 119.918  -3.480  1.00 11.74           C  
-ATOM   5716  O   VAL B 400       8.324 120.653  -3.898  1.00 11.46           O  
-ATOM   5717  CB  VAL B 400       7.091 117.516  -4.110  1.00 10.60           C  
-ATOM   5718  CG1 VAL B 400       7.453 117.965  -5.532  1.00  9.64           C  
-ATOM   5719  CG2 VAL B 400       7.548 116.071  -3.894  1.00  9.91           C  
-ATOM   5720  N   TYR B 401       6.177 120.322  -3.337  1.00 10.28           N  
-ATOM   5721  CA  TYR B 401       5.731 121.647  -3.784  1.00 10.62           C  
-ATOM   5722  C   TYR B 401       5.761 122.776  -2.770  1.00 10.89           C  
-ATOM   5723  O   TYR B 401       5.751 123.948  -3.137  1.00 10.80           O  
-ATOM   5724  CB  TYR B 401       4.294 121.534  -4.322  1.00  9.44           C  
-ATOM   5725  CG  TYR B 401       4.161 120.521  -5.429  1.00 11.08           C  
-ATOM   5726  CD1 TYR B 401       3.718 119.227  -5.158  1.00 10.63           C  
-ATOM   5727  CD2 TYR B 401       4.532 120.835  -6.733  1.00 10.78           C  
-ATOM   5728  CE1 TYR B 401       3.651 118.267  -6.151  1.00 11.71           C  
-ATOM   5729  CE2 TYR B 401       4.472 119.883  -7.743  1.00 12.11           C  
-ATOM   5730  CZ  TYR B 401       4.029 118.597  -7.442  1.00 14.05           C  
-ATOM   5731  OH  TYR B 401       3.968 117.623  -8.413  1.00 14.43           O  
-ATOM   5732  N   ASN B 402       5.790 122.409  -1.497  1.00 10.05           N  
-ATOM   5733  CA  ASN B 402       5.738 123.350  -0.394  1.00  9.16           C  
-ATOM   5734  C   ASN B 402       4.482 124.232  -0.396  1.00  9.51           C  
-ATOM   5735  O   ASN B 402       4.553 125.461  -0.311  1.00 10.19           O  
-ATOM   5736  CB  ASN B 402       7.014 124.185  -0.211  1.00  9.14           C  
-ATOM   5737  CG  ASN B 402       7.097 124.800   1.201  1.00 12.46           C  
-ATOM   5738  OD1 ASN B 402       6.512 124.256   2.150  1.00 11.53           O  
-ATOM   5739  ND2 ASN B 402       7.801 125.927   1.342  1.00  9.90           N  
-ATOM   5740  N   ILE B 403       3.345 123.585  -0.630  1.00 10.68           N  
-ATOM   5741  CA  ILE B 403       2.021 124.202  -0.522  1.00 10.77           C  
-ATOM   5742  C   ILE B 403       1.233 123.062   0.161  1.00 11.44           C  
-ATOM   5743  O   ILE B 403       1.700 121.913   0.182  1.00 11.44           O  
-ATOM   5744  CB  ILE B 403       1.349 124.638  -1.883  1.00 10.48           C  
-ATOM   5745  CG1 ILE B 403       1.018 123.430  -2.768  1.00 12.34           C  
-ATOM   5746  CG2 ILE B 403       2.197 125.686  -2.576  1.00  9.09           C  
-ATOM   5747  CD1 ILE B 403       0.184 123.776  -4.007  1.00 13.42           C  
-ATOM   5748  N   GLY B 404       0.070 123.364   0.727  1.00 11.31           N  
-ATOM   5749  CA  GLY B 404      -0.691 122.326   1.402  1.00 11.75           C  
-ATOM   5750  C   GLY B 404      -0.969 121.103   0.545  1.00 14.17           C  
-ATOM   5751  O   GLY B 404      -1.207 121.235  -0.653  1.00 15.82           O  
-ATOM   5752  N   PRO B 405      -0.921 119.890   1.117  1.00 14.24           N  
-ATOM   5753  CA  PRO B 405      -1.182 118.653   0.378  1.00 14.77           C  
-ATOM   5754  C   PRO B 405      -2.585 118.690  -0.238  1.00 14.45           C  
-ATOM   5755  O   PRO B 405      -2.808 118.138  -1.313  1.00 14.18           O  
-ATOM   5756  CB  PRO B 405      -1.099 117.590   1.466  1.00 15.11           C  
-ATOM   5757  CG  PRO B 405      -0.147 118.167   2.422  1.00 16.77           C  
-ATOM   5758  CD  PRO B 405      -0.560 119.595   2.512  1.00 14.40           C  
-ATOM   5759  N   ASP B 406      -3.531 119.306   0.467  1.00 13.85           N  
-ATOM   5760  CA  ASP B 406      -4.896 119.442  -0.031  1.00 15.57           C  
-ATOM   5761  C   ASP B 406      -4.889 120.294  -1.312  1.00 15.63           C  
-ATOM   5762  O   ASP B 406      -5.582 119.977  -2.282  1.00 14.56           O  
-ATOM   5763  CB  ASP B 406      -5.820 120.066   1.049  1.00 17.92           C  
-ATOM   5764  CG  ASP B 406      -5.372 121.484   1.505  1.00 24.61           C  
-ATOM   5765  OD1 ASP B 406      -4.155 121.741   1.634  1.00 25.74           O  
-ATOM   5766  OD2 ASP B 406      -6.245 122.353   1.761  1.00 26.63           O  
-ATOM   5767  N   LYS B 407      -4.079 121.358  -1.314  1.00 14.69           N  
-ATOM   5768  CA  LYS B 407      -3.968 122.262  -2.468  1.00 15.16           C  
-ATOM   5769  C   LYS B 407      -3.351 121.518  -3.650  1.00 14.24           C  
-ATOM   5770  O   LYS B 407      -3.754 121.721  -4.792  1.00 14.50           O  
-ATOM   5771  CB  LYS B 407      -3.109 123.493  -2.131  1.00 16.96           C  
-ATOM   5772  CG  LYS B 407      -3.608 124.328  -0.954  1.00 19.00           C  
-ATOM   5773  CD  LYS B 407      -5.040 124.750  -1.169  1.00 22.73           C  
-ATOM   5774  CE  LYS B 407      -5.541 125.637  -0.043  1.00 25.62           C  
-ATOM   5775  NZ  LYS B 407      -6.933 126.088  -0.395  1.00 29.01           N  
-ATOM   5776  N   VAL B 408      -2.348 120.680  -3.375  1.00 13.29           N  
-ATOM   5777  CA  VAL B 408      -1.702 119.890  -4.429  1.00 13.91           C  
-ATOM   5778  C   VAL B 408      -2.722 118.941  -5.083  1.00 15.05           C  
-ATOM   5779  O   VAL B 408      -2.846 118.901  -6.301  1.00 14.66           O  
-ATOM   5780  CB  VAL B 408      -0.516 119.032  -3.880  1.00 12.13           C  
-ATOM   5781  CG1 VAL B 408       0.000 118.120  -4.968  1.00  9.46           C  
-ATOM   5782  CG2 VAL B 408       0.608 119.936  -3.361  1.00 11.53           C  
-ATOM   5783  N   ILE B 409      -3.467 118.197  -4.269  1.00 15.81           N  
-ATOM   5784  CA  ILE B 409      -4.449 117.248  -4.789  1.00 16.44           C  
-ATOM   5785  C   ILE B 409      -5.531 117.944  -5.598  1.00 17.15           C  
-ATOM   5786  O   ILE B 409      -5.884 117.496  -6.694  1.00 17.19           O  
-ATOM   5787  CB  ILE B 409      -5.110 116.439  -3.653  1.00 17.99           C  
-ATOM   5788  CG1 ILE B 409      -4.061 115.540  -2.997  1.00 20.03           C  
-ATOM   5789  CG2 ILE B 409      -6.246 115.572  -4.212  1.00 18.09           C  
-ATOM   5790  CD1 ILE B 409      -4.539 114.853  -1.733  1.00 23.74           C  
-ATOM   5791  N   GLN B 410      -6.033 119.051  -5.065  1.00 15.63           N  
-ATOM   5792  CA  GLN B 410      -7.078 119.802  -5.723  1.00 16.53           C  
-ATOM   5793  C   GLN B 410      -6.604 120.373  -7.061  1.00 16.49           C  
-ATOM   5794  O   GLN B 410      -7.301 120.269  -8.069  1.00 15.81           O  
-ATOM   5795  CB  GLN B 410      -7.550 120.911  -4.808  1.00 19.25           C  
-ATOM   5796  CG  GLN B 410      -8.806 121.570  -5.261  1.00 28.15           C  
-ATOM   5797  CD  GLN B 410      -9.258 122.594  -4.262  1.00 35.21           C  
-ATOM   5798  OE1 GLN B 410      -9.257 122.333  -3.048  1.00 39.37           O  
-ATOM   5799  NE2 GLN B 410      -9.604 123.786  -4.745  1.00 36.27           N  
-ATOM   5800  N   ALA B 411      -5.418 120.966  -7.077  1.00 13.96           N  
-ATOM   5801  CA  ALA B 411      -4.875 121.520  -8.315  1.00 15.78           C  
-ATOM   5802  C   ALA B 411      -4.610 120.426  -9.360  1.00 16.50           C  
-ATOM   5803  O   ALA B 411      -5.051 120.539 -10.508  1.00 17.07           O  
-ATOM   5804  CB  ALA B 411      -3.588 122.306  -8.038  1.00 13.35           C  
-ATOM   5805  N   THR B 412      -3.906 119.366  -8.972  1.00 16.35           N  
-ATOM   5806  CA  THR B 412      -3.598 118.304  -9.928  1.00 19.29           C  
-ATOM   5807  C   THR B 412      -4.873 117.656 -10.457  1.00 20.35           C  
-ATOM   5808  O   THR B 412      -4.976 117.366 -11.641  1.00 20.87           O  
-ATOM   5809  CB  THR B 412      -2.648 117.237  -9.351  1.00 19.29           C  
-ATOM   5810  OG1 THR B 412      -3.278 116.609  -8.235  1.00 25.83           O  
-ATOM   5811  CG2 THR B 412      -1.336 117.878  -8.889  1.00 16.03           C  
-ATOM   5812  N   THR B 413      -5.861 117.472  -9.589  1.00 20.30           N  
-ATOM   5813  CA  THR B 413      -7.131 116.891 -10.011  1.00 21.66           C  
-ATOM   5814  C   THR B 413      -7.784 117.794 -11.061  1.00 21.74           C  
-ATOM   5815  O   THR B 413      -8.215 117.326 -12.113  1.00 23.78           O  
-ATOM   5816  CB  THR B 413      -8.081 116.705  -8.803  1.00 23.46           C  
-ATOM   5817  OG1 THR B 413      -7.545 115.692  -7.945  1.00 24.76           O  
-ATOM   5818  CG2 THR B 413      -9.472 116.288  -9.253  1.00 23.21           C  
-ATOM   5819  N   TYR B 414      -7.806 119.094 -10.797  1.00 19.93           N  
-ATOM   5820  CA  TYR B 414      -8.400 120.053 -11.715  1.00 19.18           C  
-ATOM   5821  C   TYR B 414      -7.717 120.058 -13.087  1.00 18.28           C  
-ATOM   5822  O   TYR B 414      -8.376 119.945 -14.125  1.00 17.08           O  
-ATOM   5823  CB  TYR B 414      -8.327 121.459 -11.117  1.00 19.67           C  
-ATOM   5824  CG  TYR B 414      -8.995 122.508 -11.968  1.00 21.59           C  
-ATOM   5825  CD1 TYR B 414     -10.368 122.716 -11.884  1.00 21.79           C  
-ATOM   5826  CD2 TYR B 414      -8.256 123.303 -12.857  1.00 21.78           C  
-ATOM   5827  CE1 TYR B 414     -10.996 123.691 -12.655  1.00 24.12           C  
-ATOM   5828  CE2 TYR B 414      -8.875 124.277 -13.637  1.00 22.49           C  
-ATOM   5829  CZ  TYR B 414     -10.246 124.459 -13.524  1.00 23.85           C  
-ATOM   5830  OH  TYR B 414     -10.888 125.397 -14.280  1.00 26.74           O  
-ATOM   5831  N   PHE B 415      -6.397 120.192 -13.091  1.00 16.50           N  
-ATOM   5832  CA  PHE B 415      -5.669 120.248 -14.346  1.00 15.02           C  
-ATOM   5833  C   PHE B 415      -5.586 118.924 -15.097  1.00 15.33           C  
-ATOM   5834  O   PHE B 415      -5.403 118.925 -16.315  1.00 15.14           O  
-ATOM   5835  CB  PHE B 415      -4.283 120.846 -14.138  1.00 13.27           C  
-ATOM   5836  CG  PHE B 415      -4.304 122.302 -13.777  1.00 13.29           C  
-ATOM   5837  CD1 PHE B 415      -3.867 122.727 -12.531  1.00 13.16           C  
-ATOM   5838  CD2 PHE B 415      -4.749 123.254 -14.690  1.00 13.56           C  
-ATOM   5839  CE1 PHE B 415      -3.869 124.089 -12.195  1.00 13.28           C  
-ATOM   5840  CE2 PHE B 415      -4.753 124.616 -14.361  1.00 12.76           C  
-ATOM   5841  CZ  PHE B 415      -4.313 125.030 -13.115  1.00 12.25           C  
-ATOM   5842  N   LEU B 416      -5.700 117.798 -14.388  1.00 16.68           N  
-ATOM   5843  CA  LEU B 416      -5.657 116.490 -15.043  1.00 17.89           C  
-ATOM   5844  C   LEU B 416      -6.874 116.326 -15.944  1.00 20.21           C  
-ATOM   5845  O   LEU B 416      -6.901 115.449 -16.803  1.00 21.78           O  
-ATOM   5846  CB  LEU B 416      -5.619 115.350 -14.024  1.00 19.40           C  
-ATOM   5847  CG  LEU B 416      -4.255 114.957 -13.451  1.00 21.25           C  
-ATOM   5848  CD1 LEU B 416      -4.453 113.845 -12.420  1.00 20.67           C  
-ATOM   5849  CD2 LEU B 416      -3.327 114.496 -14.560  1.00 20.22           C  
-ATOM   5850  N   GLN B 417      -7.885 117.162 -15.731  1.00 20.57           N  
-ATOM   5851  CA  GLN B 417      -9.093 117.126 -16.546  1.00 24.42           C  
-ATOM   5852  C   GLN B 417      -8.935 117.881 -17.856  1.00 24.03           C  
-ATOM   5853  O   GLN B 417      -9.859 117.929 -18.665  1.00 26.24           O  
-ATOM   5854  CB  GLN B 417     -10.266 117.715 -15.786  1.00 27.25           C  
-ATOM   5855  CG  GLN B 417     -10.746 116.850 -14.659  1.00 34.86           C  
-ATOM   5856  CD  GLN B 417     -11.856 117.525 -13.903  1.00 42.35           C  
-ATOM   5857  OE1 GLN B 417     -11.682 117.930 -12.748  1.00 45.80           O  
-ATOM   5858  NE2 GLN B 417     -13.003 117.697 -14.564  1.00 45.09           N  
-ATOM   5859  N   LYS B 418      -7.803 118.543 -18.022  1.00 22.78           N  
-ATOM   5860  CA  LYS B 418      -7.523 119.284 -19.236  1.00 21.79           C  
-ATOM   5861  C   LYS B 418      -6.465 118.492 -19.998  1.00 22.45           C  
-ATOM   5862  O   LYS B 418      -5.722 117.692 -19.414  1.00 22.91           O  
-ATOM   5863  CB  LYS B 418      -7.004 120.677 -18.895  1.00 20.82           C  
-ATOM   5864  CG  LYS B 418      -7.925 121.482 -18.009  1.00 22.36           C  
-ATOM   5865  CD  LYS B 418      -7.513 122.941 -18.002  1.00 27.57           C  
-ATOM   5866  CE  LYS B 418      -8.401 123.768 -17.089  1.00 29.95           C  
-ATOM   5867  NZ  LYS B 418      -9.843 123.464 -17.300  1.00 32.93           N  
-ATOM   5868  N   PRO B 419      -6.419 118.647 -21.328  1.00 23.79           N  
-ATOM   5869  CA  PRO B 419      -5.407 117.897 -22.080  1.00 21.85           C  
-ATOM   5870  C   PRO B 419      -4.055 118.610 -22.019  1.00 18.79           C  
-ATOM   5871  O   PRO B 419      -4.000 119.796 -21.697  1.00 17.41           O  
-ATOM   5872  CB  PRO B 419      -5.968 117.933 -23.502  1.00 23.48           C  
-ATOM   5873  CG  PRO B 419      -6.543 119.316 -23.571  1.00 24.04           C  
-ATOM   5874  CD  PRO B 419      -7.279 119.433 -22.235  1.00 24.80           C  
-ATOM   5875  N   VAL B 420      -2.975 117.870 -22.269  1.00 18.62           N  
-ATOM   5876  CA  VAL B 420      -1.634 118.452 -22.326  1.00 18.22           C  
-ATOM   5877  C   VAL B 420      -1.716 119.279 -23.617  1.00 18.90           C  
-ATOM   5878  O   VAL B 420      -2.062 118.748 -24.672  1.00 18.66           O  
-ATOM   5879  CB  VAL B 420      -0.565 117.358 -22.453  1.00 18.12           C  
-ATOM   5880  CG1 VAL B 420       0.825 117.976 -22.611  1.00 17.53           C  
-ATOM   5881  CG2 VAL B 420      -0.614 116.450 -21.225  1.00 18.62           C  
-ATOM   5882  N   PRO B 421      -1.400 120.581 -23.552  1.00 18.67           N  
-ATOM   5883  CA  PRO B 421      -1.461 121.485 -24.712  1.00 18.98           C  
-ATOM   5884  C   PRO B 421      -0.909 120.996 -26.056  1.00 18.52           C  
-ATOM   5885  O   PRO B 421       0.299 120.829 -26.217  1.00 18.43           O  
-ATOM   5886  CB  PRO B 421      -0.709 122.724 -24.222  1.00 19.34           C  
-ATOM   5887  CG  PRO B 421      -0.936 122.696 -22.739  1.00 20.08           C  
-ATOM   5888  CD  PRO B 421      -0.726 121.238 -22.418  1.00 17.50           C  
-ATOM   5889  N   GLY B 422      -1.813 120.785 -27.013  1.00 18.29           N  
-ATOM   5890  CA  GLY B 422      -1.424 120.367 -28.352  1.00 20.43           C  
-ATOM   5891  C   GLY B 422      -0.737 119.024 -28.411  1.00 23.75           C  
-ATOM   5892  O   GLY B 422      -0.054 118.690 -29.384  1.00 22.31           O  
-ATOM   5893  N   PHE B 423      -0.974 118.210 -27.396  1.00 26.88           N  
-ATOM   5894  CA  PHE B 423      -0.337 116.918 -27.342  1.00 32.37           C  
-ATOM   5895  C   PHE B 423      -1.293 115.807 -26.935  1.00 36.37           C  
-ATOM   5896  O   PHE B 423      -2.117 115.974 -26.033  1.00 37.24           O  
-ATOM   5897  CB  PHE B 423       0.859 116.954 -26.384  1.00 30.72           C  
-ATOM   5898  CG  PHE B 423       1.607 115.671 -26.341  1.00 32.34           C  
-ATOM   5899  CD1 PHE B 423       2.435 115.307 -27.399  1.00 32.61           C  
-ATOM   5900  CD2 PHE B 423       1.410 114.770 -25.292  1.00 32.80           C  
-ATOM   5901  CE1 PHE B 423       3.049 114.058 -27.425  1.00 35.18           C  
-ATOM   5902  CE2 PHE B 423       2.019 113.516 -25.302  1.00 33.51           C  
-ATOM   5903  CZ  PHE B 423       2.839 113.156 -26.373  1.00 35.10           C  
-ATOM   5904  N   GLU B 424      -1.162 114.669 -27.604  1.00 40.62           N  
-ATOM   5905  CA  GLU B 424      -1.979 113.504 -27.310  1.00 45.21           C  
-ATOM   5906  C   GLU B 424      -1.024 112.301 -27.241  1.00 47.03           C  
-ATOM   5907  O   GLU B 424      -0.311 112.032 -28.243  1.00 48.22           O  
-ATOM   5908  CB  GLU B 424      -3.049 113.307 -28.391  1.00 46.82           C  
-ATOM   5909  CG  GLU B 424      -4.436 113.031 -27.829  1.00 47.83           C  
-ATOM   5910  CD  GLU B 424      -5.247 112.071 -28.689  1.00 50.47           C  
-ATOM   5911  OE1 GLU B 424      -6.418 112.399 -28.954  1.00 52.72           O  
-ATOM   5912  OE2 GLU B 424      -4.738 110.984 -29.074  1.00 48.86           O  
-HETATM 5937 ZN    ZN B1001      18.142 132.126   5.224  1.00 13.62          ZN  
-HETATM 5938  C1  FPP B3011      24.384 130.619  -1.084  1.00 13.18           C  
-HETATM 5939  O1  FPP B3011      24.037 131.874  -0.485  1.00 13.34           O  
-HETATM 5940  C2  FPP B3011      23.158 129.928  -1.653  1.00 11.49           C  
-HETATM 5941  C3  FPP B3011      22.807 129.955  -2.966  1.00 12.50           C  
-HETATM 5942  C4  FPP B3011      23.619 130.685  -4.019  1.00 13.32           C  
-HETATM 5943  C5  FPP B3011      21.582 129.258  -3.528  1.00 12.04           C  
-HETATM 5944  C6  FPP B3011      20.555 128.772  -2.484  1.00 11.38           C  
-HETATM 5945  C7  FPP B3011      19.318 128.195  -3.128  1.00 10.91           C  
-HETATM 5946  C8  FPP B3011      18.143 128.017  -2.486  1.00 12.98           C  
-HETATM 5947  C10 FPP B3011      17.922 128.375  -1.041  1.00 11.99           C  
-HETATM 5948  C9  FPP B3011      16.924 127.436  -3.150  1.00 15.44           C  
-HETATM 5949  C11 FPP B3011      16.222 128.316  -4.155  1.00 16.12           C  
-HETATM 5950  C12 FPP B3011      15.030 127.594  -4.739  1.00 13.89           C  
-HETATM 5951  C13 FPP B3011      14.222 128.108  -5.671  1.00 14.22           C  
-HETATM 5952  C14 FPP B3011      14.409 129.479  -6.260  1.00 13.71           C  
-HETATM 5953  C15 FPP B3011      13.051 127.351  -6.220  1.00 15.78           C  
-HETATM 5954  PA  FPP B3011      24.774 132.280   0.870  1.00 13.90           P  
-HETATM 5955  O1A FPP B3011      26.256 132.196   0.792  1.00 13.26           O  
-HETATM 5956  O2A FPP B3011      24.288 133.697   1.167  1.00 11.83           O  
-HETATM 5957  O3A FPP B3011      24.191 131.347   2.022  1.00 12.60           O  
-HETATM 5958  PB  FPP B3011      24.905 130.269   2.950  1.00 12.65           P  
-HETATM 5959  O1B FPP B3011      26.019 130.852   3.755  1.00 12.03           O  
-HETATM 5960  O2B FPP B3011      25.392 129.156   2.004  1.00 12.05           O  
-HETATM 5961  O3B FPP B3011      23.762 129.718   3.823  1.00 13.04           O  
diff --git a/example/autodock_zn/xray_ligand.pdb b/example/autodock_zn/xray_ligand.pdb
deleted file mode 100644
index b88a6712..00000000
--- a/example/autodock_zn/xray_ligand.pdb
+++ /dev/null
@@ -1,29 +0,0 @@
-HETATM 5962  N1  778 B3012      18.561 135.205  -0.060  1.00 14.94           N  
-HETATM 5963  C2  778 B3012      17.265 135.644   0.465  1.00 15.43           C  
-HETATM 5964  C3  778 B3012      19.752 135.207   0.790  1.00 13.81           C  
-HETATM 5965  C4  778 B3012      18.950 135.892  -1.299  1.00 15.57           C  
-HETATM 5966  C5  778 B3012      16.328 135.043  -0.596  1.00 15.22           C  
-HETATM 5967  C7  778 B3012      19.595 134.126   1.857  1.00 13.72           C  
-HETATM 5968  C8  778 B3012      17.872 135.664  -2.402  1.00 16.59           C  
-HETATM 5969  N9  778 B3012      16.593 135.244  -2.023  1.00 17.55           N  
-HETATM 5970  N11 778 B3012      20.102 132.867   1.704  1.00 12.54           N  
-HETATM 5971  C12 778 B3012      18.961 134.245   3.040  1.00 13.36           C  
-HETATM 5972  O13 778 B3012      18.154 135.847  -3.571  1.00 19.69           O  
-HETATM 5973  C14 778 B3012      15.565 135.004  -2.907  1.00 19.66           C  
-HETATM 5974  C16 778 B3012      20.865 132.320   0.557  1.00 11.96           C  
-HETATM 5975  C17 778 B3012      19.810 132.153   2.774  1.00 12.36           C  
-HETATM 5976  N18 778 B3012      19.096 132.955   3.655  1.00 13.23           N  
-HETATM 5977  C20 778 B3012      15.030 133.727  -2.832  1.00 21.10           C  
-HETATM 5978  C21 778 B3012      15.030 135.947  -3.852  1.00 20.41           C  
-HETATM 5979  C25 778 B3012      20.051 132.206  -0.740  1.00 10.71           C  
-HETATM 5980  C26 778 B3012      13.977 133.325  -3.654  1.00 24.56           C  
-HETATM 5981  C27 778 B3012      13.967 135.545  -4.693  1.00 20.20           C  
-HETATM 5982  C28 778 B3012      20.616 132.593  -1.977  1.00 11.73           C  
-HETATM 5983  C29 778 B3012      18.737 131.718  -0.735  1.00 10.48           C  
-HETATM 5984  C30 778 B3012      13.440 134.232  -4.591  1.00 22.94           C  
-HETATM 5985 CL31 778 B3012      13.384 131.716  -3.463  1.00 31.99          CL  
-HETATM 5986  C32 778 B3012      19.881 132.484  -3.180  1.00 11.22           C  
-HETATM 5987  C33 778 B3012      18.008 131.610  -1.924  1.00 11.38           C  
-HETATM 5988  C34 778 B3012      18.587 131.995  -3.156  1.00 11.90           C  
-HETATM 5989  C35 778 B3012      17.895 131.879  -4.284  1.00 14.63           C  
-HETATM 5990  N36 778 B3012      17.286 131.773  -5.280  1.00 14.52           N  
diff --git a/example/chorizo/example-1-all-static.py b/example/chorizo/example-1-all-static.py
deleted file mode 100644
index b2e18d6a..00000000
--- a/example/chorizo/example-1-all-static.py
+++ /dev/null
@@ -1,18 +0,0 @@
-#!/usr/bin/env python
-
-from meeko import LinkedRDKitChorizo
-from meeko import PDBQTWriterLegacy
-
-# AHHY is named after the four residues A: alanine, H: histidine, Y: tyrosine
-# the protonation state of the histidines is determined based on the
-# existing H atoms (hydrogens). There are three templates for histidine
-# (HIE/HID/HIP) and the best match of all three is retained
-chorizo = LinkedRDKitChorizo("AHHY.pdb")
-print("nr of residues:", len(chorizo.residues))
-print("nr removed residues:", len(chorizo.removed_residues))
-
-# Make PDBQT for AutoDock-Vina or AutoDock-GPU
-pdbqt_strings = PDBQTWriterLegacy.write_string_from_linked_rdkit_chorizo(chorizo)
-rigid_part, movable_part = pdbqt_strings
-print("length of rigid pdbqt:", len(rigid_part))
-print("length of flexible residues pdbqt:", len(movable_part))
diff --git a/example/chorizo/example-2-flex-res.py b/example/chorizo/example-2-flex-res.py
deleted file mode 100644
index 017695a9..00000000
--- a/example/chorizo/example-2-flex-res.py
+++ /dev/null
@@ -1,26 +0,0 @@
-#!/usr/bin/env python
-
-from meeko import LinkedRDKitChorizo
-from meeko import PDBQTWriterLegacy
-from meeko import MoleculePreparation
-
-chorizo = LinkedRDKitChorizo("AHHY.pdb")
-
-mk_prep = MoleculePreparation() # makes RDKitMoleculeSetup (aka molsetup) instances from RDKit molecules. This is what is used for small molecule (ligand) preparation
-
-residue_id = "A:HIS:2" # <chain>:<resname>"<resnum>
-
-chorizo.res_to_molsetup(residue_id, mk_prep)
-
-# Make PDBQT for AutoDock-Vina or AutoDock-GPU
-pdbqt_strings = PDBQTWriterLegacy.write_string_from_linked_rdkit_chorizo(chorizo)
-rigid_part, movable_part = pdbqt_strings
-print("length of rigid pdbqt:", len(rigid_part))
-print("length of flexible residues pdbqt:", len(movable_part))
-
-
-# Residues that are parameterized with the stored data ("meeko/data/prot\_res\_params.json") don't currently get an RDKitMoleculeSetup (molsetup).
-for res in chorizo.res_list:
-    has_molsetup = "molsetup" in chorizo.residues[res]
-    print(res, "has molsetup:", has_molsetup)
-
diff --git a/example/chorizo/example-3-padded-mol.py b/example/chorizo/example-3-padded-mol.py
deleted file mode 100644
index f4d2e251..00000000
--- a/example/chorizo/example-3-padded-mol.py
+++ /dev/null
@@ -1,37 +0,0 @@
-#!/usr/bin/env python
-
-from meeko import LinkedRDKitChorizo
-from meeko import PDBQTWriterLegacy
-
-from rdkit import Chem
-
-
-pdb_fn = "just-three-residues.pdb"
-print(f"Loading {pdb_fn}")
-
-# Argument "termini" modifies the capping of terminal residues.
-# what happens internally is that we will prefix the residue name
-# with "N", so we will use the data stored for "NMET" instead of "MET".
-# it may be cleaner to pass something like {":MET:15": "NMET"},
-# i.e. treat it like a "mutation"
-termini = {":MET:15": "N"}
-
-chorizo = LinkedRDKitChorizo(pdb_fn, termini=termini)
-print("nr of residues:", len(chorizo.residues))
-print("nr removed residues:", len(chorizo.removed_residues))
-
-# Make PDBQT for AutoDock-Vina or AutoDock-GPU
-pdbqt_strings = PDBQTWriterLegacy.write_string_from_linked_rdkit_chorizo(chorizo)
-rigid_part, movable_part = pdbqt_strings
-print("length of rigid pdbqt:", len(rigid_part))
-print("length of flexible residues pdbqt:", len(movable_part))
-
-met15_padded, is_actual_res, atom_index_map = chorizo.get_padded_mol(":MET:15")
-met15_resmol = chorizo.residues[":MET:15"]["resmol"]
-
-# met15_padded is an instance of an RDMol
-# is_acutal_res is a list of bools to indicate whether each atom is MET15 or padding
-# atom_index_map maps the atom indices of the padded molecules (keys) to the
-# atom indices of the residue rdkit molecule (chorizo.residues[":MET:15"]["resmol"]
-Chem.MolToMolFile(met15_padded, "met15_padded.mol")
-Chem.MolToMolFile(met15_resmol, "met15_resmol.mol")
diff --git a/example/chorizo/example-4-mutating.py b/example/chorizo/example-4-mutating.py
deleted file mode 100644
index d31b2055..00000000
--- a/example/chorizo/example-4-mutating.py
+++ /dev/null
@@ -1,25 +0,0 @@
-#!/usr/bin/env python
-
-from meeko import LinkedRDKitChorizo
-from meeko import PDBQTWriterLegacy
-
-# We want both histidines to be "HIP" and to delete the tyrosine
-mutations = {
-        "A:HIS:2": "A:HIP:2",
-        "A:HIS:3": "A:HIP:3",
-        }
-delete_residues = ("A:TYR:4",)
-
-chorizo = LinkedRDKitChorizo(
-        "AHHY.pdb",
-        del_res=delete_residues,
-        mutate_res_dict=mutations)
-
-print("nr of residues:", len(chorizo.residues))
-print("nr removed residues:", len(chorizo.removed_residues)) # not deleted residues
-
-# Make PDBQT for AutoDock-Vina or AutoDock-GPU
-pdbqt_strings = PDBQTWriterLegacy.write_string_from_linked_rdkit_chorizo(chorizo)
-rigid_part, movable_part = pdbqt_strings
-print("length of rigid pdbqt:", len(rigid_part))
-print("length of flexible residues pdbqt:", len(movable_part))
diff --git a/example/chorizo/example-5-missing-atoms.py b/example/chorizo/example-5-missing-atoms.py
deleted file mode 100644
index 31e2b162..00000000
--- a/example/chorizo/example-5-missing-atoms.py
+++ /dev/null
@@ -1,27 +0,0 @@
-#!/usr/bin/env python
-
-from meeko import LinkedRDKitChorizo
-from meeko import PDBQTWriterLegacy
-
-
-# This works fine (ALA stands for alanine amino acid)
-chorizo = LinkedRDKitChorizo("just-one-ALA.pdb")
-
-# The following will raise an error because ALA has missing atoms
-# the line corresponding to atom named CB is missing
-try:
-    chorizo = LinkedRDKitChorizo("just-one-ALA-missing-CB.pdb")
-except RuntimeError as err:
-    print("Failed to read just-one-ALA-missing-CB.pdb")
-    print(err)
-
-# now we avoid the error and put the failed ALA in removed_residues
-chorizo = LinkedRDKitChorizo("just-one-ALA-missing-CB.pdb", allow_bad_res=True)
-
-print("nr of residues:", len(chorizo.residues))
-print("nr removed residues:", len(chorizo.removed_residues)) # not deleted residues
-
-# We would like to interact with the chorizo object in a way that
-# makes it natural to prompt the user to take deliberate action
-# to edit, build, or modify problematic residues, either from
-# a GUI or from a command line tool.
diff --git a/example/chorizo/example-6-exporting-parameters.py b/example/chorizo/example-6-exporting-parameters.py
deleted file mode 100644
index 1b7942cf..00000000
--- a/example/chorizo/example-6-exporting-parameters.py
+++ /dev/null
@@ -1,17 +0,0 @@
-#!/usr/bin/env python
-
-from meeko import LinkedRDKitChorizo
-from meeko import PDBQTWriterLegacy
-import numpy as np
-
-chorizo = LinkedRDKitChorizo("just-one-ALA.pdb")
-
-atom_params, coords = chorizo.export_static_atom_params()
-coords = np.array(coords)
-
-print("coordinates")
-print(coords)
-print("")
-print("atom parameters")
-for key, values in atom_params.items():
-    print(key, values)
diff --git a/example/chorizo/example-7-meeko-typing.py b/example/chorizo/example-7-meeko-typing.py
deleted file mode 100644
index 9eeae0e2..00000000
--- a/example/chorizo/example-7-meeko-typing.py
+++ /dev/null
@@ -1,25 +0,0 @@
-#!/usr/bin/env python
-
-from meeko import LinkedRDKitChorizo
-from meeko import PDBQTWriterLegacy
-from meeko import MoleculePreparation
-import numpy as np
-
-chorizo = LinkedRDKitChorizo("AHHY.pdb")
-
-atom_params, coords = chorizo.export_static_atom_params()
-default_types = atom_params["atom_type"]
-
-# modify atom type of tyrosine HD to HX
-new_atom_types = [{"smarts": "[H]Oc", "atype": "HX"}]
-mk_prep = MoleculePreparation(add_atom_types=new_atom_types)
-chorizo.mk_parameterize_residue("A:TYR:4", mk_prep)
-atom_params, coords = chorizo.export_static_atom_params()
-modified_types = atom_params["atom_type"]
-
-for deftype, modtype in zip(default_types, modified_types):
-    line = f"{deftype:5} {modtype:5}"
-    if deftype != modtype:
-        line += " <--"
-    print(line)
-
diff --git a/example/chorizo/output_AHHY_flex.pdbqt b/example/chorizo/output_AHHY_flex.pdbqt
deleted file mode 100644
index 2fb58190..00000000
--- a/example/chorizo/output_AHHY_flex.pdbqt
+++ /dev/null
@@ -1,17 +0,0 @@
-BEGIN_RES HIS A 3
-REMARK Flexibility Score: inf
-ROOT
-ATOM      1  C   UNL     1       0.243  -1.075  -0.553  1.00  0.00     0.177 C 
-ENDROOT
-BRANCH   1   2
-ATOM      2  C   UNL     1      -0.214  -2.454  -0.694  1.00  0.00     0.093 C 
-BRANCH   2   3
-ATOM      3  C   UNL     1       0.654  -3.363  -1.491  1.00  0.00     0.061 A 
-ATOM      4  N   UNL     1       1.819  -2.985  -2.046  1.00  0.00    -0.242 NA
-ATOM      5  C   UNL     1       0.457  -4.684  -1.802  1.00  0.00     0.107 A 
-ATOM      6  C   UNL     1       2.360  -4.051  -2.700  1.00  0.00     0.196 A 
-ATOM      7  N   UNL     1       1.515  -5.068  -2.538  1.00  0.00    -0.350 N 
-ATOM      8  H   UNL     1       1.651  -6.016  -2.918  1.00  0.00     0.167 HD
-ENDBRANCH   2   3
-ENDBRANCH   1   2
-END_RES HIS A 3
diff --git a/example/chorizo/output_AHHY_rigid.pdbqt b/example/chorizo/output_AHHY_rigid.pdbqt
deleted file mode 100644
index b70135cd..00000000
--- a/example/chorizo/output_AHHY_rigid.pdbqt
+++ /dev/null
@@ -1,36 +0,0 @@
-ATOM      1  C   ALA A   1       4.995   1.645  -1.690  1.00  0.00     0.243 C 
-ATOM      2  O   ALA A   1       5.294   0.515  -2.156  1.00  0.00    -0.272 OA
-ATOM      3  CA  ALA A   1       5.518   2.870  -2.403  1.00  0.00     0.168 C 
-ATOM      4  N   ALA A   1       6.061   2.529  -3.691  1.00  0.00    -0.344 N 
-ATOM      5  H   ALA A   1       6.927   1.985  -3.566  1.00  0.00     0.164 HD
-ATOM      6  CB  ALA A   1       4.421   3.891  -2.559  1.00  0.00     0.041 C 
-ATOM      7  C   HIS A   2       2.368   0.239  -0.349  1.00  0.00     0.242 C 
-ATOM      8  O   HIS A   2       1.827   0.959  -1.278  1.00  0.00    -0.272 OA
-ATOM      9  CA  HIS A   2       3.690   0.569   0.155  1.00  0.00     0.177 C 
-ATOM     10  N   HIS A   2       4.201   1.774  -0.543  1.00  0.00    -0.343 N 
-ATOM     11  H   HIS A   2       3.971   2.711  -0.182  1.00  0.00     0.164 HD
-ATOM     12  CB  HIS A   2       3.958   0.658   1.602  1.00  0.00     0.090 C 
-ATOM     13  CG  HIS A   2       3.518  -0.435   2.481  1.00  0.00     0.037 A 
-ATOM     14 ND1  HIS A   2       4.232  -1.588   2.706  1.00  0.00    -0.347 N 
-ATOM     15 HD1  HIS A   2       5.120  -1.737   2.040  1.00  0.00     0.167 HD
-ATOM     16 CE1  HIS A   2       3.592  -2.347   3.583  1.00  0.00     0.196 A 
-ATOM     17 NE2  HIS A   2       2.438  -1.715   3.961  1.00  0.00    -0.245 NA
-ATOM     18 CD2  HIS A   2       2.407  -0.562   3.290  1.00  0.00     0.134 A 
-ATOM     19  C   HIS A   3      -0.832  -0.126  -0.071  1.00  0.00     0.242 C 
-ATOM     20  O   HIS A   3      -0.560   1.096   0.147  1.00  0.00    -0.272 OA
-ATOM     21  N   HIS A   3       1.527  -0.823   0.040  1.00  0.00    -0.343 N 
-ATOM     22  H   HIS A   3       1.850  -1.452   0.789  1.00  0.00     0.164 HD
-ATOM     23  C   TYR A   4      -3.373   0.217   2.071  1.00  0.00     0.243 C 
-ATOM     24  O   TYR A   4      -2.656  -0.595   2.677  1.00  0.00    -0.272 OA
-ATOM     25  CA  TYR A   4      -3.237   0.354   0.596  1.00  0.00     0.175 C 
-ATOM     26  N   TYR A   4      -2.156  -0.543   0.154  1.00  0.00    -0.343 N 
-ATOM     27  H   TYR A   4      -2.383  -1.536   0.000  1.00  0.00     0.164 HD
-ATOM     28  CB  TYR A   4      -4.460  -0.123  -0.108  1.00  0.00     0.070 C 
-ATOM     29  CG  TYR A   4      -5.699   0.602   0.156  1.00  0.00    -0.045 A 
-ATOM     30 CD1  TYR A   4      -6.089   1.698  -0.613  1.00  0.00     0.007 A 
-ATOM     31 CE1  TYR A   4      -7.276   2.306  -0.282  1.00  0.00     0.046 A 
-ATOM     32  CZ  TYR A   4      -8.060   1.866   0.764  1.00  0.00     0.115 A 
-ATOM     33  OH  TYR A   4      -9.262   2.477   1.103  1.00  0.00    -0.507 OA
-ATOM     34  HH  TYR A   4      -9.644   3.279   0.612  1.00  0.00     0.294 HD
-ATOM     35 CE2  TYR A   4      -7.679   0.783   1.528  1.00  0.00     0.046 A 
-ATOM     36 CD2  TYR A   4      -6.492   0.168   1.200  1.00  0.00     0.007 A 
diff --git a/example/chorizo/run-mk_prepare_receptor.sh b/example/chorizo/run-mk_prepare_receptor.sh
deleted file mode 100644
index b156020e..00000000
--- a/example/chorizo/run-mk_prepare_receptor.sh
+++ /dev/null
@@ -1 +0,0 @@
-mk_prepare_receptor.py --pdb AHHY.pdb -o output_AHHY --skip_gpf -f "A:HIS:3"
diff --git a/example/chorizo/to-and-from-json.py b/example/chorizo/to-and-from-json.py
deleted file mode 100644
index 780ca1d4..00000000
--- a/example/chorizo/to-and-from-json.py
+++ /dev/null
@@ -1,28 +0,0 @@
-#!/usr/bin/env python
-
-import json
-
-from meeko import LinkedRDKitChorizo
-from meeko import ChorizoResidue
-from meeko import MoleculePreparation
-from meeko import RDKitMoleculeSetup
-from meeko.molsetup import MoleculeSetupEncoder
-
-with open("AHHY.pdb") as f:
-    pdb_str = f.read()
-
-chorizo = LinkedRDKitChorizo(pdb_str)
-mk_prep = MoleculePreparation()
-chorizo.flexibilize_protein_sidechain("A:TYR:4", mk_prep) # to add rdkit mol to molsetup
-residue = chorizo.residues["A:TYR:4"]
-
-# molsetup JSON conversion
-molsetup = residue.molsetup
-encoder = MoleculeSetupEncoder()
-d = encoder.default(molsetup)
-s = json.dumps(d)
-molsetup2 = RDKitMoleculeSetup.from_json(s)
-
-# chorizo residue JSON conversion
-jsonstr = residue.to_json()
-residue2 = ChorizoResidue.from_json(jsonstr) 
diff --git a/example/covalent_docking/ligand_including_cys_sidechain.sdf b/example/covalent_docking/ligand_including_cys_sidechain.sdf
deleted file mode 100644
index e92e5b40..00000000
--- a/example/covalent_docking/ligand_including_cys_sidechain.sdf
+++ /dev/null
@@ -1,154 +0,0 @@
-
-     RDKit          3D
-
- 73 76  0  0  0  0  0  0  0  0999 V2000
-   -0.7941   -3.2619   -4.1734 C   0  0  0  0  0  0  0  0  0  0  0  0
-   -1.2977   -4.0749   -3.1533 C   0  0  0  0  0  0  0  0  0  0  0  0
-   -1.9226   -3.5002   -2.0414 C   0  0  0  0  0  0  0  0  0  0  0  0
-   -2.0387   -2.1026   -1.9363 C   0  0  0  0  0  0  0  0  0  0  0  0
-   -1.5458   -1.2942   -2.9769 C   0  0  0  0  0  0  0  0  0  0  0  0
-   -0.9233   -1.8731   -4.0878 C   0  0  0  0  0  0  0  0  0  0  0  0
-   -2.6588   -1.4802   -0.7061 C   0  0  0  0  0  0  0  0  0  0  0  0
-   -1.8038   -1.7333    0.5686 C   0  0  2  0  0  0  0  0  0  0  0  0
-   -2.2994   -1.0143    1.8794 C   0  0  1  0  0  0  0  0  0  0  0  0
-   -2.3245    0.5013    1.7276 C   0  0  0  0  0  0  0  0  0  0  0  0
-   -1.3190    1.1798    2.0780 O   0  0  0  0  0  0  0  0  0  0  0  0
-   -3.4624    1.1770    1.1631 N   0  0  0  0  0  0  0  0  0  0  0  0
-   -3.4681    2.6174    0.9160 C   0  0  0  0  0  0  0  0  0  0  0  0
-   -2.6240    2.9405   -0.2811 C   0  0  0  0  0  0  0  0  0  0  0  0
-   -1.4294    3.6667   -0.1512 C   0  0  0  0  0  0  0  0  0  0  0  0
-   -0.6654    3.9343   -1.2908 C   0  0  0  0  0  0  0  0  0  0  0  0
-   -1.0907    3.4759   -2.5386 C   0  0  0  0  0  0  0  0  0  0  0  0
-   -2.2816    2.7535   -2.6286 C   0  0  0  0  0  0  0  0  0  0  0  0
-   -3.0159    2.5052   -1.5108 N   0  0  0  0  0  0  0  0  0  0  0  0
-   -3.5757   -1.4603    2.2813 O   0  0  0  0  0  0  0  0  0  0  0  0
-   -1.1426   -1.4278    3.2638 S   0  0  0  0  0  0  0  0  0  0  0  0
-   -1.6146   -3.1773    3.5499 C   0  0  0  0  0  0  0  0  0  0  0  0
-   -0.3832   -4.0673    3.4587 C   0  0  0  0  0  0  0  0  0  0  0  0
-   -0.3710   -1.4840    0.3255 N   0  0  0  0  0  0  0  0  0  0  0  0
-    0.1841   -0.2868   -0.2428 C   0  0  0  0  0  0  0  0  0  0  0  0
-   -0.5671    0.6425   -0.6398 O   0  0  0  0  0  0  0  0  0  0  0  0
-    1.6698   -0.1776   -0.4483 C   0  0  1  0  0  0  0  0  0  0  0  0
-    2.1026   -0.9109   -1.7406 C   0  0  0  0  0  0  0  0  0  0  0  0
-    2.4383    0.1696   -2.7808 C   0  0  0  0  0  0  0  0  0  0  0  0
-    2.5048    1.4025   -1.9711 C   0  0  0  0  0  0  0  0  0  0  0  0
-    2.8963    2.5140   -2.4189 O   0  0  0  0  0  0  0  0  0  0  0  0
-    2.0600    1.2136   -0.6406 N   0  0  0  0  0  0  0  0  0  0  0  0
-    2.1172    2.2181    0.4222 C   0  0  0  0  0  0  0  0  0  0  0  0
-    3.3864    2.0603    1.2106 C   0  0  0  0  0  0  0  0  0  0  0  0
-    3.4086    1.2653    2.3685 C   0  0  0  0  0  0  0  0  0  0  0  0
-    4.6006    1.0889    3.0775 C   0  0  0  0  0  0  0  0  0  0  0  0
-    5.7778    1.6981    2.6327 C   0  0  0  0  0  0  0  0  0  0  0  0
-    5.7648    2.4813    1.4759 C   0  0  0  0  0  0  0  0  0  0  0  0
-    4.5753    2.6588    0.7629 C   0  0  0  0  0  0  0  0  0  0  0  0
-   -0.3056   -3.7085   -5.0302 H   0  0  0  0  0  0  0  0  0  0  0  0
-   -1.2019   -5.1514   -3.2235 H   0  0  0  0  0  0  0  0  0  0  0  0
-   -2.3063   -4.1428   -1.2592 H   0  0  0  0  0  0  0  0  0  0  0  0
-   -1.6271   -0.2161   -2.9253 H   0  0  0  0  0  0  0  0  0  0  0  0
-   -0.5325   -1.2432   -4.8772 H   0  0  0  0  0  0  0  0  0  0  0  0
-   -3.6657   -1.9300   -0.5849 H   0  0  0  0  0  0  0  0  0  0  0  0
-   -2.8196   -0.3960   -0.8677 H   0  0  0  0  0  0  0  0  0  0  0  0
-   -1.9038   -2.8218    0.7617 H   0  0  0  0  0  0  0  0  0  0  0  0
-   -4.3135    0.6378    0.8949 H   0  0  0  0  0  0  0  0  0  0  0  0
-   -4.5088    2.9499    0.7135 H   0  0  0  0  0  0  0  0  0  0  0  0
-   -3.1210    3.1589    1.8239 H   0  0  0  0  0  0  0  0  0  0  0  0
-   -1.0899    4.0139    0.8171 H   0  0  0  0  0  0  0  0  0  0  0  0
-    0.2547    4.4979   -1.2060 H   0  0  0  0  0  0  0  0  0  0  0  0
-   -0.5033    3.6789   -3.4264 H   0  0  0  0  0  0  0  0  0  0  0  0
-   -2.6247    2.3925   -3.5882 H   0  0  0  0  0  0  0  0  0  0  0  0
-   -4.1786   -1.4981    1.4998 H   0  0  0  0  0  0  0  0  0  0  0  0
-   -2.0470   -3.2611    4.5699 H   0  0  0  0  0  0  0  0  0  0  0  0
-   -2.3768   -3.5437    2.8342 H   0  0  0  0  0  0  0  0  0  0  0  0
-    0.3279   -3.8104    4.2703 H   0  0  0  0  0  0  0  0  0  0  0  0
-   -0.6820   -5.1302    3.5699 H   0  0  0  0  0  0  0  0  0  0  0  0
-    0.1190   -3.9345    2.4790 H   0  0  0  0  0  0  0  0  0  0  0  0
-    0.2898   -2.2690    0.5267 H   0  0  0  0  0  0  0  0  0  0  0  0
-    2.2005   -0.6040    0.4297 H   0  0  0  0  0  0  0  0  0  0  0  0
-    1.3234   -1.6045   -2.1260 H   0  0  0  0  0  0  0  0  0  0  0  0
-    3.0176   -1.5082   -1.5308 H   0  0  0  0  0  0  0  0  0  0  0  0
-    3.4109   -0.0355   -3.2792 H   0  0  0  0  0  0  0  0  0  0  0  0
-    1.6224    0.2597   -3.5312 H   0  0  0  0  0  0  0  0  0  0  0  0
-    1.2334    2.1093    1.0873 H   0  0  0  0  0  0  0  0  0  0  0  0
-    2.0652    3.2388   -0.0143 H   0  0  0  0  0  0  0  0  0  0  0  0
-    2.5047    0.7827    2.7199 H   0  0  0  0  0  0  0  0  0  0  0  0
-    4.6129    0.4788    3.9707 H   0  0  0  0  0  0  0  0  0  0  0  0
-    6.6999    1.5618    3.1831 H   0  0  0  0  0  0  0  0  0  0  0  0
-    6.6781    2.9482    1.1301 H   0  0  0  0  0  0  0  0  0  0  0  0
-    4.5804    3.2622   -0.1359 H   0  0  0  0  0  0  0  0  0  0  0  0
-  1  2  2  0
-  2  3  1  0
-  3  4  2  0
-  4  5  1  0
-  5  6  2  0
-  4  7  1  0
-  7  8  1  0
-  8  9  1  0
-  9 10  1  0
- 10 11  2  0
- 10 12  1  0
- 12 13  1  0
- 13 14  1  0
- 14 15  2  0
- 15 16  1  0
- 16 17  2  0
- 17 18  1  0
- 18 19  2  0
-  9 20  1  1
-  9 21  1  0
- 21 22  1  0
- 22 23  1  0
-  8 24  1  0
- 24 25  1  0
- 25 26  2  0
- 25 27  1  0
- 27 28  1  0
- 28 29  1  0
- 29 30  1  0
- 30 31  2  0
- 30 32  1  0
- 32 33  1  0
- 33 34  1  0
- 34 35  2  0
- 35 36  1  0
- 36 37  2  0
- 37 38  1  0
- 38 39  2  0
-  6  1  1  0
- 19 14  1  0
- 32 27  1  0
- 39 34  1  0
-  1 40  1  0
-  2 41  1  0
-  3 42  1  0
-  5 43  1  0
-  6 44  1  0
-  7 45  1  0
-  7 46  1  0
-  8 47  1  1
- 12 48  1  0
- 13 49  1  0
- 13 50  1  0
- 15 51  1  0
- 16 52  1  0
- 17 53  1  0
- 18 54  1  0
- 20 55  1  0
- 22 56  1  0
- 22 57  1  0
- 23 58  1  0
- 23 59  1  0
- 23 60  1  0
- 24 61  1  0
- 27 62  1  1
- 28 63  1  0
- 28 64  1  0
- 29 65  1  0
- 29 66  1  0
- 33 67  1  0
- 33 68  1  0
- 35 69  1  0
- 36 70  1  0
- 37 71  1  0
- 38 72  1  0
- 39 73  1  0
-M  END
diff --git a/example/covalent_docking/prepared.pdbqt b/example/covalent_docking/prepared.pdbqt
deleted file mode 100644
index f1afbb74..00000000
--- a/example/covalent_docking/prepared.pdbqt
+++ /dev/null
@@ -1,81 +0,0 @@
-BEGIN_RES  CYS 6
-REMARK SMILES CCS[C@@](O)(C(=O)NCc1ccccn1)[C@@H](Cc1ccccc1)NC(=O)[C@H]1CCC(=O)N1Cc1ccccc1
-REMARK SMILES IDX 1 1 2 2 3 3 4 4 16 5 17 6 18 7 21 8 20 9 22 10 19 11 23 12
-REMARK SMILES IDX 24 13 25 14 26 16 27 17 28 18 32 19 29 20 30 21 31 22 33 23
-REMARK SMILES IDX 34 24 35 25 39 26 36 27 38 28 37 29 6 30 7 31 8 32 9 34
-REMARK SMILES IDX 10 35 11 36 15 37 12 38 14 39 13 40 5 41
-REMARK H PARENT 24 15 8 33 5 42
-REMARK Flexibility Score: inf
-ROOT
-ATOM      1  CA  UNL     1       8.151  -5.239  16.876  1.00  0.00     0.016 C 
-ENDROOT
-BRANCH   1   2
-ATOM      2  CB  UNL     1       8.885  -5.153  18.207  1.00  0.00     0.070 C 
-BRANCH   2   3
-ATOM      3  S   UNL     1       9.799  -6.713  18.517  1.00  0.00    -0.116 SA
-BRANCH   3   4
-ATOM      4  C   UNL     1      11.498  -6.031  18.788  1.00  0.00     0.210 C 
-BRANCH   4   5
-ATOM      5  C   UNL     1      12.081  -5.548  17.407  1.00  0.00     0.138 C 
-BRANCH   5   6
-ATOM      6  C   UNL     1      13.519  -4.956  17.449  1.00  0.00     0.065 C 
-BRANCH   6   7
-ATOM      7  C   UNL     1      14.041  -4.640  16.066  1.00  0.00    -0.046 A 
-ATOM      8  C   UNL     1      14.942  -4.118  13.456  1.00  0.00     0.000 A 
-ATOM      9  C   UNL     1      13.877  -3.385  13.988  1.00  0.00     0.000 A 
-ATOM     10  C   UNL     1      15.569  -5.100  14.228  1.00  0.00     0.000 A 
-ATOM     11  C   UNL     1      13.430  -3.640  15.289  1.00  0.00     0.004 A 
-ATOM     12  C   UNL     1      15.125  -5.359  15.529  1.00  0.00     0.004 A 
-ENDBRANCH   6   7
-ENDBRANCH   5   6
-BRANCH   5  13
-ATOM     13  N   UNL     1      11.947  -6.590  16.372  1.00  0.00    -0.347 N 
-ATOM     14  C   UNL     1      12.806  -7.732  16.220  1.00  0.00     0.243 C 
-ATOM     15  H   UNL     1      11.202  -6.453  15.651  1.00  0.00     0.164 HD
-ATOM     16  O   UNL     1      13.809  -7.884  16.966  1.00  0.00    -0.273 OA
-BRANCH  14  17
-ATOM     17  C   UNL     1      12.559  -8.708  15.103  1.00  0.00     0.175 C 
-ATOM     18  C   UNL     1      13.139  -8.179  13.770  1.00  0.00     0.045 C 
-ATOM     19  N   UNL     1      13.252  -9.965  15.358  1.00  0.00    -0.326 N 
-ATOM     20  C   UNL     1      14.401  -9.004  13.468  1.00  0.00     0.103 C 
-ATOM     21  C   UNL     1      14.296 -10.131  14.417  1.00  0.00     0.223 C 
-ATOM     22  O   UNL     1      15.067 -11.128  14.407  1.00  0.00    -0.275 OA
-BRANCH  19  23
-ATOM     23  C   UNL     1      12.835 -10.962  16.344  1.00  0.00     0.156 C 
-BRANCH  23  24
-ATOM     24  C   UNL     1      11.712 -11.793  15.791  1.00  0.00    -0.029 A 
-ATOM     25  C   UNL     1      10.376 -11.431  16.031  1.00  0.00     0.005 A 
-ATOM     26  C   UNL     1      11.989 -12.905  14.980  1.00  0.00     0.005 A 
-ATOM     27  C   UNL     1       9.334 -12.184  15.482  1.00  0.00     0.000 A 
-ATOM     28  C   UNL     1      10.943 -13.656  14.434  1.00  0.00     0.000 A 
-ATOM     29  C   UNL     1       9.617 -13.297  14.685  1.00  0.00     0.000 A 
-ENDBRANCH  23  24
-ENDBRANCH  19  23
-ENDBRANCH  14  17
-ENDBRANCH   5  13
-ENDBRANCH   4   5
-BRANCH   4  30
-ATOM     30  C   UNL     1      12.348  -7.128  19.417  1.00  0.00     0.265 C 
-ATOM     31  O   UNL     1      12.063  -8.339  19.199  1.00  0.00    -0.271 OA
-ATOM     32  N   UNL     1      13.490  -6.814  20.233  1.00  0.00    -0.347 N 
-ATOM     33  H   UNL     1      13.724  -5.821  20.449  1.00  0.00     0.164 HD
-BRANCH  32  34
-ATOM     34  C   UNL     1      14.376  -7.848  20.763  1.00  0.00     0.172 C 
-BRANCH  34  35
-ATOM     35  C   UNL     1      15.248  -8.391  19.670  1.00  0.00     0.060 A 
-ATOM     36  C   UNL     1      15.109  -9.715  19.221  1.00  0.00     0.026 A 
-ATOM     37  N   UNL     1      16.178  -7.580  19.093  1.00  0.00    -0.259 NA
-ATOM     38  C   UNL     1      15.932 -10.177  18.191  1.00  0.00     0.004 A 
-ATOM     39  C   UNL     1      16.984  -8.014  18.086  1.00  0.00     0.111 A 
-ATOM     40  C   UNL     1      16.876  -9.324  17.617  1.00  0.00     0.020 A 
-ENDBRANCH  34  35
-ENDBRANCH  32  34
-ENDBRANCH   4  30
-BRANCH   4  41
-ATOM     41  O   UNL     1      11.358  -4.970  19.707  1.00  0.00    -0.369 OA
-ATOM     42  H   UNL     1      12.174  -4.412  19.701  1.00  0.00     0.213 HD
-ENDBRANCH   4  41
-ENDBRANCH   3   4
-ENDBRANCH   2   3
-ENDBRANCH   1   2
-END_RES  CYS 6
diff --git a/example/covalent_docking/prepared_output_reference.pdbqt b/example/covalent_docking/prepared_output_reference.pdbqt
deleted file mode 100644
index f1afbb74..00000000
--- a/example/covalent_docking/prepared_output_reference.pdbqt
+++ /dev/null
@@ -1,81 +0,0 @@
-BEGIN_RES  CYS 6
-REMARK SMILES CCS[C@@](O)(C(=O)NCc1ccccn1)[C@@H](Cc1ccccc1)NC(=O)[C@H]1CCC(=O)N1Cc1ccccc1
-REMARK SMILES IDX 1 1 2 2 3 3 4 4 16 5 17 6 18 7 21 8 20 9 22 10 19 11 23 12
-REMARK SMILES IDX 24 13 25 14 26 16 27 17 28 18 32 19 29 20 30 21 31 22 33 23
-REMARK SMILES IDX 34 24 35 25 39 26 36 27 38 28 37 29 6 30 7 31 8 32 9 34
-REMARK SMILES IDX 10 35 11 36 15 37 12 38 14 39 13 40 5 41
-REMARK H PARENT 24 15 8 33 5 42
-REMARK Flexibility Score: inf
-ROOT
-ATOM      1  CA  UNL     1       8.151  -5.239  16.876  1.00  0.00     0.016 C 
-ENDROOT
-BRANCH   1   2
-ATOM      2  CB  UNL     1       8.885  -5.153  18.207  1.00  0.00     0.070 C 
-BRANCH   2   3
-ATOM      3  S   UNL     1       9.799  -6.713  18.517  1.00  0.00    -0.116 SA
-BRANCH   3   4
-ATOM      4  C   UNL     1      11.498  -6.031  18.788  1.00  0.00     0.210 C 
-BRANCH   4   5
-ATOM      5  C   UNL     1      12.081  -5.548  17.407  1.00  0.00     0.138 C 
-BRANCH   5   6
-ATOM      6  C   UNL     1      13.519  -4.956  17.449  1.00  0.00     0.065 C 
-BRANCH   6   7
-ATOM      7  C   UNL     1      14.041  -4.640  16.066  1.00  0.00    -0.046 A 
-ATOM      8  C   UNL     1      14.942  -4.118  13.456  1.00  0.00     0.000 A 
-ATOM      9  C   UNL     1      13.877  -3.385  13.988  1.00  0.00     0.000 A 
-ATOM     10  C   UNL     1      15.569  -5.100  14.228  1.00  0.00     0.000 A 
-ATOM     11  C   UNL     1      13.430  -3.640  15.289  1.00  0.00     0.004 A 
-ATOM     12  C   UNL     1      15.125  -5.359  15.529  1.00  0.00     0.004 A 
-ENDBRANCH   6   7
-ENDBRANCH   5   6
-BRANCH   5  13
-ATOM     13  N   UNL     1      11.947  -6.590  16.372  1.00  0.00    -0.347 N 
-ATOM     14  C   UNL     1      12.806  -7.732  16.220  1.00  0.00     0.243 C 
-ATOM     15  H   UNL     1      11.202  -6.453  15.651  1.00  0.00     0.164 HD
-ATOM     16  O   UNL     1      13.809  -7.884  16.966  1.00  0.00    -0.273 OA
-BRANCH  14  17
-ATOM     17  C   UNL     1      12.559  -8.708  15.103  1.00  0.00     0.175 C 
-ATOM     18  C   UNL     1      13.139  -8.179  13.770  1.00  0.00     0.045 C 
-ATOM     19  N   UNL     1      13.252  -9.965  15.358  1.00  0.00    -0.326 N 
-ATOM     20  C   UNL     1      14.401  -9.004  13.468  1.00  0.00     0.103 C 
-ATOM     21  C   UNL     1      14.296 -10.131  14.417  1.00  0.00     0.223 C 
-ATOM     22  O   UNL     1      15.067 -11.128  14.407  1.00  0.00    -0.275 OA
-BRANCH  19  23
-ATOM     23  C   UNL     1      12.835 -10.962  16.344  1.00  0.00     0.156 C 
-BRANCH  23  24
-ATOM     24  C   UNL     1      11.712 -11.793  15.791  1.00  0.00    -0.029 A 
-ATOM     25  C   UNL     1      10.376 -11.431  16.031  1.00  0.00     0.005 A 
-ATOM     26  C   UNL     1      11.989 -12.905  14.980  1.00  0.00     0.005 A 
-ATOM     27  C   UNL     1       9.334 -12.184  15.482  1.00  0.00     0.000 A 
-ATOM     28  C   UNL     1      10.943 -13.656  14.434  1.00  0.00     0.000 A 
-ATOM     29  C   UNL     1       9.617 -13.297  14.685  1.00  0.00     0.000 A 
-ENDBRANCH  23  24
-ENDBRANCH  19  23
-ENDBRANCH  14  17
-ENDBRANCH   5  13
-ENDBRANCH   4   5
-BRANCH   4  30
-ATOM     30  C   UNL     1      12.348  -7.128  19.417  1.00  0.00     0.265 C 
-ATOM     31  O   UNL     1      12.063  -8.339  19.199  1.00  0.00    -0.271 OA
-ATOM     32  N   UNL     1      13.490  -6.814  20.233  1.00  0.00    -0.347 N 
-ATOM     33  H   UNL     1      13.724  -5.821  20.449  1.00  0.00     0.164 HD
-BRANCH  32  34
-ATOM     34  C   UNL     1      14.376  -7.848  20.763  1.00  0.00     0.172 C 
-BRANCH  34  35
-ATOM     35  C   UNL     1      15.248  -8.391  19.670  1.00  0.00     0.060 A 
-ATOM     36  C   UNL     1      15.109  -9.715  19.221  1.00  0.00     0.026 A 
-ATOM     37  N   UNL     1      16.178  -7.580  19.093  1.00  0.00    -0.259 NA
-ATOM     38  C   UNL     1      15.932 -10.177  18.191  1.00  0.00     0.004 A 
-ATOM     39  C   UNL     1      16.984  -8.014  18.086  1.00  0.00     0.111 A 
-ATOM     40  C   UNL     1      16.876  -9.324  17.617  1.00  0.00     0.020 A 
-ENDBRANCH  34  35
-ENDBRANCH  32  34
-ENDBRANCH   4  30
-BRANCH   4  41
-ATOM     41  O   UNL     1      11.358  -4.970  19.707  1.00  0.00    -0.369 OA
-ATOM     42  H   UNL     1      12.174  -4.412  19.701  1.00  0.00     0.213 HD
-ENDBRANCH   4  41
-ENDBRANCH   3   4
-ENDBRANCH   2   3
-ENDBRANCH   1   2
-END_RES  CYS 6
diff --git a/example/covalent_docking/protein.pdb b/example/covalent_docking/protein.pdb
deleted file mode 100644
index 42d7ec6f..00000000
--- a/example/covalent_docking/protein.pdb
+++ /dev/null
@@ -1,399 +0,0 @@
-ATOM      1  N   PHE     1       2.919   1.979  13.161  1.00  0.00           N  
-ATOM      2  H1  PHE     1       2.397   2.669  13.682  1.00  0.00           H  
-ATOM      3  H2  PHE     1       2.324   1.600  12.438  1.00  0.00           H  
-ATOM      4  H3  PHE     1       3.821   2.366  12.922  1.00  0.00           H  
-ATOM      5  CA  PHE     1       3.207   0.849  14.060  1.00  0.00           C  
-ATOM      6  HA  PHE     1       2.772  -0.067  13.660  1.00  0.00           H  
-ATOM      7  CB  PHE     1       4.713   0.656  14.191  1.00  0.00           C  
-ATOM      8  HB2 PHE     1       5.128   1.646  14.383  1.00  0.00           H  
-ATOM      9  HB3 PHE     1       4.941  -0.002  15.029  1.00  0.00           H  
-ATOM     10  CG  PHE     1       5.449   0.105  12.998  1.00  0.00           C  
-ATOM     11  CD1 PHE     1       5.130  -1.126  12.444  1.00  0.00           C  
-ATOM     12  HD1 PHE     1       4.279  -1.682  12.837  1.00  0.00           H  
-ATOM     13  CE1 PHE     1       5.881  -1.652  11.401  1.00  0.00           C  
-ATOM     14  HE1 PHE     1       5.612  -2.617  10.970  1.00  0.00           H  
-ATOM     15  CZ  PHE     1       6.968  -0.954  10.909  1.00  0.00           C  
-ATOM     16  HZ  PHE     1       7.594  -1.385  10.128  1.00  0.00           H  
-ATOM     17  CE2 PHE     1       7.256   0.287  11.410  1.00  0.00           C  
-ATOM     18  HE2 PHE     1       8.071   0.868  10.979  1.00  0.00           H  
-ATOM     19  CD2 PHE     1       6.516   0.806  12.461  1.00  0.00           C  
-ATOM     20  HD2 PHE     1       6.771   1.780  12.878  1.00  0.00           H  
-ATOM     21  C   PHE     1       2.639   1.160  15.436  1.00  0.00           C  
-ATOM     22  O   PHE     1       2.765   2.306  15.908  1.00  0.00           O  
-ATOM     23  N   LEU     2       2.085   0.136  16.064  1.00  0.00           N  
-ATOM     24  H   LEU     2       2.042  -0.746  15.573  1.00  0.00           H  
-ATOM     25  CA  LEU     2       1.522   0.206  17.426  1.00  0.00           C  
-ATOM     26  HA  LEU     2       1.592   1.220  17.819  1.00  0.00           H  
-ATOM     27  CB  LEU     2       0.048  -0.195  17.370  1.00  0.00           C  
-ATOM     28  HB2 LEU     2       0.069  -1.244  17.073  1.00  0.00           H  
-ATOM     29  HB3 LEU     2      -0.359  -0.111  18.377  1.00  0.00           H  
-ATOM     30  CG  LEU     2      -0.831   0.592  16.398  1.00  0.00           C  
-ATOM     31  HG  LEU     2      -0.362   0.583  15.414  1.00  0.00           H  
-ATOM     32  CD1 LEU     2      -2.217  -0.024  16.304  1.00  0.00           C  
-ATOM     33 HD11 LEU     2      -2.686  -0.015  17.288  1.00  0.00           H  
-ATOM     34 HD12 LEU     2      -2.825   0.553  15.607  1.00  0.00           H  
-ATOM     35 HD13 LEU     2      -2.135  -1.052  15.950  1.00  0.00           H  
-ATOM     36  CD2 LEU     2      -0.936   2.050  16.823  1.00  0.00           C  
-ATOM     37 HD21 LEU     2       0.058   2.497  16.838  1.00  0.00           H  
-ATOM     38 HD22 LEU     2      -1.566   2.590  16.117  1.00  0.00           H  
-ATOM     39 HD23 LEU     2      -1.375   2.108  17.819  1.00  0.00           H  
-ATOM     40  C   LEU     2       2.297  -0.744  18.332  1.00  0.00           C  
-ATOM     41  O   LEU     2       3.145  -1.507  17.839  1.00  0.00           O  
-ATOM     42  N   ASN     3       1.971  -0.737  19.615  1.00  0.00           N  
-ATOM     43  H   ASN     3       1.342  -0.026  19.960  1.00  0.00           H  
-ATOM     44  CA  ASN     3       2.517  -1.722  20.581  1.00  0.00           C  
-ATOM     45  HA  ASN     3       3.587  -1.550  20.697  1.00  0.00           H  
-ATOM     46  CB  ASN     3       1.854  -1.609  21.951  1.00  0.00           C  
-ATOM     47  HB2 ASN     3       0.778  -1.723  21.817  1.00  0.00           H  
-ATOM     48  HB3 ASN     3       2.225  -2.405  22.596  1.00  0.00           H  
-ATOM     49  CG  ASN     3       2.119  -0.282  22.621  1.00  0.00           C  
-ATOM     50  OD1 ASN     3       3.077   0.402  22.282  1.00  0.00           O  
-ATOM     51  ND2 ASN     3       1.283   0.078  23.581  1.00  0.00           N  
-ATOM     52 HD21 ASN     3       1.417   0.957  24.060  1.00  0.00           H  
-ATOM     53 HD22 ASN     3       0.514  -0.528  23.830  1.00  0.00           H  
-ATOM     54  C   ASN     3       2.301  -3.129  20.022  1.00  0.00           C  
-ATOM     55  O   ASN     3       1.180  -3.427  19.556  1.00  0.00           O  
-ATOM     56  N   GLY     4       3.344  -3.952  20.044  1.00  0.00           N  
-ATOM     57  H   GLY     4       4.221  -3.607  20.406  1.00  0.00           H  
-ATOM     58  CA  GLY     4       3.285  -5.341  19.567  1.00  0.00           C  
-ATOM     59  HA2 GLY     4       3.951  -5.940  20.188  1.00  0.00           H  
-ATOM     60  HA3 GLY     4       2.261  -5.696  19.687  1.00  0.00           H  
-ATOM     61  C   GLY     4       3.694  -5.494  18.113  1.00  0.00           C  
-ATOM     62  O   GLY     4       3.712  -6.649  17.649  1.00  0.00           O  
-ATOM     63  N   SER     5       4.046  -4.404  17.423  1.00  0.00           N  
-ATOM     64  H   SER     5       3.971  -3.507  17.882  1.00  0.00           H  
-ATOM     65  CA  SER     5       4.488  -4.435  16.001  1.00  0.00           C  
-ATOM     66  HA  SER     5       3.908  -5.187  15.466  1.00  0.00           H  
-ATOM     67  CB  SER     5       4.299  -3.113  15.322  1.00  0.00           C  
-ATOM     68  HB2 SER     5       4.660  -3.188  14.296  1.00  0.00           H  
-ATOM     69  HB3 SER     5       3.237  -2.868  15.315  1.00  0.00           H  
-ATOM     70  OG  SER     5       5.013  -2.096  16.000  1.00  0.00           O  
-ATOM     71  HG  SER     5       4.880  -1.258  15.551  1.00  0.00           H  
-ATOM     72  C   SER     5       5.955  -4.854  15.873  1.00  0.00           C  
-ATOM     73  O   SER     5       6.369  -5.172  14.752  1.00  0.00           O  
-ATOM     74  N   CYS     6       6.730  -4.858  16.953  1.00  0.00           N  
-ATOM     75  H   CYS     6       6.379  -4.499  17.829  1.00  0.00           H  
-ATOM     76  CA  CYS     6       8.150  -5.239  16.874  1.00  0.00           C  
-ATOM     77  HA  CYS     6       8.640  -4.575  16.162  1.00  0.00           H  
-ATOM     78  CB  CYS     6       8.886  -5.153  18.209  1.00  0.00           C  
-ATOM     79  HB2 CYS     6       9.772  -5.788  18.188  1.00  0.00           H  
-ATOM     80  HB3 CYS     6       9.183  -4.123  18.405  1.00  0.00           H  
-ATOM     81  SG  CYS     6       7.926  -5.680  19.645  1.00  0.00           S  
-ATOM     82  HG  CYS     6       8.883  -5.458  20.541  1.00  0.00           H  
-ATOM     83  C   CYS     6       8.254  -6.623  16.226  1.00  0.00           C  
-ATOM     84  O   CYS     6       7.473  -7.533  16.567  1.00  0.00           O  
-ATOM     85  N   GLY     7       9.229  -6.776  15.333  1.00  0.00           N  
-ATOM     86  H   GLY     7       9.854  -6.000  15.168  1.00  0.00           H  
-ATOM     87  CA  GLY     7       9.444  -8.018  14.573  1.00  0.00           C  
-ATOM     88  HA2 GLY     7      10.516  -8.155  14.433  1.00  0.00           H  
-ATOM     89  HA3 GLY     7       9.044  -8.850  15.153  1.00  0.00           H  
-ATOM     90  C   GLY     7       8.768  -7.993  13.214  1.00  0.00           C  
-ATOM     91  O   GLY     7       9.066  -8.879  12.407  1.00  0.00           O  
-ATOM     92  N   SER     8       7.882  -7.027  12.955  1.00  0.00           N  
-ATOM     93  H   SER     8       7.519  -6.473  13.718  1.00  0.00           H  
-ATOM     94  CA  SER     8       7.375  -6.757  11.585  1.00  0.00           C  
-ATOM     95  HA  SER     8       6.850  -7.638  11.215  1.00  0.00           H  
-ATOM     96  CB  SER     8       6.426  -5.589  11.568  1.00  0.00           C  
-ATOM     97  HB2 SER     8       6.945  -4.723  11.979  1.00  0.00           H  
-ATOM     98  HB3 SER     8       6.152  -5.389  10.532  1.00  0.00           H  
-ATOM     99  OG  SER     8       5.252  -5.842  12.328  1.00  0.00           O  
-ATOM    100  HG  SER     8       4.676  -5.075  12.291  1.00  0.00           H  
-ATOM    101  C   SER     8       8.562  -6.484  10.662  1.00  0.00           C  
-ATOM    102  O   SER     8       9.535  -5.876  11.109  1.00  0.00           O  
-ATOM    103  N   VAL     9       8.464  -6.882   9.405  1.00  0.00           N  
-ATOM    104  H   VAL     9       7.651  -7.396   9.096  1.00  0.00           H  
-ATOM    105  CA  VAL     9       9.597  -6.727   8.463  1.00  0.00           C  
-ATOM    106  HA  VAL     9      10.405  -6.115   8.865  1.00  0.00           H  
-ATOM    107  CB  VAL     9      10.177  -8.082   8.028  1.00  0.00           C  
-ATOM    108  HB  VAL     9      10.990  -7.903   7.324  1.00  0.00           H  
-ATOM    109  CG1 VAL     9      10.702  -8.862   9.220  1.00  0.00           C  
-ATOM    110 HG11 VAL     9       9.889  -9.042   9.924  1.00  0.00           H  
-ATOM    111 HG12 VAL     9      11.106  -9.816   8.881  1.00  0.00           H  
-ATOM    112 HG13 VAL     9      11.488  -8.289   9.712  1.00  0.00           H  
-ATOM    113  CG2 VAL     9       9.193  -8.914   7.235  1.00  0.00           C  
-ATOM    114 HG21 VAL     9       8.901  -8.373   6.335  1.00  0.00           H  
-ATOM    115 HG22 VAL     9       9.658  -9.859   6.955  1.00  0.00           H  
-ATOM    116 HG23 VAL     9       8.310  -9.110   7.843  1.00  0.00           H  
-ATOM    117  C   VAL     9       9.257  -5.852   7.258  1.00  0.00           C  
-ATOM    118  O   VAL     9       8.085  -5.713   6.848  1.00  0.00           O  
-ATOM    119  N   GLY    10      10.334  -5.320   6.701  1.00  0.00           N  
-ATOM    120  H   GLY    10      11.201  -5.467   7.197  1.00  0.00           H  
-ATOM    121  CA  GLY    10      10.369  -4.555   5.454  1.00  0.00           C  
-ATOM    122  HA2 GLY    10       9.354  -4.358   5.110  1.00  0.00           H  
-ATOM    123  HA3 GLY    10      10.888  -3.610   5.612  1.00  0.00           H  
-ATOM    124  C   GLY    10      11.101  -5.347   4.396  1.00  0.00           C  
-ATOM    125  O   GLY    10      12.061  -6.074   4.733  1.00  0.00           O  
-ATOM    126  N   PHE    11      10.685  -5.212   3.142  1.00  0.00           N  
-ATOM    127  H   PHE    11       9.959  -4.547   2.917  1.00  0.00           H  
-ATOM    128  CA  PHE    11      11.219  -6.060   2.056  1.00  0.00           C  
-ATOM    129  HA  PHE    11      12.295  -6.192   2.168  1.00  0.00           H  
-ATOM    130  CB  PHE    11      10.548  -7.434   2.121  1.00  0.00           C  
-ATOM    131  HB2 PHE    11      10.924  -8.113   1.356  1.00  0.00           H  
-ATOM    132  HB3 PHE    11      10.728  -7.862   3.107  1.00  0.00           H  
-ATOM    133  CG  PHE    11       9.055  -7.372   1.945  1.00  0.00           C  
-ATOM    134  CD1 PHE    11       8.225  -7.079   3.018  1.00  0.00           C  
-ATOM    135  HD1 PHE    11       8.661  -6.914   4.004  1.00  0.00           H  
-ATOM    136  CE1 PHE    11       6.851  -6.995   2.844  1.00  0.00           C  
-ATOM    137  HE1 PHE    11       6.207  -6.768   3.694  1.00  0.00           H  
-ATOM    138  CZ  PHE    11       6.302  -7.197   1.602  1.00  0.00           C  
-ATOM    139  HZ  PHE    11       5.223  -7.121   1.465  1.00  0.00           H  
-ATOM    140  CE2 PHE    11       7.111  -7.495   0.533  1.00  0.00           C  
-ATOM    141  HE2 PHE    11       6.668  -7.680  -0.446  1.00  0.00           H  
-ATOM    142  CD2 PHE    11       8.486  -7.561   0.695  1.00  0.00           C  
-ATOM    143  HD2 PHE    11       9.127  -7.763  -0.163  1.00  0.00           H  
-ATOM    144  C   PHE    11      11.002  -5.408   0.694  1.00  0.00           C  
-ATOM    145  O   PHE    11      10.146  -4.533   0.529  1.00  0.00           O  
-ATOM    146  N   ASN    12      11.777  -5.901  -0.262  1.00  0.00           N  
-ATOM    147  H   ASN    12      12.579  -6.440   0.032  1.00  0.00           H  
-ATOM    148  CA  ASN    12      11.580  -5.671  -1.706  1.00  0.00           C  
-ATOM    149  HA  ASN    12      10.640  -5.142  -1.862  1.00  0.00           H  
-ATOM    150  CB  ASN    12      12.713  -4.838  -2.299  1.00  0.00           C  
-ATOM    151  HB2 ASN    12      13.648  -5.234  -1.903  1.00  0.00           H  
-ATOM    152  HB3 ASN    12      12.709  -4.936  -3.385  1.00  0.00           H  
-ATOM    153  CG  ASN    12      12.622  -3.373  -1.946  1.00  0.00           C  
-ATOM    154  OD1 ASN    12      11.998  -2.596  -2.666  1.00  0.00           O  
-ATOM    155  ND2 ASN    12      13.264  -2.985  -0.860  1.00  0.00           N  
-ATOM    156 HD21 ASN    12      13.235  -2.015  -0.579  1.00  0.00           H  
-ATOM    157 HD22 ASN    12      13.781  -3.660  -0.315  1.00  0.00           H  
-ATOM    158  C   ASN    12      11.477  -7.044  -2.360  1.00  0.00           C  
-ATOM    159  O   ASN    12      11.932  -8.022  -1.769  1.00  0.00           O  
-ATOM    160  N   ILE    13      10.888  -7.110  -3.542  1.00  0.00           N  
-ATOM    161  H   ILE    13      10.374  -6.315  -3.894  1.00  0.00           H  
-ATOM    162  CA  ILE    13      10.864  -8.371  -4.332  1.00  0.00           C  
-ATOM    163  HA  ILE    13      11.534  -9.129  -3.926  1.00  0.00           H  
-ATOM    164  CB  ILE    13       9.434  -8.939  -4.410  1.00  0.00           C  
-ATOM    165  HB  ILE    13       8.803  -8.247  -4.967  1.00  0.00           H  
-ATOM    166  CG2 ILE    13       9.447 -10.291  -5.112  1.00  0.00           C  
-ATOM    167 HG21 ILE    13      10.078 -10.984  -4.555  1.00  0.00           H  
-ATOM    168 HG22 ILE    13       8.432 -10.685  -5.162  1.00  0.00           H  
-ATOM    169 HG23 ILE    13       9.841 -10.173  -6.121  1.00  0.00           H  
-ATOM    170  CG1 ILE    13       8.784  -9.030  -3.025  1.00  0.00           C  
-ATOM    171 HG12 ILE    13       9.447  -9.628  -2.400  1.00  0.00           H  
-ATOM    172 HG13 ILE    13       8.731  -8.015  -2.630  1.00  0.00           H  
-ATOM    173  CD1 ILE    13       7.404  -9.643  -3.024  1.00  0.00           C  
-ATOM    174 HD11 ILE    13       7.456 -10.658  -3.418  1.00  0.00           H  
-ATOM    175 HD12 ILE    13       7.018  -9.669  -2.005  1.00  0.00           H  
-ATOM    176 HD13 ILE    13       6.740  -9.045  -3.648  1.00  0.00           H  
-ATOM    177  C   ILE    13      11.483  -8.107  -5.710  1.00  0.00           C  
-ATOM    178  O   ILE    13      11.157  -7.064  -6.313  1.00  0.00           O  
-ATOM    179  N   ASP    14      12.378  -9.002  -6.148  1.00  0.00           N  
-ATOM    180  H   ASP    14      12.785  -9.602  -5.445  1.00  0.00           H  
-ATOM    181  CA  ASP    14      12.866  -9.125  -7.549  1.00  0.00           C  
-ATOM    182  HA  ASP    14      12.429  -8.323  -8.144  1.00  0.00           H  
-ATOM    183  CB  ASP    14      14.395  -9.035  -7.651  1.00  0.00           C  
-ATOM    184  HB2 ASP    14      14.681  -8.052  -7.277  1.00  0.00           H  
-ATOM    185  HB3 ASP    14      14.803  -9.805  -6.996  1.00  0.00           H  
-ATOM    186  CG  ASP    14      14.946  -9.222  -9.061  1.00  0.00           C  
-ATOM    187  OD1 ASP    14      14.150  -9.160 -10.017  1.00  0.00           O  
-ATOM    188  OD2 ASP    14      16.174  -9.430  -9.194  1.00  0.00           O  
-ATOM    189  C   ASP    14      12.329 -10.452  -8.105  1.00  0.00           C  
-ATOM    190  O   ASP    14      12.867 -11.518  -7.741  1.00  0.00           O  
-ATOM    191  N   TYR    15      11.302 -10.363  -8.953  1.00  0.00           N  
-ATOM    192  H   TYR    15      11.016  -9.416  -9.159  1.00  0.00           H  
-ATOM    193  CA  TYR    15      10.493 -11.480  -9.509  1.00  0.00           C  
-ATOM    194  HA  TYR    15       9.568 -11.073  -9.917  1.00  0.00           H  
-ATOM    195  CB  TYR    15      11.224 -12.241 -10.619  1.00  0.00           C  
-ATOM    196  HB2 TYR    15      11.487 -11.491 -11.365  1.00  0.00           H  
-ATOM    197  HB3 TYR    15      12.133 -12.706 -10.236  1.00  0.00           H  
-ATOM    198  CG  TYR    15      10.349 -13.295 -11.253  1.00  0.00           C  
-ATOM    199  CD1 TYR    15       9.129 -12.947 -11.816  1.00  0.00           C  
-ATOM    200  HD1 TYR    15       8.839 -11.896 -11.815  1.00  0.00           H  
-ATOM    201  CE1 TYR    15       8.287 -13.898 -12.370  1.00  0.00           C  
-ATOM    202  HE1 TYR    15       7.336 -13.599 -12.810  1.00  0.00           H  
-ATOM    203  CZ  TYR    15       8.658 -15.232 -12.364  1.00  0.00           C  
-ATOM    204  OH  TYR    15       7.830 -16.167 -12.920  1.00  0.00           O  
-ATOM    205  HH  TYR    15       7.026 -15.788 -13.282  1.00  0.00           H  
-ATOM    206  CE2 TYR    15       9.864 -15.604 -11.794  1.00  0.00           C  
-ATOM    207  HE2 TYR    15      10.163 -16.652 -11.781  1.00  0.00           H  
-ATOM    208  CD2 TYR    15      10.693 -14.639 -11.238  1.00  0.00           C  
-ATOM    209  HD2 TYR    15      11.637 -14.931 -10.777  1.00  0.00           H  
-ATOM    210  C   TYR    15      10.020 -12.426  -8.399  1.00  0.00           C  
-ATOM    211  O   TYR    15       8.921 -12.210  -7.871  1.00  0.00           O  
-ATOM    212  N   ASP    16      10.800 -13.456  -8.061  1.00  0.00           N  
-ATOM    213  H   ASP    16      11.703 -13.563  -8.500  1.00  0.00           H  
-ATOM    214  CA  ASP    16      10.348 -14.509  -7.113  1.00  0.00           C  
-ATOM    215  HA  ASP    16       9.318 -14.310  -6.817  1.00  0.00           H  
-ATOM    216  CB  ASP    16      10.414 -15.899  -7.747  1.00  0.00           C  
-ATOM    217  HB2 ASP    16      10.132 -16.602  -6.963  1.00  0.00           H  
-ATOM    218  HB3 ASP    16       9.679 -15.939  -8.551  1.00  0.00           H  
-ATOM    219  CG  ASP    16      11.780 -16.270  -8.292  1.00  0.00           C  
-ATOM    220  OD1 ASP    16      12.699 -15.426  -8.221  1.00  0.00           O  
-ATOM    221  OD2 ASP    16      11.908 -17.397  -8.807  1.00  0.00           O  
-ATOM    222  C   ASP    16      11.170 -14.458  -5.824  1.00  0.00           C  
-ATOM    223  O   ASP    16      10.929 -15.308  -4.958  1.00  0.00           O  
-ATOM    224  N   CYS    17      12.098 -13.505  -5.703  1.00  0.00           N  
-ATOM    225  H   CYS    17      12.163 -12.813  -6.436  1.00  0.00           H  
-ATOM    226  CA  CYS    17      13.072 -13.440  -4.585  1.00  0.00           C  
-ATOM    227  HA  CYS    17      12.992 -14.344  -3.982  1.00  0.00           H  
-ATOM    228  CB  CYS    17      14.497 -13.325  -5.102  1.00  0.00           C  
-ATOM    229  HB2 CYS    17      14.741 -14.141  -5.782  1.00  0.00           H  
-ATOM    230  HB3 CYS    17      14.663 -12.372  -5.605  1.00  0.00           H  
-ATOM    231  SG  CYS    17      15.714 -13.405  -3.765  1.00  0.00           S  
-ATOM    232  HG  CYS    17      16.785 -13.279  -4.544  1.00  0.00           H  
-ATOM    233  C   CYS    17      12.751 -12.265  -3.661  1.00  0.00           C  
-ATOM    234  O   CYS    17      12.749 -11.104  -4.124  1.00  0.00           O  
-ATOM    235  N   VAL    18      12.499 -12.562  -2.388  1.00  0.00           N  
-ATOM    236  H   VAL    18      12.463 -13.531  -2.106  1.00  0.00           H  
-ATOM    237  CA  VAL    18      12.221 -11.520  -1.366  1.00  0.00           C  
-ATOM    238  HA  VAL    18      11.818 -10.606  -1.802  1.00  0.00           H  
-ATOM    239  CB  VAL    18      11.256 -12.012  -0.279  1.00  0.00           C  
-ATOM    240  HB  VAL    18      11.709 -12.859   0.237  1.00  0.00           H  
-ATOM    241  CG1 VAL    18      10.964 -10.905   0.723  1.00  0.00           C  
-ATOM    242 HG11 VAL    18      10.511 -10.058   0.208  1.00  0.00           H  
-ATOM    243 HG12 VAL    18      10.278 -11.275   1.485  1.00  0.00           H  
-ATOM    244 HG13 VAL    18      11.894 -10.587   1.195  1.00  0.00           H  
-ATOM    245  CG2 VAL    18       9.972 -12.568  -0.871  1.00  0.00           C  
-ATOM    246 HG21 VAL    18      10.207 -13.408  -1.525  1.00  0.00           H  
-ATOM    247 HG22 VAL    18       9.317 -12.905  -0.068  1.00  0.00           H  
-ATOM    248 HG23 VAL    18       9.470 -11.790  -1.446  1.00  0.00           H  
-ATOM    249  C   VAL    18      13.547 -11.092  -0.743  1.00  0.00           C  
-ATOM    250  O   VAL    18      14.228 -11.944  -0.158  1.00  0.00           O  
-ATOM    251  N   SER    19      13.888  -9.810  -0.864  1.00  0.00           N  
-ATOM    252  H   SER    19      13.356  -9.233  -1.500  1.00  0.00           H  
-ATOM    253  CA  SER    19      15.057  -9.210  -0.184  1.00  0.00           C  
-ATOM    254  HA  SER    19      15.735 -10.005   0.128  1.00  0.00           H  
-ATOM    255  CB  SER    19      15.807  -8.263  -1.086  1.00  0.00           C  
-ATOM    256  HB2 SER    19      15.092  -7.610  -1.586  1.00  0.00           H  
-ATOM    257  HB3 SER    19      16.486  -7.662  -0.481  1.00  0.00           H  
-ATOM    258  OG  SER    19      16.551  -8.982  -2.059  1.00  0.00           O  
-ATOM    259  HG  SER    19      17.021  -8.364  -2.623  1.00  0.00           H  
-ATOM    260  C   SER    19      14.560  -8.531   1.088  1.00  0.00           C  
-ATOM    261  O   SER    19      13.945  -7.452   0.996  1.00  0.00           O  
-ATOM    262  N   PHE    20      14.790  -9.165   2.237  1.00  0.00           N  
-ATOM    263  H   PHE    20      15.215 -10.081   2.220  1.00  0.00           H  
-ATOM    264  CA  PHE    20      14.412  -8.592   3.546  1.00  0.00           C  
-ATOM    265  HA  PHE    20      13.442  -8.101   3.467  1.00  0.00           H  
-ATOM    266  CB  PHE    20      14.320  -9.686   4.602  1.00  0.00           C  
-ATOM    267  HB2 PHE    20      15.244 -10.263   4.635  1.00  0.00           H  
-ATOM    268  HB3 PHE    20      14.137  -9.238   5.579  1.00  0.00           H  
-ATOM    269  CG  PHE    20      13.207 -10.669   4.365  1.00  0.00           C  
-ATOM    270  CD1 PHE    20      11.892 -10.340   4.668  1.00  0.00           C  
-ATOM    271  HD1 PHE    20      11.668  -9.359   5.086  1.00  0.00           H  
-ATOM    272  CE1 PHE    20      10.868 -11.249   4.443  1.00  0.00           C  
-ATOM    273  HE1 PHE    20       9.839 -10.984   4.686  1.00  0.00           H  
-ATOM    274  CZ  PHE    20      11.153 -12.485   3.913  1.00  0.00           C  
-ATOM    275  HZ  PHE    20      10.348 -13.195   3.723  1.00  0.00           H  
-ATOM    276  CE2 PHE    20      12.453 -12.826   3.622  1.00  0.00           C  
-ATOM    277  HE2 PHE    20      12.676 -13.817   3.227  1.00  0.00           H  
-ATOM    278  CD2 PHE    20      13.478 -11.916   3.829  1.00  0.00           C  
-ATOM    279  HD2 PHE    20      14.503 -12.181   3.569  1.00  0.00           H  
-ATOM    280  C   PHE    20      15.455  -7.549   3.934  1.00  0.00           C  
-ATOM    281  O   PHE    20      16.659  -7.872   3.961  1.00  0.00           O  
-ATOM    282  N   CYS    21      15.006  -6.338   4.242  1.00  0.00           N  
-ATOM    283  H   CYS    21      14.013  -6.152   4.228  1.00  0.00           H  
-ATOM    284  CA  CYS    21      15.924  -5.220   4.548  1.00  0.00           C  
-ATOM    285  HA  CYS    21      16.944  -5.600   4.598  1.00  0.00           H  
-ATOM    286  CB  CYS    21      15.863  -4.131   3.491  1.00  0.00           C  
-ATOM    287  HB2 CYS    21      16.480  -3.282   3.783  1.00  0.00           H  
-ATOM    288  HB3 CYS    21      16.205  -4.514   2.530  1.00  0.00           H  
-ATOM    289  SG  CYS    21      14.203  -3.470   3.206  1.00  0.00           S  
-ATOM    290  HG  CYS    21      14.560  -2.596   2.269  1.00  0.00           H  
-ATOM    291  C   CYS    21      15.658  -4.589   5.912  1.00  0.00           C  
-ATOM    292  O   CYS    21      16.509  -3.830   6.353  1.00  0.00           O  
-ATOM    293  N   TYR    22      14.563  -4.898   6.589  1.00  0.00           N  
-ATOM    294  H   TYR    22      13.942  -5.621   6.255  1.00  0.00           H  
-ATOM    295  CA  TYR    22      14.192  -4.170   7.824  1.00  0.00           C  
-ATOM    296  HA  TYR    22      15.099  -3.846   8.334  1.00  0.00           H  
-ATOM    297  CB  TYR    22      13.335  -2.940   7.524  1.00  0.00           C  
-ATOM    298  HB2 TYR    22      13.907  -2.325   6.829  1.00  0.00           H  
-ATOM    299  HB3 TYR    22      12.437  -3.309   7.028  1.00  0.00           H  
-ATOM    300  CG  TYR    22      12.942  -2.109   8.726  1.00  0.00           C  
-ATOM    301  CD1 TYR    22      13.834  -1.214   9.297  1.00  0.00           C  
-ATOM    302  HD1 TYR    22      14.831  -1.126   8.865  1.00  0.00           H  
-ATOM    303  CE1 TYR    22      13.483  -0.441  10.392  1.00  0.00           C  
-ATOM    304  HE1 TYR    22      14.205   0.256  10.818  1.00  0.00           H  
-ATOM    305  CZ  TYR    22      12.225  -0.561  10.952  1.00  0.00           C  
-ATOM    306  OH  TYR    22      11.898   0.197  12.050  1.00  0.00           O  
-ATOM    307  HH  TYR    22      12.614   0.768  12.338  1.00  0.00           H  
-ATOM    308  CE2 TYR    22      11.316  -1.437  10.383  1.00  0.00           C  
-ATOM    309  HE2 TYR    22      10.310  -1.518  10.795  1.00  0.00           H  
-ATOM    310  CD2 TYR    22      11.681  -2.207   9.295  1.00  0.00           C  
-ATOM    311  HD2 TYR    22      10.971  -2.912   8.864  1.00  0.00           H  
-ATOM    312  C   TYR    22      13.443  -5.110   8.753  1.00  0.00           C  
-ATOM    313  O   TYR    22      12.575  -5.860   8.293  1.00  0.00           O  
-ATOM    314  N   MET    23      13.767  -5.026  10.035  1.00  0.00           N  
-ATOM    315  H   MET    23      14.633  -4.571  10.287  1.00  0.00           H  
-ATOM    316  CA  MET    23      12.932  -5.582  11.112  1.00  0.00           C  
-ATOM    317  HA  MET    23      11.986  -5.924  10.693  1.00  0.00           H  
-ATOM    318  CB  MET    23      13.614  -6.759  11.801  1.00  0.00           C  
-ATOM    319  HB2 MET    23      13.788  -7.537  11.058  1.00  0.00           H  
-ATOM    320  HB3 MET    23      14.569  -6.417  12.199  1.00  0.00           H  
-ATOM    321  CG  MET    23      12.772  -7.314  12.922  1.00  0.00           C  
-ATOM    322  HG2 MET    23      12.821  -6.592  13.738  1.00  0.00           H  
-ATOM    323  HG3 MET    23      11.750  -7.370  12.548  1.00  0.00           H  
-ATOM    324  SD  MET    23      13.268  -8.934  13.534  1.00  0.00           S  
-ATOM    325  CE  MET    23      12.539 -10.006  12.291  1.00  0.00           C  
-ATOM    326  HE1 MET    23      12.955  -9.764  11.313  1.00  0.00           H  
-ATOM    327  HE2 MET    23      12.760 -11.046  12.532  1.00  0.00           H  
-ATOM    328  HE3 MET    23      11.459  -9.860  12.272  1.00  0.00           H  
-ATOM    329  C   MET    23      12.673  -4.470  12.115  1.00  0.00           C  
-ATOM    330  O   MET    23      13.608  -3.769  12.506  1.00  0.00           O  
-ATOM    331  N   HIE    24      11.424  -4.282  12.470  1.00  0.00           N  
-ATOM    332  H   HIE    24      10.711  -4.900  12.109  1.00  0.00           H  
-ATOM    333  CA  HIE    24      11.006  -3.160  13.332  1.00  0.00           C  
-ATOM    334  HA  HIE    24      11.549  -2.253  13.068  1.00  0.00           H  
-ATOM    335  CB  HIE    24       9.527  -2.912  13.136  1.00  0.00           C  
-ATOM    336  HB2 HIE    24       9.283  -2.694  12.096  1.00  0.00           H  
-ATOM    337  HB3 HIE    24       8.942  -3.767  13.474  1.00  0.00           H  
-ATOM    338  CG  HIE    24       9.073  -1.747  13.931  1.00  0.00           C  
-ATOM    339  ND1 HIE    24       9.741  -0.539  13.868  1.00  0.00           N  
-ATOM    340  CE1 HIE    24       9.158   0.301  14.701  1.00  0.00           C  
-ATOM    341  HE1 HIE    24       9.553   1.308  14.838  1.00  0.00           H  
-ATOM    342  NE2 HIE    24       8.110  -0.311  15.255  1.00  0.00           N  
-ATOM    343  HE2 HIE    24       7.457   0.099  15.907  1.00  0.00           H  
-ATOM    344  CD2 HIE    24       8.057  -1.593  14.798  1.00  0.00           C  
-ATOM    345  HD2 HIE    24       7.278  -2.267  15.154  1.00  0.00           H  
-ATOM    346  C   HIE    24      11.338  -3.467  14.788  1.00  0.00           C  
-ATOM    347  O   HIE    24      10.979  -4.563  15.266  1.00  0.00           O  
-ATOM    348  N   HIE    25      11.957  -2.518  15.481  1.00  0.00           N  
-ATOM    349  H   HIE    25      12.288  -1.680  15.024  1.00  0.00           H  
-ATOM    350  CA  HIE    25      12.256  -2.698  16.922  1.00  0.00           C  
-ATOM    351  HA  HIE    25      11.842  -3.651  17.250  1.00  0.00           H  
-ATOM    352  CB  HIE    25      13.754  -2.691  17.213  1.00  0.00           C  
-ATOM    353  HB2 HIE    25      14.244  -1.818  16.782  1.00  0.00           H  
-ATOM    354  HB3 HIE    25      13.892  -2.688  18.294  1.00  0.00           H  
-ATOM    355  CG  HIE    25      14.477  -3.885  16.695  1.00  0.00           C  
-ATOM    356  ND1 HIE    25      15.217  -4.720  17.513  1.00  0.00           N  
-ATOM    357  CE1 HIE    25      15.783  -5.652  16.765  1.00  0.00           C  
-ATOM    358  HE1 HIE    25      16.418  -6.411  17.221  1.00  0.00           H  
-ATOM    359  NE2 HIE    25      15.427  -5.453  15.484  1.00  0.00           N  
-ATOM    360  HE2 HIE    25      15.708  -6.003  14.685  1.00  0.00           H  
-ATOM    361  CD2 HIE    25      14.604  -4.361  15.435  1.00  0.00           C  
-ATOM    362  HD2 HIE    25      14.188  -4.034  14.482  1.00  0.00           H  
-ATOM    363  C   HIE    25      11.580  -1.664  17.807  1.00  0.00           C  
-ATOM    364  O   HIE    25      10.998  -2.074  18.806  1.00  0.00           O  
-ATOM    365  N   MET    26      11.814  -0.375  17.533  1.00  0.00           N  
-ATOM    366  H   MET    26      12.147  -0.139  16.609  1.00  0.00           H  
-ATOM    367  CA  MET    26      11.611   0.728  18.513  1.00  0.00           C  
-ATOM    368  HA  MET    26      11.105   0.339  19.397  1.00  0.00           H  
-ATOM    369  CB  MET    26      12.949   1.342  18.945  1.00  0.00           C  
-ATOM    370  HB2 MET    26      13.320   1.907  18.090  1.00  0.00           H  
-ATOM    371  HB3 MET    26      12.724   2.027  19.762  1.00  0.00           H  
-ATOM    372  CG  MET    26      14.017   0.341  19.397  1.00  0.00           C  
-ATOM    373  HG2 MET    26      14.153  -0.377  18.588  1.00  0.00           H  
-ATOM    374  HG3 MET    26      14.942   0.898  19.547  1.00  0.00           H  
-ATOM    375  SD  MET    26      13.605  -0.548  20.917  1.00  0.00           S  
-ATOM    376  CE  MET    26      13.640   0.795  22.102  1.00  0.00           C  
-ATOM    377  HE1 MET    26      12.903   1.548  21.821  1.00  0.00           H  
-ATOM    378  HE2 MET    26      13.405   0.411  23.095  1.00  0.00           H  
-ATOM    379  HE3 MET    26      14.633   1.245  22.113  1.00  0.00           H  
-ATOM    380  C   MET    26      10.756   1.853  17.918  1.00  0.00           C  
-ATOM    381  O   MET    26      10.811   2.091  16.700  1.00  0.00           O  
-ATOM    382  N   GLU    27      10.020   2.551  18.781  1.00  0.00           N  
-ATOM    383  H   GLU    27       9.839   2.152  19.691  1.00  0.00           H  
-ATOM    384  CA  GLU    27       9.409   3.868  18.454  1.00  0.00           C  
-ATOM    385  HA  GLU    27       9.556   4.071  17.393  1.00  0.00           H  
-ATOM    386  CB  GLU    27       7.907   3.904  18.756  1.00  0.00           C  
-ATOM    387  HB2 GLU    27       7.450   3.050  18.255  1.00  0.00           H  
-ATOM    388  HB3 GLU    27       7.785   3.800  19.834  1.00  0.00           H  
-ATOM    389  CG  GLU    27       7.228   5.193  18.288  1.00  0.00           C  
-ATOM    390  HG2 GLU    27       7.504   5.966  19.005  1.00  0.00           H  
-ATOM    391  HG3 GLU    27       7.664   5.426  17.317  1.00  0.00           H  
-ATOM    392  CD  GLU    27       5.711   5.136  18.163  1.00  0.00           C  
-ATOM    393  OE1 GLU    27       5.019   5.350  19.177  1.00  0.00           O  
-ATOM    394  OE2 GLU    27       5.218   4.884  17.052  1.00  0.00           O  
-ATOM    395  C   GLU    27      10.149   4.938  19.257  1.00  0.00           C  
-ATOM    396  O   GLU    27      10.241   4.785  20.484  1.00  0.00           O  
-ATOM    397  OXT GLU    27      10.655   5.904  18.691  1.00  0.00           O  
-TER     398      GLU    27 
-END   
diff --git a/example/covalent_docking/run.sh b/example/covalent_docking/run.sh
deleted file mode 100644
index 13089145..00000000
--- a/example/covalent_docking/run.sh
+++ /dev/null
@@ -1,7 +0,0 @@
-mk_prepare_ligand.py\
-    -i ligand_including_cys_sidechain.sdf\
-    --receptor protein.pdb\
-    --rec_residue ":CYS:6"\
-    --tether_smarts "NC(=O)C(O)(C)SCC"\
-    --tether_smarts_indices 9 8\
-    -o prepared.pdbqt
diff --git a/example/cyclodextrin_flexible/cyclodextrin-core.mol b/example/cyclodextrin_flexible/cyclodextrin-core.mol
deleted file mode 100644
index cfdb5ab8..00000000
--- a/example/cyclodextrin_flexible/cyclodextrin-core.mol
+++ /dev/null
@@ -1,306 +0,0 @@
-
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diff --git a/example/cyclodextrin_flexible/ligand.mol b/example/cyclodextrin_flexible/ligand.mol
deleted file mode 100644
index e2c76661..00000000
--- a/example/cyclodextrin_flexible/ligand.mol
+++ /dev/null
@@ -1,43 +0,0 @@
-
-     RDKit          3D
-
- 19 18  0  0  0  0  0  0  0  0999 V2000
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-   -1.6043    0.2526   -0.6737 C   0  0  0  0  0  0  0  0  0  0  0  0
-   -0.5257   -0.2684    0.2829 C   0  0  0  0  0  0  0  0  0  0  0  0
-    0.8560    0.2774   -0.0963 C   0  0  0  0  0  0  0  0  0  0  0  0
-    1.9337   -0.2430    0.8593 C   0  0  0  0  0  0  0  0  0  0  0  0
-    3.2755    0.3000    0.4815 C   0  0  0  0  0  0  0  0  0  0  0  0
-    4.0021   -0.3204   -0.3386 O   0  0  0  0  0  0  0  0  0  0  0  0
-    3.7035    1.5167    0.9973 O   0  0  0  0  0  1  0  0  0  0  0  0
-   -3.7402    0.1048   -1.0081 H   0  0  0  0  0  0  0  0  0  0  0  0
-   -2.9871   -1.3982   -0.3526 H   0  0  0  0  0  0  0  0  0  0  0  0
-   -3.2552    0.0313    0.7283 H   0  0  0  0  0  0  0  0  0  0  0  0
-   -1.6329    1.3635   -0.6375 H   0  0  0  0  0  0  0  0  0  0  0  0
-   -1.3659   -0.0599   -1.7139 H   0  0  0  0  0  0  0  0  0  0  0  0
-   -0.5055   -1.3801    0.2440 H   0  0  0  0  0  0  0  0  0  0  0  0
-   -0.7728    0.0448    1.3214 H   0  0  0  0  0  0  0  0  0  0  0  0
-    1.1032   -0.0359   -1.1350 H   0  0  0  0  0  0  0  0  0  0  0  0
-    0.8359    1.3893   -0.0575 H   0  0  0  0  0  0  0  0  0  0  0  0
-    1.9633   -1.3543    0.8277 H   0  0  0  0  0  0  0  0  0  0  0  0
-    1.6973    0.0684    1.8999 H   0  0  0  0  0  0  0  0  0  0  0  0
-  1  2  1  0
-  2  3  1  0
-  3  4  1  0
-  4  5  1  0
-  5  6  1  0
-  6  7  2  0
-  6  8  1  0
-  1  9  1  0
-  1 10  1  0
-  1 11  1  0
-  2 12  1  0
-  2 13  1  0
-  3 14  1  0
-  3 15  1  0
-  4 16  1  0
-  4 17  1  0
-  5 18  1  0
-  5 19  1  0
-M  CHG  1   8  -1
-M  END
diff --git a/example/cyclodextrin_flexible/run.py b/example/cyclodextrin_flexible/run.py
deleted file mode 100644
index 4a5969f3..00000000
--- a/example/cyclodextrin_flexible/run.py
+++ /dev/null
@@ -1,105 +0,0 @@
-#!/usr/bin/env python
-
-from os import linesep
-import sys
-
-from rdkit import Chem
-from rdkit.Chem import AllChem
-
-from meeko import MoleculePreparation
-from meeko import PDBQTWriterLegacy
-from meeko import PDBQTMolecule
-from meeko import RDKitMolCreate
-from vina import Vina
-
-# first anchor atom of flex will be superimposed to first anchor atom of cyclodextrin
-# same for second atom
-# indexing from 1 for easy visualization in molecular viewers
-anchor_atoms_flex = (9, 8)
-anchor_atoms_cd = (8, 10)
-first_flex_atom = 9 # first sidechain atom (from cyclodextrin side)
-
-# the following atoms will be excluded from the rigid receptor
-# because they are part of the sidechain
-cd_ignore = anchor_atoms_cd + (147, 11, 85, 86)
-
-cd_core = Chem.MolFromMolFile("cyclodextrin-core.mol", removeHs=False)
-flex = Chem.MolFromMolFile("sidechain.mol", removeHs=False)
-lig = Chem.MolFromMolFile("ligand.mol", removeHs=False)
-
-anchor_map = (
-    (anchor_atoms_flex[0] - 1, anchor_atoms_cd[0] - 1), # -1 to convert to 0-index
-    (anchor_atoms_flex[1] - 1, anchor_atoms_cd[1] - 1)
-)
-Chem.rdMolAlign.AlignMol(flex, cd_core, atomMap=anchor_map)
-
-mk_prep = MoleculePreparation()
-molsetup_list = mk_prep.prepare(
-    flex,
-    root_atom_index=first_flex_atom - 1,
-    not_terminal_atoms=(first_flex_atom - 1,) # to make the bond between anchor atoms rotatable
-)
-
-def check(ok, err):
-    if not ok:
-        print(err, file=sys.stderr)
-        sys.exit()
-
-# at the moment we only get more than one setup if mk_prep was configured with reactive_smarts
-molsetup = molsetup_list[0]
-flex_pdbqt_str, ok, err = PDBQTWriterLegacy.write_string(molsetup)
-check(ok, err)
-flex_pdbqt_str = PDBQTWriterLegacy.adapt_pdbqt_for_autodock4_flexres(flex_pdbqt_str, res="", chain="", num="")
-
-# make a PDBQT for the ligand
-molsetup_list = mk_prep.prepare(lig)
-molsetup = molsetup_list[0]
-lig_pdbqt_str, ok, err = PDBQTWriterLegacy.write_string(molsetup)
-check(ok, err)
-
-# make a pdbqt for the cyclodextrin
-mk_prep = MoleculePreparation(
-    rigidify_bonds_smarts=("[*][*]",), # no rotatable bonds
-    rigidify_bonds_indices=((0, 1),),
-)
-molsetup_list = mk_prep.prepare(cd_core)
-molsetup = molsetup_list[0]
-
-# since we are removing atoms charges are not guaranteed to add up to an integer
-# vina scoring function does not use charges, so that's OK
-for i in cd_ignore:
-    molsetup.atom_ignore[i - 1] = True # this atom won't be written to PDBQT
-
-rec_pdbqt, ok, err = PDBQTWriterLegacy.write_string(molsetup)
-check(ok, err)
-
-# ROOT, ENDROOT, and TORSDOF should not be in the receptor
-clean_rec_pdbqt = ""
-for line in rec_pdbqt.split(linesep)[:-1]:
-    if line.startswith("ROOT") or line.startswith("ENDROOT") or line.startswith("TORSDOF"):
-        continue
-    clean_rec_pdbqt += line + linesep
-
-with open("receptor_rigid.pdbqt", "w") as f:
-    f.write(clean_rec_pdbqt)
-
-# flexible sidechain clashing with the cyclodextrin is OK, docking will resolve
-with open("receptor_flex.pdbqt", "w") as f:
-    f.write(flex_pdbqt_str)
-
-v = Vina()
-v.set_receptor(rigid_pdbqt_filename="receptor_rigid.pdbqt",
-               flex_pdbqt_filename="receptor_flex.pdbqt")
-v.compute_vina_maps(center=(20, 20, 35), box_size=(30, 30, 30))
-v.set_ligand_from_string(lig_pdbqt_str)
-v.dock()
-results_pdbqt = v.poses()
-pdbqt_mol = PDBQTMolecule(results_pdbqt)
-docked_mols = RDKitMolCreate.from_pdbqt_mol(pdbqt_mol)
-with Chem.SDWriter("docked_ligand.sdf") as f:
-    for i in range(docked_mols[0].GetNumConformers()):
-        f.write(docked_mols[0], confId=i)
-
-with Chem.SDWriter("docked_flex.sdf") as f:
-    for i in range(docked_mols[1].GetNumConformers()):
-        f.write(docked_mols[1], confId=i)
diff --git a/example/cyclodextrin_flexible/sidechain.mol b/example/cyclodextrin_flexible/sidechain.mol
deleted file mode 100644
index 97133251..00000000
--- a/example/cyclodextrin_flexible/sidechain.mol
+++ /dev/null
@@ -1,43 +0,0 @@
-
-     RDKit          3D
-
- 19 19  0  0  0  0  0  0  0  0999 V2000
-   -0.9121   -1.6911   -0.1465 C   0  0  0  0  0  0  0  0  0  0  0  0
-   -2.2053   -1.6432    0.3830 C   0  0  0  0  0  0  0  0  0  0  0  0
-   -2.7780   -0.4147    0.7201 C   0  0  0  0  0  0  0  0  0  0  0  0
-   -2.0587    0.7670    0.5266 C   0  0  0  0  0  0  0  0  0  0  0  0
-   -0.7648    0.7235   -0.0030 C   0  0  0  0  0  0  0  0  0  0  0  0
-   -0.1783   -0.5133   -0.3418 C   0  0  0  0  0  0  0  0  0  0  0  0
-    1.1154   -0.6213   -0.8785 O   0  0  0  0  0  0  0  0  0  0  0  0
-    2.0374    0.4558   -1.0477 C   0  0  0  0  0  0  0  0  0  0  0  0
-    2.6569    0.8523    0.2881 C   0  0  0  0  0  0  0  0  0  0  0  0
-   -0.4763   -2.6479   -0.4049 H   0  0  0  0  0  0  0  0  0  0  0  0
-   -2.7631   -2.5588    0.5316 H   0  0  0  0  0  0  0  0  0  0  0  0
-   -3.7792   -0.3783    1.1297 H   0  0  0  0  0  0  0  0  0  0  0  0
-   -2.5046    1.7186    0.7859 H   0  0  0  0  0  0  0  0  0  0  0  0
-   -0.2368    1.6552   -0.1454 H   0  0  0  0  0  0  0  0  0  0  0  0
-    2.8508    0.1147   -1.7220 H   0  0  0  0  0  0  0  0  0  0  0  0
-    1.5473    1.3254   -1.5342 H   0  0  0  0  0  0  0  0  0  0  0  0
-    3.1683   -0.0230    0.7415 H   0  0  0  0  0  0  0  0  0  0  0  0
-    1.8795    1.2187    0.9893 H   0  0  0  0  0  0  0  0  0  0  0  0
-    3.4015    1.6603    0.1283 H   0  0  0  0  0  0  0  0  0  0  0  0
-  1  2  2  0
-  2  3  1  0
-  3  4  2  0
-  4  5  1  0
-  5  6  2  0
-  6  7  1  0
-  7  8  1  0
-  8  9  1  0
-  6  1  1  0
-  1 10  1  0
-  2 11  1  0
-  3 12  1  0
-  4 13  1  0
-  5 14  1  0
-  8 15  1  0
-  8 16  1  0
-  9 17  1  0
-  9 18  1  0
-  9 19  1  0
-M  END
diff --git a/example/dihedrals-from-openff/dihedrals-from-openff.py b/example/dihedrals-from-openff/dihedrals-from-openff.py
deleted file mode 100644
index b1d872fa..00000000
--- a/example/dihedrals-from-openff/dihedrals-from-openff.py
+++ /dev/null
@@ -1,50 +0,0 @@
-#!/usr/bin/env python
-
-import json
-from rdkit import Chem
-from rdkit.Chem import rdDistGeom
-
-from meeko import load_openff
-from meeko import AtomTyper
-from meeko import MoleculePreparation
-
-vdw_list, dihedral_list, vdw_by_atype = load_openff()
-
-meeko_config = {
-    "merge_these_atom_types": (),
-    "flexible_amides": True,
-    "atom_params": {
-        "vdw": vdw_list
-     },
-    "charge_model": "espaloma",
-    "dihedral_params": dihedral_list,
-}
-
-meeko_prep = MoleculePreparation.from_config(meeko_config)
-
-#mol = Chem.MolFromMolFile("baloxa-core-noether-noOH-okchiral-noMethyl.sdf", removeHs=False)
-
-mol = Chem.MolFromSmiles("CN1CN(C)n2ccc(=O)cc2C1=O")
-mol = Chem.AddHs(mol)
-rdDistGeom.EmbedMolecule(mol)
-
-meeko_prep.prepare(mol)
-molsetup = meeko_prep.setup
-
-print("Unique dihedral potentials in this molecule:")
-for i, term in enumerate(molsetup.dihedral_interactions):
-    print(i, term)
-
-print()
-print("List of contributions:")
-for atom_idxs in molsetup.dihedral_partaking_atoms:
-    term_id = molsetup.dihedral_partaking_atoms[atom_idxs]
-    openff_label = molsetup.dihedral_labels[atom_idxs]
-    print("atoms involved: %12s, openff_label: %s, term_id: %d" % (" ".join(["%2d" % i for i in atom_idxs]), openff_label, term_id))
-
-
-
-
-
-
-
diff --git a/example/hydrated_docking/1uw6.pdb b/example/hydrated_docking/1uw6.pdb
deleted file mode 100644
index db8f346b..00000000
--- a/example/hydrated_docking/1uw6.pdb
+++ /dev/null
@@ -1,36745 +0,0 @@
-HEADER    GLYCOPROTEIN                            30-JAN-04   1UW6              
-TITLE     X-RAY STRUCTURE OF ACETYLCHOLINE BINDING PROTEIN (ACHBP) IN           
-TITLE    2 COMPLEX WITH NICOTINE                                                
-COMPND    MOL_ID: 1;                                                            
-COMPND   2 MOLECULE: ACETYLCHOLINE-BINDING PROTEIN;                             
-COMPND   3 CHAIN: A, B, C, D, E, F, G, H, I, J, K, L, M, N, O, P, Q,            
-COMPND   4  R, S, T;                                                            
-COMPND   5 SYNONYM: ACH-BINDING PROTEIN, ACHBP;                                 
-COMPND   6 ENGINEERED: YES                                                      
-SOURCE    MOL_ID: 1;                                                            
-SOURCE   2 ORGANISM_SCIENTIFIC: LYMNAEA STAGNALIS;                              
-SOURCE   3 ORGANISM_COMMON: GREAT POND SNAIL;                                   
-SOURCE   4 ORGANISM_TAXID: 6523;                                                
-SOURCE   5 EXPRESSION_SYSTEM: PICPA E 4922;                                     
-SOURCE   6 EXPRESSION_SYSTEM_STRAIN: GS 115;                                    
-SOURCE   7 EXPRESSION_SYSTEM_PLASMID: PPIC9                                     
-KEYWDS    PENTAMER, IGG FOLD, ACETYLCHOLINE, NICOTINE, GLYCOPROTEIN             
-EXPDTA    X-RAY DIFFRACTION                                                     
-AUTHOR    P.H.N.CELIE,S.E.VAN ROSSUM-FIKKERT,W.J.VAN DIJK,K.BREJC,              
-AUTHOR   2 A.B.SMIT,T.K.SIXMA                                                   
-REVDAT   2   24-FEB-09 1UW6    1       VERSN                                    
-REVDAT   1   25-MAR-04 1UW6    0                                                
-JRNL        AUTH   P.H.N.CELIE,S.E.VAN ROSSUM-FIKKERT,W.J.VAN DIJK,             
-JRNL        AUTH 2 K.BREJC,A.B.SMIT,T.K.SIXMA                                   
-JRNL        TITL   NICOTINE AND CARBAMYLCHOLINE BINDING TO NICOTINIC            
-JRNL        TITL 2 ACETYLCHOLINE RECEPTORS AS STUDIED IN ACHBP                  
-JRNL        TITL 3 CRYSTAL STRUCTURES                                           
-JRNL        REF    NEURON                        V.  41   907 2004              
-JRNL        REFN                   ISSN 0896-6273                               
-JRNL        PMID   15046723                                                     
-JRNL        DOI    10.1016/S0896-6273(04)00115-1                                
-REMARK   1                                                                      
-REMARK   1 REFERENCE 1                                                          
-REMARK   1  AUTH   K.BREJC,W.J.VAN DIJK,R.KLAASSEN,M.SCHUURMANS,                
-REMARK   1  AUTH 2 J.VAN DER OOST,A.B.SMIT,T.K.SIXMA                            
-REMARK   1  TITL   CRYSTAL STRUCTURE OF AN ACH-BINDING PROTEIN                  
-REMARK   1  TITL 2 REVEALS THE LIGAND-BINDING DOMAIN OF NICOTINIC               
-REMARK   1  TITL 3 RECEPTORS                                                    
-REMARK   1  REF    NATURE                        V. 411   269 2001              
-REMARK   1  REFN                   ISSN 0028-0836                               
-REMARK   1  PMID   11357122                                                     
-REMARK   1  DOI    10.1038/35077011                                             
-REMARK   1 REFERENCE 2                                                          
-REMARK   1  AUTH   A.B.SMIT,N.I.SYED,D.SCHAAP,J.VAN MINNEN,                     
-REMARK   1  AUTH 2 J.KLUMPERMAN,K.S.KITS,H.LODDER,R.C.VAN DER SCHORS,           
-REMARK   1  AUTH 3 R.VAN ELK,B.SORGEDRAGER,K.BREJC,T.K.SIXMA,                   
-REMARK   1  AUTH 4 W.P.M.GERAERTS                                               
-REMARK   1  TITL   A GLIA-DERIVED ACETYLCHOLINE-BINDING PROTEIN THAT            
-REMARK   1  TITL 2 MODULATES SYNAPTIC TRANSMISSION                              
-REMARK   1  REF    NATURE                        V. 411   261 2001              
-REMARK   1  REFN                   ISSN 0028-0836                               
-REMARK   1  PMID   11357121                                                     
-REMARK   1  DOI    10.1038/35077000                                             
-REMARK   2                                                                      
-REMARK   2 RESOLUTION.    2.2  ANGSTROMS.                                       
-REMARK   3                                                                      
-REMARK   3 REFINEMENT.                                                          
-REMARK   3   PROGRAM     : REFMAC                                               
-REMARK   3   AUTHORS     : MURSHUDOV,VAGIN,DODSON                               
-REMARK   3                                                                      
-REMARK   3  DATA USED IN REFINEMENT.                                            
-REMARK   3   RESOLUTION RANGE HIGH (ANGSTROMS) : 2.2                            
-REMARK   3   RESOLUTION RANGE LOW  (ANGSTROMS) : 12.000                         
-REMARK   3   DATA CUTOFF            (SIGMA(F)) : NULL                           
-REMARK   3   COMPLETENESS FOR RANGE        (%) : 84.15                          
-REMARK   3   NUMBER OF REFLECTIONS             : 184182                         
-REMARK   3                                                                      
-REMARK   3  FIT TO DATA USED IN REFINEMENT.                                     
-REMARK   3   CROSS-VALIDATION METHOD          : THROUGHOUT                      
-REMARK   3   FREE R VALUE TEST SET SELECTION  : RANDOM                          
-REMARK   3   R VALUE     (WORKING + TEST SET) : 0.22386                         
-REMARK   3   R VALUE            (WORKING SET) : 0.22164                         
-REMARK   3   FREE R VALUE                     : 0.26533                         
-REMARK   3   FREE R VALUE TEST SET SIZE   (%) : 5.0                             
-REMARK   3   FREE R VALUE TEST SET COUNT      : 9739                            
-REMARK   3                                                                      
-REMARK   3  NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT.                    
-REMARK   3   PROTEIN ATOMS            : 33079                                   
-REMARK   3   NUCLEIC ACID ATOMS       : 0                                       
-REMARK   3   HETEROGEN ATOMS          : 240                                     
-REMARK   3   SOLVENT ATOMS            : 1469                                    
-REMARK   3                                                                      
-REMARK   3  B VALUES.                                                           
-REMARK   3   FROM WILSON PLOT           (A**2) : NULL                           
-REMARK   3   MEAN B VALUE      (OVERALL, A**2) : 21.888                         
-REMARK   3   OVERALL ANISOTROPIC B VALUE.                                       
-REMARK   3    B11 (A**2) : 0.46                                                 
-REMARK   3    B22 (A**2) : 0.46                                                 
-REMARK   3    B33 (A**2) : -0.92                                                
-REMARK   3    B12 (A**2) : 0.00                                                 
-REMARK   3    B13 (A**2) : 0.00                                                 
-REMARK   3    B23 (A**2) : 0.00                                                 
-REMARK   3                                                                      
-REMARK   3  ESTIMATED OVERALL COORDINATE ERROR.                                 
-REMARK   3   ESU BASED ON R VALUE                            (A): 0.462         
-REMARK   3   ESU BASED ON FREE R VALUE                       (A): 0.273         
-REMARK   3   ESU BASED ON MAXIMUM LIKELIHOOD                 (A): 0.196         
-REMARK   3   ESU FOR B VALUES BASED ON MAXIMUM LIKELIHOOD (A**2): 8.062         
-REMARK   3                                                                      
-REMARK   3  RMS DEVIATIONS FROM IDEAL VALUES.                                   
-REMARK   3   DISTANCE RESTRAINTS.                    RMS    SIGMA               
-REMARK   3    BOND LENGTH                     (A) : NULL  ; NULL                
-REMARK   3    ANGLE DISTANCE                  (A) : NULL  ; NULL                
-REMARK   3    INTRAPLANAR 1-4 DISTANCE        (A) : NULL  ; NULL                
-REMARK   3    H-BOND OR METAL COORDINATION    (A) : NULL  ; NULL                
-REMARK   3                                                                      
-REMARK   3   PLANE RESTRAINT                  (A) : NULL  ; NULL                
-REMARK   3   CHIRAL-CENTER RESTRAINT       (A**3) : NULL  ; NULL                
-REMARK   3                                                                      
-REMARK   3   NON-BONDED CONTACT RESTRAINTS.                                     
-REMARK   3    SINGLE TORSION                  (A) : NULL  ; NULL                
-REMARK   3    MULTIPLE TORSION                (A) : NULL  ; NULL                
-REMARK   3    H-BOND (X...Y)                  (A) : NULL  ; NULL                
-REMARK   3    H-BOND (X-H...Y)                (A) : NULL  ; NULL                
-REMARK   3                                                                      
-REMARK   3   CONFORMATIONAL TORSION ANGLE RESTRAINTS.                           
-REMARK   3    SPECIFIED                 (DEGREES) : NULL  ; NULL                
-REMARK   3    PLANAR                    (DEGREES) : NULL  ; NULL                
-REMARK   3    STAGGERED                 (DEGREES) : NULL  ; NULL                
-REMARK   3    TRANSVERSE                (DEGREES) : NULL  ; NULL                
-REMARK   3                                                                      
-REMARK   3  ISOTROPIC THERMAL FACTOR RESTRAINTS.    RMS    SIGMA                
-REMARK   3   MAIN-CHAIN BOND              (A**2) : NULL  ; NULL                 
-REMARK   3   MAIN-CHAIN ANGLE             (A**2) : NULL  ; NULL                 
-REMARK   3   SIDE-CHAIN BOND              (A**2) : NULL  ; NULL                 
-REMARK   3   SIDE-CHAIN ANGLE             (A**2) : NULL  ; NULL                 
-REMARK   3                                                                      
-REMARK   3  OTHER REFINEMENT REMARKS: NULL                                      
-REMARK   4                                                                      
-REMARK   4 1UW6 COMPLIES WITH FORMAT V. 3.15, 01-DEC-08                         
-REMARK 100                                                                      
-REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY PDBE ON 30-JAN-04.                  
-REMARK 100 THE PDBE ID CODE IS EBI-14411.                                       
-REMARK 200                                                                      
-REMARK 200 EXPERIMENTAL DETAILS                                                 
-REMARK 200  EXPERIMENT TYPE                : X-RAY DIFFRACTION                  
-REMARK 200  DATE OF DATA COLLECTION        : 15-JUN-02                          
-REMARK 200  TEMPERATURE           (KELVIN) : 100.0                              
-REMARK 200  PH                             : 8.00                               
-REMARK 200  NUMBER OF CRYSTALS USED        : 1                                  
-REMARK 200                                                                      
-REMARK 200  SYNCHROTRON              (Y/N) : Y                                  
-REMARK 200  RADIATION SOURCE               : ESRF                               
-REMARK 200  BEAMLINE                       : ID14-4                             
-REMARK 200  X-RAY GENERATOR MODEL          : NULL                               
-REMARK 200  MONOCHROMATIC OR LAUE    (M/L) : M                                  
-REMARK 200  WAVELENGTH OR RANGE        (A) : 0.9393                             
-REMARK 200  MONOCHROMATOR                  : NULL                               
-REMARK 200  OPTICS                         : NULL                               
-REMARK 200                                                                      
-REMARK 200  DETECTOR TYPE                  : CCD                                
-REMARK 200  DETECTOR MANUFACTURER          : ADSC                               
-REMARK 200  INTENSITY-INTEGRATION SOFTWARE : MOSFLM                             
-REMARK 200  DATA SCALING SOFTWARE          : SCALEPACK                          
-REMARK 200                                                                      
-REMARK 200  NUMBER OF UNIQUE REFLECTIONS   : 236373                             
-REMARK 200  RESOLUTION RANGE HIGH      (A) : 2.200                              
-REMARK 200  RESOLUTION RANGE LOW       (A) : 50.000                             
-REMARK 200  REJECTION CRITERIA  (SIGMA(I)) : 1.700                              
-REMARK 200                                                                      
-REMARK 200 OVERALL.                                                             
-REMARK 200  COMPLETENESS FOR RANGE     (%) : 86.0                               
-REMARK 200  DATA REDUNDANCY                : 2.900                              
-REMARK 200  R MERGE                    (I) : 0.09400                            
-REMARK 200  R SYM                      (I) : NULL                               
-REMARK 200  <I/SIGMA(I)> FOR THE DATA SET  : 9.0000                             
-REMARK 200                                                                      
-REMARK 200 IN THE HIGHEST RESOLUTION SHELL.                                     
-REMARK 200  HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 2.20                     
-REMARK 200  HIGHEST RESOLUTION SHELL, RANGE LOW  (A) : 2.28                     
-REMARK 200  COMPLETENESS FOR SHELL     (%) : 38.0                               
-REMARK 200  DATA REDUNDANCY IN SHELL       : 1.89                               
-REMARK 200  R MERGE FOR SHELL          (I) : 0.58900                            
-REMARK 200  R SYM FOR SHELL            (I) : NULL                               
-REMARK 200  <I/SIGMA(I)> FOR SHELL         : 1.700                              
-REMARK 200                                                                      
-REMARK 200 DIFFRACTION PROTOCOL: SINGLE WAVELENGTH                              
-REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: MOLECULAR REPLACEMENT        
-REMARK 200 SOFTWARE USED: AMORE                                                 
-REMARK 200 STARTING MODEL: PDB ENTRY 1I9B                                       
-REMARK 200                                                                      
-REMARK 200 REMARK: NULL                                                         
-REMARK 280                                                                      
-REMARK 280 CRYSTAL                                                              
-REMARK 280 SOLVENT CONTENT, VS  (%): 50                                         
-REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.5                      
-REMARK 280                                                                      
-REMARK 280 CRYSTALLIZATION CONDITIONS: TRIS PH 8.0, AMMONIUM SULFATE            
-REMARK 290                                                                      
-REMARK 290 CRYSTALLOGRAPHIC SYMMETRY                                            
-REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 21 21 2                        
-REMARK 290                                                                      
-REMARK 290      SYMOP   SYMMETRY                                                
-REMARK 290     NNNMMM   OPERATOR                                                
-REMARK 290       1555   X,Y,Z                                                   
-REMARK 290       2555   -X,-Y,Z                                                 
-REMARK 290       3555   -X+1/2,Y+1/2,-Z                                         
-REMARK 290       4555   X+1/2,-Y+1/2,-Z                                         
-REMARK 290                                                                      
-REMARK 290     WHERE NNN -> OPERATOR NUMBER                                     
-REMARK 290           MMM -> TRANSLATION VECTOR                                  
-REMARK 290                                                                      
-REMARK 290 CRYSTALLOGRAPHIC SYMMETRY TRANSFORMATIONS                            
-REMARK 290 THE FOLLOWING TRANSFORMATIONS OPERATE ON THE ATOM/HETATM             
-REMARK 290 RECORDS IN THIS ENTRY TO PRODUCE CRYSTALLOGRAPHICALLY                
-REMARK 290 RELATED MOLECULES.                                                   
-REMARK 290   SMTRY1   1  1.000000  0.000000  0.000000        0.00000            
-REMARK 290   SMTRY2   1  0.000000  1.000000  0.000000        0.00000            
-REMARK 290   SMTRY3   1  0.000000  0.000000  1.000000        0.00000            
-REMARK 290   SMTRY1   2 -1.000000  0.000000  0.000000        0.00000            
-REMARK 290   SMTRY2   2  0.000000 -1.000000  0.000000        0.00000            
-REMARK 290   SMTRY3   2  0.000000  0.000000  1.000000        0.00000            
-REMARK 290   SMTRY1   3 -1.000000  0.000000  0.000000      116.50000            
-REMARK 290   SMTRY2   3  0.000000  1.000000  0.000000      133.71100            
-REMARK 290   SMTRY3   3  0.000000  0.000000 -1.000000        0.00000            
-REMARK 290   SMTRY1   4  1.000000  0.000000  0.000000      116.50000            
-REMARK 290   SMTRY2   4  0.000000 -1.000000  0.000000      133.71100            
-REMARK 290   SMTRY3   4  0.000000  0.000000 -1.000000        0.00000            
-REMARK 290                                                                      
-REMARK 290 REMARK: NULL                                                         
-REMARK 300                                                                      
-REMARK 300 BIOMOLECULE: 1, 2, 3, 4                                              
-REMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM                
-REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN                  
-REMARK 300 THIS ENTRY.  THE REMARK MAY ALSO PROVIDE INFORMATION ON              
-REMARK 300 BURIED SURFACE AREA.                                                 
-REMARK 350                                                                      
-REMARK 350 GENERATING THE BIOMOLECULE                                           
-REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN           
-REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE                
-REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS          
-REMARK 350 GIVEN BELOW.  BOTH NON-CRYSTALLOGRAPHIC AND                          
-REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN.                               
-REMARK 350                                                                      
-REMARK 350 BIOMOLECULE:  1                                                      
-REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: PENTAMERIC                        
-REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: PENTAMERIC                 
-REMARK 350 SOFTWARE USED: PQS                                                   
-REMARK 350 APPLY THE FOLLOWING TO CHAINS: A, B, C, D, E                         
-REMARK 350   BIOMT1   1  1.000000  0.000000  0.000000        0.00000            
-REMARK 350   BIOMT2   1  0.000000  1.000000  0.000000        0.00000            
-REMARK 350   BIOMT3   1  0.000000  0.000000  1.000000        0.00000            
-REMARK 350 BIOMOLECULE:  2                                                      
-REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: PENTAMERIC                        
-REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: PENTAMERIC                 
-REMARK 350 SOFTWARE USED: PQS                                                   
-REMARK 350 APPLY THE FOLLOWING TO CHAINS: F, G, H, I, J                         
-REMARK 350   BIOMT1   1  1.000000  0.000000  0.000000        0.00000            
-REMARK 350   BIOMT2   1  0.000000  1.000000  0.000000        0.00000            
-REMARK 350   BIOMT3   1  0.000000  0.000000  1.000000        0.00000            
-REMARK 350 BIOMOLECULE:  3                                                      
-REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: PENTAMERIC                        
-REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: PENTAMERIC                 
-REMARK 350 SOFTWARE USED: PQS                                                   
-REMARK 350 APPLY THE FOLLOWING TO CHAINS: K, L, M, N, O                         
-REMARK 350   BIOMT1   1  1.000000  0.000000  0.000000        0.00000            
-REMARK 350   BIOMT2   1  0.000000  1.000000  0.000000        0.00000            
-REMARK 350   BIOMT3   1  0.000000  0.000000  1.000000        0.00000            
-REMARK 350 BIOMOLECULE:  4                                                      
-REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: PENTAMERIC                        
-REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: PENTAMERIC                 
-REMARK 350 SOFTWARE USED: PQS                                                   
-REMARK 350 APPLY THE FOLLOWING TO CHAINS: P, Q, R, S, T                         
-REMARK 350   BIOMT1   1  1.000000  0.000000  0.000000        0.00000            
-REMARK 350   BIOMT2   1  0.000000  1.000000  0.000000        0.00000            
-REMARK 350   BIOMT3   1  0.000000  0.000000  1.000000        0.00000            
-REMARK 375                                                                      
-REMARK 375 SPECIAL POSITION                                                     
-REMARK 375      HOH O2043  LIES ON A SPECIAL POSITION.                          
-REMARK 465                                                                      
-REMARK 465 MISSING RESIDUES                                                     
-REMARK 465 THE FOLLOWING RESIDUES WERE NOT LOCATED IN THE                       
-REMARK 465 EXPERIMENT. (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN               
-REMARK 465 IDENTIFIER; SSSEQ=SEQUENCE NUMBER; I=INSERTION CODE.)                
-REMARK 465                                                                      
-REMARK 465   M RES C SSSEQI                                                     
-REMARK 465     GLU A   208                                                      
-REMARK 465     ILE A   209                                                      
-REMARK 465     LEU A   210                                                      
-REMARK 465     ARG B   206                                                      
-REMARK 465     SER B   207                                                      
-REMARK 465     GLU B   208                                                      
-REMARK 465     ILE B   209                                                      
-REMARK 465     LEU B   210                                                      
-REMARK 465     ARG C   206                                                      
-REMARK 465     SER C   207                                                      
-REMARK 465     GLU C   208                                                      
-REMARK 465     ILE C   209                                                      
-REMARK 465     LEU C   210                                                      
-REMARK 465     GLU D   208                                                      
-REMARK 465     ILE D   209                                                      
-REMARK 465     LEU D   210                                                      
-REMARK 465     ARG E   206                                                      
-REMARK 465     SER E   207                                                      
-REMARK 465     GLU E   208                                                      
-REMARK 465     ILE E   209                                                      
-REMARK 465     LEU E   210                                                      
-REMARK 465     GLU F   208                                                      
-REMARK 465     ILE F   209                                                      
-REMARK 465     LEU F   210                                                      
-REMARK 465     ARG G   206                                                      
-REMARK 465     SER G   207                                                      
-REMARK 465     GLU G   208                                                      
-REMARK 465     ILE G   209                                                      
-REMARK 465     LEU G   210                                                      
-REMARK 465     ARG H   206                                                      
-REMARK 465     SER H   207                                                      
-REMARK 465     GLU H   208                                                      
-REMARK 465     ILE H   209                                                      
-REMARK 465     LEU H   210                                                      
-REMARK 465     ARG I   206                                                      
-REMARK 465     SER I   207                                                      
-REMARK 465     GLU I   208                                                      
-REMARK 465     ILE I   209                                                      
-REMARK 465     LEU I   210                                                      
-REMARK 465     ARG J   206                                                      
-REMARK 465     SER J   207                                                      
-REMARK 465     GLU J   208                                                      
-REMARK 465     ILE J   209                                                      
-REMARK 465     LEU J   210                                                      
-REMARK 465     ARG K   206                                                      
-REMARK 465     SER K   207                                                      
-REMARK 465     GLU K   208                                                      
-REMARK 465     ILE K   209                                                      
-REMARK 465     LEU K   210                                                      
-REMARK 465     ARG L   206                                                      
-REMARK 465     SER L   207                                                      
-REMARK 465     GLU L   208                                                      
-REMARK 465     ILE L   209                                                      
-REMARK 465     LEU L   210                                                      
-REMARK 465     GLU M   208                                                      
-REMARK 465     ILE M   209                                                      
-REMARK 465     LEU M   210                                                      
-REMARK 465     GLU N   208                                                      
-REMARK 465     ILE N   209                                                      
-REMARK 465     LEU N   210                                                      
-REMARK 465     ARG O   206                                                      
-REMARK 465     SER O   207                                                      
-REMARK 465     GLU O   208                                                      
-REMARK 465     ILE O   209                                                      
-REMARK 465     LEU O   210                                                      
-REMARK 465     ARG P   206                                                      
-REMARK 465     SER P   207                                                      
-REMARK 465     GLU P   208                                                      
-REMARK 465     ILE P   209                                                      
-REMARK 465     LEU P   210                                                      
-REMARK 465     ARG Q   206                                                      
-REMARK 465     SER Q   207                                                      
-REMARK 465     GLU Q   208                                                      
-REMARK 465     ILE Q   209                                                      
-REMARK 465     LEU Q   210                                                      
-REMARK 465     GLU R   208                                                      
-REMARK 465     ILE R   209                                                      
-REMARK 465     LEU R   210                                                      
-REMARK 465     ARG S   206                                                      
-REMARK 465     SER S   207                                                      
-REMARK 465     GLU S   208                                                      
-REMARK 465     ILE S   209                                                      
-REMARK 465     LEU S   210                                                      
-REMARK 465     GLU T   208                                                      
-REMARK 465     ILE T   209                                                      
-REMARK 465     LEU T   210                                                      
-REMARK 500                                                                      
-REMARK 500 GEOMETRY AND STEREOCHEMISTRY                                         
-REMARK 500 SUBTOPIC: CLOSE CONTACTS IN SAME ASYMMETRIC UNIT                     
-REMARK 500                                                                      
-REMARK 500 THE FOLLOWING ATOMS ARE IN CLOSE CONTACT.                            
-REMARK 500                                                                      
-REMARK 500  ATM1  RES C  SSEQI   ATM2  RES C  SSEQI           DISTANCE          
-REMARK 500   OE2  GLU E    47  -  O    HOH E  2015              2.16            
-REMARK 500   NE   ARG I   137  -  O    HOH I  2047              2.19            
-REMARK 500   O    ASP O   161  -  O    HOH O  2053              2.09            
-REMARK 500   NH1  ARG P     3  -  O    HOH P  2002              2.01            
-REMARK 500   OE1  GLU T    47  -  NH2  ARG T   120              2.16            
-REMARK 500                                                                      
-REMARK 500 REMARK: NULL                                                         
-REMARK 500                                                                      
-REMARK 500 GEOMETRY AND STEREOCHEMISTRY                                         
-REMARK 500 SUBTOPIC: CLOSE CONTACTS                                             
-REMARK 500                                                                      
-REMARK 500 THE FOLLOWING ATOMS THAT ARE RELATED BY CRYSTALLOGRAPHIC             
-REMARK 500 SYMMETRY ARE IN CLOSE CONTACT.  AN ATOM LOCATED WITHIN 0.15          
-REMARK 500 ANGSTROMS OF A SYMMETRY RELATED ATOM IS ASSUMED TO BE ON A           
-REMARK 500 SPECIAL POSITION AND IS, THEREFORE, LISTED IN REMARK 375             
-REMARK 500 INSTEAD OF REMARK 500.  ATOMS WITH NON-BLANK ALTERNATE               
-REMARK 500 LOCATION INDICATORS ARE NOT INCLUDED IN THE CALCULATIONS.            
-REMARK 500                                                                      
-REMARK 500 DISTANCE CUTOFF:                                                     
-REMARK 500 2.2 ANGSTROMS FOR CONTACTS NOT INVOLVING HYDROGEN ATOMS              
-REMARK 500 1.6 ANGSTROMS FOR CONTACTS INVOLVING HYDROGEN ATOMS                  
-REMARK 500                                                                      
-REMARK 500  ATM1  RES C  SSEQI   ATM2  RES C  SSEQI  SSYMOP   DISTANCE          
-REMARK 500                                                                      
-REMARK 500   O    HOH H  2018     O    HOH R  2023     3546      2.10           
-REMARK 500   O    HOH H  2036     O    HOH H  2036     2665      1.76           
-REMARK 500   O    HOH H  2060     O    HOH H  2060     2665      1.45           
-REMARK 500                                                                      
-REMARK 500 REMARK: NULL                                                         
-REMARK 500                                                                      
-REMARK 500 GEOMETRY AND STEREOCHEMISTRY                                         
-REMARK 500 SUBTOPIC: COVALENT BOND LENGTHS                                      
-REMARK 500                                                                      
-REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES              
-REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE               
-REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN               
-REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE).                 
-REMARK 500                                                                      
-REMARK 500 STANDARD TABLE:                                                      
-REMARK 500 FORMAT: (10X,I3,1X,2(A3,1X,A1,I4,A1,1X,A4,3X),1X,F6.3)               
-REMARK 500                                                                      
-REMARK 500 EXPECTED VALUES PROTEIN: ENGH AND HUBER, 1999                        
-REMARK 500 EXPECTED VALUES NUCLEIC ACID: CLOWNEY ET AL 1996                     
-REMARK 500                                                                      
-REMARK 500  M RES CSSEQI ATM1   RES CSSEQI ATM2   DEVIATION                     
-REMARK 500    SER D 207   C     SER D 207   O      -0.297                       
-REMARK 500    GLY H 205   C     GLY H 205   O       1.069                       
-REMARK 500    GLY O 205   C     GLY O 205   O       0.405                       
-REMARK 500                                                                      
-REMARK 500 REMARK: NULL                                                         
-REMARK 500                                                                      
-REMARK 500 GEOMETRY AND STEREOCHEMISTRY                                         
-REMARK 500 SUBTOPIC: COVALENT BOND ANGLES                                       
-REMARK 500                                                                      
-REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES              
-REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE               
-REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN               
-REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE).                 
-REMARK 500                                                                      
-REMARK 500 STANDARD TABLE:                                                      
-REMARK 500 FORMAT: (10X,I3,1X,A3,1X,A1,I4,A1,3(1X,A4,2X),12X,F5.1)              
-REMARK 500                                                                      
-REMARK 500 EXPECTED VALUES PROTEIN: ENGH AND HUBER, 1999                        
-REMARK 500 EXPECTED VALUES NUCLEIC ACID: CLOWNEY ET AL 1996                     
-REMARK 500                                                                      
-REMARK 500  M RES CSSEQI ATM1   ATM2   ATM3                                     
-REMARK 500    ASP A 153   CB  -  CG  -  OD2 ANGL. DEV. =   6.0 DEGREES          
-REMARK 500    ASP B   5   CB  -  CG  -  OD2 ANGL. DEV. =   5.4 DEGREES          
-REMARK 500    ASP C 153   CB  -  CG  -  OD2 ANGL. DEV. =   5.5 DEGREES          
-REMARK 500    ASP D  85   CB  -  CG  -  OD2 ANGL. DEV. =   5.5 DEGREES          
-REMARK 500    SER D 207   CA  -  C   -  O   ANGL. DEV. =  15.0 DEGREES          
-REMARK 500    ASP E 153   CB  -  CG  -  OD2 ANGL. DEV. =   6.2 DEGREES          
-REMARK 500    ASP F  17   CB  -  CG  -  OD2 ANGL. DEV. =   6.4 DEGREES          
-REMARK 500    ASP G  85   CB  -  CG  -  OD2 ANGL. DEV. =   6.0 DEGREES          
-REMARK 500    ASP H  24   CB  -  CG  -  OD2 ANGL. DEV. =   5.7 DEGREES          
-REMARK 500    GLY H 205   CA  -  C   -  O   ANGL. DEV. = -81.5 DEGREES          
-REMARK 500    ASP I  72   CB  -  CG  -  OD2 ANGL. DEV. =   5.6 DEGREES          
-REMARK 500    ASP I 129   CB  -  CG  -  OD2 ANGL. DEV. =   8.5 DEGREES          
-REMARK 500    ASP I 194   CB  -  CG  -  OD2 ANGL. DEV. =   5.5 DEGREES          
-REMARK 500    GLY J 205   CA  -  C   -  O   ANGL. DEV. = -33.2 DEGREES          
-REMARK 500    ASP K  85   CB  -  CG  -  OD2 ANGL. DEV. =   6.3 DEGREES          
-REMARK 500    ASP L  17   CB  -  CG  -  OD2 ANGL. DEV. =   5.6 DEGREES          
-REMARK 500    ASP M  17   CB  -  CG  -  OD2 ANGL. DEV. =   7.0 DEGREES          
-REMARK 500    ASP N  17   CB  -  CG  -  OD2 ANGL. DEV. =   6.7 DEGREES          
-REMARK 500    ASP N 153   CB  -  CG  -  OD2 ANGL. DEV. =   5.6 DEGREES          
-REMARK 500    ASP N 194   CB  -  CG  -  OD2 ANGL. DEV. =   5.4 DEGREES          
-REMARK 500    ASP O  24   CB  -  CG  -  OD2 ANGL. DEV. =   5.7 DEGREES          
-REMARK 500    ARG O 104   NE  -  CZ  -  NH2 ANGL. DEV. =  -3.2 DEGREES          
-REMARK 500    ASP O 153   CB  -  CG  -  OD2 ANGL. DEV. =   5.5 DEGREES          
-REMARK 500    ARG P 104   NE  -  CZ  -  NH2 ANGL. DEV. =  -3.5 DEGREES          
-REMARK 500    ASP P 129   CB  -  CG  -  OD2 ANGL. DEV. =   5.7 DEGREES          
-REMARK 500    ARG Q 104   NE  -  CZ  -  NH2 ANGL. DEV. =  -3.7 DEGREES          
-REMARK 500    ASP R 129   CB  -  CG  -  OD2 ANGL. DEV. =   5.7 DEGREES          
-REMARK 500    ASP R 153   CB  -  CG  -  OD2 ANGL. DEV. =   6.9 DEGREES          
-REMARK 500    ASP S   5   CB  -  CG  -  OD2 ANGL. DEV. =   6.0 DEGREES          
-REMARK 500    ASP S  24   CB  -  CG  -  OD2 ANGL. DEV. =   5.6 DEGREES          
-REMARK 500    ASP T  17   CB  -  CG  -  OD2 ANGL. DEV. =   6.9 DEGREES          
-REMARK 500    ASP T 153   CB  -  CG  -  OD2 ANGL. DEV. =   6.2 DEGREES          
-REMARK 500                                                                      
-REMARK 500 REMARK: NULL                                                         
-REMARK 500                                                                      
-REMARK 500 GEOMETRY AND STEREOCHEMISTRY                                         
-REMARK 500 SUBTOPIC: TORSION ANGLES                                             
-REMARK 500                                                                      
-REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS:            
-REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER;               
-REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE).                             
-REMARK 500 STANDARD TABLE:                                                      
-REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2)                    
-REMARK 500                                                                      
-REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI-           
-REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400            
-REMARK 500                                                                      
-REMARK 500  M RES CSSEQI        PSI       PHI                                   
-REMARK 500    ARG B  23     -121.01     52.16                                   
-REMARK 500    ASP B 175      144.55   -170.91                                   
-REMARK 500    GLU C 157      116.57    -37.39                                   
-REMARK 500    ASN C 158      106.37    -35.92                                   
-REMARK 500    SER C 162        1.13    -68.61                                   
-REMARK 500    ARG D  23       63.61     28.98                                   
-REMARK 500    GLU D 157     -150.08   -141.26                                   
-REMARK 500    SER D 159       89.19    -25.65                                   
-REMARK 500    ASP D 160      158.76    -32.96                                   
-REMARK 500    SER D 162       37.89    -90.81                                   
-REMARK 500    ARG E  15       71.17   -112.97                                   
-REMARK 500    ARG E  23       54.19     33.10                                   
-REMARK 500    ASN E 158       65.98     64.76                                   
-REMARK 500    ASP E 160      141.73    -28.95                                   
-REMARK 500    ASP F  24       29.52     47.70                                   
-REMARK 500    ASP F 129       48.81   -103.57                                   
-REMARK 500    GLU F 157      154.21    -49.10                                   
-REMARK 500    ASN F 158       55.98   -102.67                                   
-REMARK 500    GLU G 157      146.72   -172.47                                   
-REMARK 500    ASP H  24       66.10     27.76                                   
-REMARK 500    SER H 162       31.00    -90.22                                   
-REMARK 500    ARG I  23       46.33     97.01                                   
-REMARK 500    ASP I  24       22.34     47.61                                   
-REMARK 500    ASN I 158       16.17    -64.01                                   
-REMARK 500    ASP I 161      -63.67   -105.79                                   
-REMARK 500    ARG J  15       75.20   -101.33                                   
-REMARK 500    ARG J  23       61.62     24.65                                   
-REMARK 500    THR J 156       79.08    -67.43                                   
-REMARK 500    ASN J 158       29.89    -71.24                                   
-REMARK 500    SER J 162       37.72    -88.07                                   
-REMARK 500    ARG K  15       74.15   -112.61                                   
-REMARK 500    ASP K  24       19.36     59.21                                   
-REMARK 500    THR K 156       92.62    -67.60                                   
-REMARK 500    ASP K 160      152.72    -34.23                                   
-REMARK 500    SER L  14      122.30    -34.64                                   
-REMARK 500    ARG L  15       73.45   -114.63                                   
-REMARK 500    ASP L  24       28.86     49.99                                   
-REMARK 500    ASP L 129       30.36    -99.41                                   
-REMARK 500    ASN L 158        9.62     45.80                                   
-REMARK 500    THR M 155      151.97    -47.11                                   
-REMARK 500    ARG N  15       78.61   -119.43                                   
-REMARK 500    ASP N  24       20.64     47.19                                   
-REMARK 500    THR N 155      127.10    -20.38                                   
-REMARK 500    ASP N 161      -89.86     30.96                                   
-REMARK 500    GLU N 163      -48.36   -141.60                                   
-REMARK 500    ARG N 206       91.35    -58.96                                   
-REMARK 500    ARG O  15       77.31   -111.53                                   
-REMARK 500    SER O  67       32.64    -98.74                                   
-REMARK 500    ASP O 129       44.57    -98.22                                   
-REMARK 500    THR O 155      160.18    -48.01                                   
-REMARK 500    ASP O 161      -74.69    -84.69                                   
-REMARK 500    SER O 162       43.49    -78.89                                   
-REMARK 500    ASP P 129       51.69   -111.08                                   
-REMARK 500    THR P 155       94.55    -67.63                                   
-REMARK 500    GLU P 157       92.57    -63.30                                   
-REMARK 500    SER P 162       37.53    -70.90                                   
-REMARK 500    TYR P 164      -11.25     75.00                                   
-REMARK 500    SER P 169      151.09    -46.19                                   
-REMARK 500    ARG Q  15       78.08   -111.39                                   
-REMARK 500    ASP Q  24        5.27     48.13                                   
-REMARK 500    ASN Q 158       67.92    -59.33                                   
-REMARK 500    ASP Q 161     -102.45    -64.48                                   
-REMARK 500    SER Q 162       48.44    -74.46                                   
-REMARK 500    SER R  14      110.76    -34.74                                   
-REMARK 500    ARG R  15       78.81   -105.51                                   
-REMARK 500    ARG R  23        6.92     94.40                                   
-REMARK 500    ASP R 160      125.49    -29.63                                   
-REMARK 500    ARG S  15       68.93   -116.51                                   
-REMARK 500    ARG S  23     -103.44     16.04                                   
-REMARK 500    SER S 159      108.34    -42.52                                   
-REMARK 500    ASP S 161      -91.13    -63.98                                   
-REMARK 500    SER S 162       42.55    -84.97                                   
-REMARK 500    ASP T 161      -81.39    -68.16                                   
-REMARK 500    SER T 162       30.36    -60.48                                   
-REMARK 500                                                                      
-REMARK 500 REMARK: NULL                                                         
-REMARK 500                                                                      
-REMARK 500 GEOMETRY AND STEREOCHEMISTRY                                         
-REMARK 500 SUBTOPIC: NON-CIS, NON-TRANS                                         
-REMARK 500                                                                      
-REMARK 500 THE FOLLOWING PEPTIDE BONDS DEVIATE SIGNIFICANTLY FROM BOTH          
-REMARK 500 CIS AND TRANS CONFORMATION.  CIS BONDS, IF ANY, ARE LISTED           
-REMARK 500 ON CISPEP RECORDS.  TRANS IS DEFINED AS 180 +/- 30 AND               
-REMARK 500 CIS IS DEFINED AS 0 +/- 30 DEGREES.                                  
-REMARK 500                                 MODEL     OMEGA                      
-REMARK 500 ASN B  158     SER B  159                 -147.61                    
-REMARK 500 ASP F  160     ASP F  161                 -146.21                    
-REMARK 500                                                                      
-REMARK 500 REMARK: NULL                                                         
-REMARK 500                                                                      
-REMARK 500 GEOMETRY AND STEREOCHEMISTRY                                         
-REMARK 500 SUBTOPIC: CHIRAL CENTERS                                             
-REMARK 500                                                                      
-REMARK 500 UNEXPECTED CONFIGURATION OF THE FOLLOWING CHIRAL                     
-REMARK 500 CENTER(S) USING IMPROPER CA--C--CB--N CHIRALITY                      
-REMARK 500 M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN                            
-REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE                   
-REMARK 500                                                                      
-REMARK 500 STANDARD TABLE:                                                      
-REMARK 500 FORMAT: (10X,I3,1X,A3,1X,A1,I4,A1,6X,F5.1,6X,A1,10X,A1,3X,A16)       
-REMARK 500                                                                      
-REMARK 500  M RES CSSEQI    IMPROPER   EXPECTED   FOUND DETAILS                 
-REMARK 500    LYS D 180        24.9      L          L   OUTSIDE RANGE           
-REMARK 500    ASP F 161        23.7      L          L   OUTSIDE RANGE           
-REMARK 500    GLU T 157        24.4      L          L   OUTSIDE RANGE           
-REMARK 500                                                                      
-REMARK 500 REMARK: NULL                                                         
-REMARK 525                                                                      
-REMARK 525 SOLVENT                                                              
-REMARK 525                                                                      
-REMARK 525 THE SOLVENT MOLECULES HAVE CHAIN IDENTIFIERS THAT                    
-REMARK 525 INDICATE THE POLYMER CHAIN WITH WHICH THEY ARE MOST                  
-REMARK 525 CLOSELY ASSOCIATED. THE REMARK LISTS ALL THE SOLVENT                 
-REMARK 525 MOLECULES WHICH ARE MORE THAN 5A AWAY FROM THE                       
-REMARK 525 NEAREST POLYMER CHAIN (M = MODEL NUMBER;                             
-REMARK 525 RES=RESIDUE NAME; C=CHAIN IDENTIFIER; SSEQ=SEQUENCE                  
-REMARK 525 NUMBER; I=INSERTION CODE):                                           
-REMARK 700                                                                      
-REMARK 700 SHEET                                                                
-REMARK 700 THE SHEET STRUCTURE OF THIS MOLECULE IS BIFURCATED. IN               
-REMARK 700 ORDER TO REPRESENT THIS FEATURE IN THE SHEET RECORDS BELOW,          
-REMARK 700 TWO SHEETS ARE DEFINED.                                              
-REMARK 800                                                                      
-REMARK 800 SITE                                                                 
-REMARK 800 SITE_IDENTIFIER: AC1                                                 
-REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
-REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE NCT A1208                 
-REMARK 800                                                                      
-REMARK 800 SITE_IDENTIFIER: AC2                                                 
-REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
-REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE NCT B1206                 
-REMARK 800                                                                      
-REMARK 800 SITE_IDENTIFIER: AC3                                                 
-REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
-REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE NCT C1206                 
-REMARK 800                                                                      
-REMARK 800 SITE_IDENTIFIER: AC4                                                 
-REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
-REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE NCT D1208                 
-REMARK 800                                                                      
-REMARK 800 SITE_IDENTIFIER: AC5                                                 
-REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
-REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE NCT E1206                 
-REMARK 800                                                                      
-REMARK 800 SITE_IDENTIFIER: AC6                                                 
-REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
-REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE NCT F1208                 
-REMARK 800                                                                      
-REMARK 800 SITE_IDENTIFIER: AC7                                                 
-REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
-REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE NCT G1206                 
-REMARK 800                                                                      
-REMARK 800 SITE_IDENTIFIER: AC8                                                 
-REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
-REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE NCT H1206                 
-REMARK 800                                                                      
-REMARK 800 SITE_IDENTIFIER: AC9                                                 
-REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
-REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE NCT I1206                 
-REMARK 800                                                                      
-REMARK 800 SITE_IDENTIFIER: BC1                                                 
-REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
-REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE NCT J1206                 
-REMARK 800                                                                      
-REMARK 800 SITE_IDENTIFIER: BC2                                                 
-REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
-REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE NCT K1206                 
-REMARK 800                                                                      
-REMARK 800 SITE_IDENTIFIER: BC3                                                 
-REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
-REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE NCT L1206                 
-REMARK 800                                                                      
-REMARK 800 SITE_IDENTIFIER: BC4                                                 
-REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
-REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE NCT M1208                 
-REMARK 800                                                                      
-REMARK 800 SITE_IDENTIFIER: BC5                                                 
-REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
-REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE NCT N1208                 
-REMARK 800                                                                      
-REMARK 800 SITE_IDENTIFIER: BC6                                                 
-REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
-REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE NCT O1206                 
-REMARK 800                                                                      
-REMARK 800 SITE_IDENTIFIER: BC7                                                 
-REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
-REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE NCT P1206                 
-REMARK 800                                                                      
-REMARK 800 SITE_IDENTIFIER: BC8                                                 
-REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
-REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE NCT Q1206                 
-REMARK 800                                                                      
-REMARK 800 SITE_IDENTIFIER: BC9                                                 
-REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
-REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE NCT R1208                 
-REMARK 800                                                                      
-REMARK 800 SITE_IDENTIFIER: CC1                                                 
-REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
-REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE NCT S1206                 
-REMARK 800                                                                      
-REMARK 800 SITE_IDENTIFIER: CC2                                                 
-REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
-REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE NCT T1208                 
-REMARK 900                                                                      
-REMARK 900 RELATED ENTRIES                                                      
-REMARK 900 RELATED ID: 1I9B   RELATED DB: PDB                                   
-REMARK 900  X-RAY STRUCTURE OF ACETYLCHOLINE BINDING                            
-REMARK 900  PROTEIN (ACHBP)                                                     
-REMARK 900 RELATED ID: 1UV6   RELATED DB: PDB                                   
-REMARK 900  X-RAY STRUCTURE OF ACETYLCHOLINE BINDING                            
-REMARK 900  PROTEIN (ACHBP) IN COMPLEX WITH                                     
-REMARK 900  CARBAMYLCHOLINE                                                     
-REMARK 900 RELATED ID: 1UX2   RELATED DB: PDB                                   
-REMARK 900  X-RAY STRUCTURE OF ACETYLCHOLINE BINDING                            
-REMARK 900  PROTEIN (ACHBP)                                                     
-DBREF  1UW6 A    0   210  UNP    P58154   ACHP_LYMST      19    229             
-DBREF  1UW6 B    0   210  UNP    P58154   ACHP_LYMST      19    229             
-DBREF  1UW6 C    0   210  UNP    P58154   ACHP_LYMST      19    229             
-DBREF  1UW6 D    0   210  UNP    P58154   ACHP_LYMST      19    229             
-DBREF  1UW6 E    0   210  UNP    P58154   ACHP_LYMST      19    229             
-DBREF  1UW6 F    0   210  UNP    P58154   ACHP_LYMST      19    229             
-DBREF  1UW6 G    0   210  UNP    P58154   ACHP_LYMST      19    229             
-DBREF  1UW6 H    0   210  UNP    P58154   ACHP_LYMST      19    229             
-DBREF  1UW6 I    0   210  UNP    P58154   ACHP_LYMST      19    229             
-DBREF  1UW6 J    0   210  UNP    P58154   ACHP_LYMST      19    229             
-DBREF  1UW6 K    0   210  UNP    P58154   ACHP_LYMST      19    229             
-DBREF  1UW6 L    0   210  UNP    P58154   ACHP_LYMST      19    229             
-DBREF  1UW6 M    0   210  UNP    P58154   ACHP_LYMST      19    229             
-DBREF  1UW6 N    0   210  UNP    P58154   ACHP_LYMST      19    229             
-DBREF  1UW6 O    0   210  UNP    P58154   ACHP_LYMST      19    229             
-DBREF  1UW6 P    0   210  UNP    P58154   ACHP_LYMST      19    229             
-DBREF  1UW6 Q    0   210  UNP    P58154   ACHP_LYMST      19    229             
-DBREF  1UW6 R    0   210  UNP    P58154   ACHP_LYMST      19    229             
-DBREF  1UW6 S    0   210  UNP    P58154   ACHP_LYMST      19    229             
-DBREF  1UW6 T    0   210  UNP    P58154   ACHP_LYMST      19    229             
-SEQADV 1UW6 GLU A    0  UNP  P58154    SER    19 CONFLICT                       
-SEQADV 1UW6 PHE A    1  UNP  P58154    LEU    20 CONFLICT                       
-SEQADV 1UW6 GLU B    0  UNP  P58154    SER    19 CONFLICT                       
-SEQADV 1UW6 PHE B    1  UNP  P58154    LEU    20 CONFLICT                       
-SEQADV 1UW6 GLU C    0  UNP  P58154    SER    19 CONFLICT                       
-SEQADV 1UW6 PHE C    1  UNP  P58154    LEU    20 CONFLICT                       
-SEQADV 1UW6 GLU D    0  UNP  P58154    SER    19 CONFLICT                       
-SEQADV 1UW6 PHE D    1  UNP  P58154    LEU    20 CONFLICT                       
-SEQADV 1UW6 GLU E    0  UNP  P58154    SER    19 CONFLICT                       
-SEQADV 1UW6 PHE E    1  UNP  P58154    LEU    20 CONFLICT                       
-SEQADV 1UW6 GLU F    0  UNP  P58154    SER    19 CONFLICT                       
-SEQADV 1UW6 PHE F    1  UNP  P58154    LEU    20 CONFLICT                       
-SEQADV 1UW6 GLU G    0  UNP  P58154    SER    19 CONFLICT                       
-SEQADV 1UW6 PHE G    1  UNP  P58154    LEU    20 CONFLICT                       
-SEQADV 1UW6 GLU H    0  UNP  P58154    SER    19 CONFLICT                       
-SEQADV 1UW6 PHE H    1  UNP  P58154    LEU    20 CONFLICT                       
-SEQADV 1UW6 GLU I    0  UNP  P58154    SER    19 CONFLICT                       
-SEQADV 1UW6 PHE I    1  UNP  P58154    LEU    20 CONFLICT                       
-SEQADV 1UW6 GLU J    0  UNP  P58154    SER    19 CONFLICT                       
-SEQADV 1UW6 PHE J    1  UNP  P58154    LEU    20 CONFLICT                       
-SEQADV 1UW6 GLU K    0  UNP  P58154    SER    19 CONFLICT                       
-SEQADV 1UW6 PHE K    1  UNP  P58154    LEU    20 CONFLICT                       
-SEQADV 1UW6 GLU L    0  UNP  P58154    SER    19 CONFLICT                       
-SEQADV 1UW6 PHE L    1  UNP  P58154    LEU    20 CONFLICT                       
-SEQADV 1UW6 GLU M    0  UNP  P58154    SER    19 CONFLICT                       
-SEQADV 1UW6 PHE M    1  UNP  P58154    LEU    20 CONFLICT                       
-SEQADV 1UW6 GLU N    0  UNP  P58154    SER    19 CONFLICT                       
-SEQADV 1UW6 PHE N    1  UNP  P58154    LEU    20 CONFLICT                       
-SEQADV 1UW6 GLU O    0  UNP  P58154    SER    19 CONFLICT                       
-SEQADV 1UW6 PHE O    1  UNP  P58154    LEU    20 CONFLICT                       
-SEQADV 1UW6 GLU P    0  UNP  P58154    SER    19 CONFLICT                       
-SEQADV 1UW6 PHE P    1  UNP  P58154    LEU    20 CONFLICT                       
-SEQADV 1UW6 GLU Q    0  UNP  P58154    SER    19 CONFLICT                       
-SEQADV 1UW6 PHE Q    1  UNP  P58154    LEU    20 CONFLICT                       
-SEQADV 1UW6 GLU R    0  UNP  P58154    SER    19 CONFLICT                       
-SEQADV 1UW6 PHE R    1  UNP  P58154    LEU    20 CONFLICT                       
-SEQADV 1UW6 GLU S    0  UNP  P58154    SER    19 CONFLICT                       
-SEQADV 1UW6 PHE S    1  UNP  P58154    LEU    20 CONFLICT                       
-SEQADV 1UW6 GLU T    0  UNP  P58154    SER    19 CONFLICT                       
-SEQADV 1UW6 PHE T    1  UNP  P58154    LEU    20 CONFLICT                       
-SEQRES   1 A  211  GLU PHE ASP ARG ALA ASP ILE LEU TYR ASN ILE ARG GLN          
-SEQRES   2 A  211  THR SER ARG PRO ASP VAL ILE PRO THR GLN ARG ASP ARG          
-SEQRES   3 A  211  PRO VAL ALA VAL SER VAL SER LEU LYS PHE ILE ASN ILE          
-SEQRES   4 A  211  LEU GLU VAL ASN GLU ILE THR ASN GLU VAL ASP VAL VAL          
-SEQRES   5 A  211  PHE TRP GLN GLN THR THR TRP SER ASP ARG THR LEU ALA          
-SEQRES   6 A  211  TRP ASN SER SER HIS SER PRO ASP GLN VAL SER VAL PRO          
-SEQRES   7 A  211  ILE SER SER LEU TRP VAL PRO ASP LEU ALA ALA TYR ASN          
-SEQRES   8 A  211  ALA ILE SER LYS PRO GLU VAL LEU THR PRO GLN LEU ALA          
-SEQRES   9 A  211  ARG VAL VAL SER ASP GLY GLU VAL LEU TYR MET PRO SER          
-SEQRES  10 A  211  ILE ARG GLN ARG PHE SER CYS ASP VAL SER GLY VAL ASP          
-SEQRES  11 A  211  THR GLU SER GLY ALA THR CYS ARG ILE LYS ILE GLY SER          
-SEQRES  12 A  211  TRP THR HIS HIS SER ARG GLU ILE SER VAL ASP PRO THR          
-SEQRES  13 A  211  THR GLU ASN SER ASP ASP SER GLU TYR PHE SER GLN TYR          
-SEQRES  14 A  211  SER ARG PHE GLU ILE LEU ASP VAL THR GLN LYS LYS ASN          
-SEQRES  15 A  211  SER VAL THR TYR SER CYS CYS PRO GLU ALA TYR GLU ASP          
-SEQRES  16 A  211  VAL GLU VAL SER LEU ASN PHE ARG LYS LYS GLY ARG SER          
-SEQRES  17 A  211  GLU ILE LEU                                                  
-SEQRES   1 B  211  GLU PHE ASP ARG ALA ASP ILE LEU TYR ASN ILE ARG GLN          
-SEQRES   2 B  211  THR SER ARG PRO ASP VAL ILE PRO THR GLN ARG ASP ARG          
-SEQRES   3 B  211  PRO VAL ALA VAL SER VAL SER LEU LYS PHE ILE ASN ILE          
-SEQRES   4 B  211  LEU GLU VAL ASN GLU ILE THR ASN GLU VAL ASP VAL VAL          
-SEQRES   5 B  211  PHE TRP GLN GLN THR THR TRP SER ASP ARG THR LEU ALA          
-SEQRES   6 B  211  TRP ASN SER SER HIS SER PRO ASP GLN VAL SER VAL PRO          
-SEQRES   7 B  211  ILE SER SER LEU TRP VAL PRO ASP LEU ALA ALA TYR ASN          
-SEQRES   8 B  211  ALA ILE SER LYS PRO GLU VAL LEU THR PRO GLN LEU ALA          
-SEQRES   9 B  211  ARG VAL VAL SER ASP GLY GLU VAL LEU TYR MET PRO SER          
-SEQRES  10 B  211  ILE ARG GLN ARG PHE SER CYS ASP VAL SER GLY VAL ASP          
-SEQRES  11 B  211  THR GLU SER GLY ALA THR CYS ARG ILE LYS ILE GLY SER          
-SEQRES  12 B  211  TRP THR HIS HIS SER ARG GLU ILE SER VAL ASP PRO THR          
-SEQRES  13 B  211  THR GLU ASN SER ASP ASP SER GLU TYR PHE SER GLN TYR          
-SEQRES  14 B  211  SER ARG PHE GLU ILE LEU ASP VAL THR GLN LYS LYS ASN          
-SEQRES  15 B  211  SER VAL THR TYR SER CYS CYS PRO GLU ALA TYR GLU ASP          
-SEQRES  16 B  211  VAL GLU VAL SER LEU ASN PHE ARG LYS LYS GLY ARG SER          
-SEQRES  17 B  211  GLU ILE LEU                                                  
-SEQRES   1 C  211  GLU PHE ASP ARG ALA ASP ILE LEU TYR ASN ILE ARG GLN          
-SEQRES   2 C  211  THR SER ARG PRO ASP VAL ILE PRO THR GLN ARG ASP ARG          
-SEQRES   3 C  211  PRO VAL ALA VAL SER VAL SER LEU LYS PHE ILE ASN ILE          
-SEQRES   4 C  211  LEU GLU VAL ASN GLU ILE THR ASN GLU VAL ASP VAL VAL          
-SEQRES   5 C  211  PHE TRP GLN GLN THR THR TRP SER ASP ARG THR LEU ALA          
-SEQRES   6 C  211  TRP ASN SER SER HIS SER PRO ASP GLN VAL SER VAL PRO          
-SEQRES   7 C  211  ILE SER SER LEU TRP VAL PRO ASP LEU ALA ALA TYR ASN          
-SEQRES   8 C  211  ALA ILE SER LYS PRO GLU VAL LEU THR PRO GLN LEU ALA          
-SEQRES   9 C  211  ARG VAL VAL SER ASP GLY GLU VAL LEU TYR MET PRO SER          
-SEQRES  10 C  211  ILE ARG GLN ARG PHE SER CYS ASP VAL SER GLY VAL ASP          
-SEQRES  11 C  211  THR GLU SER GLY ALA THR CYS ARG ILE LYS ILE GLY SER          
-SEQRES  12 C  211  TRP THR HIS HIS SER ARG GLU ILE SER VAL ASP PRO THR          
-SEQRES  13 C  211  THR GLU ASN SER ASP ASP SER GLU TYR PHE SER GLN TYR          
-SEQRES  14 C  211  SER ARG PHE GLU ILE LEU ASP VAL THR GLN LYS LYS ASN          
-SEQRES  15 C  211  SER VAL THR TYR SER CYS CYS PRO GLU ALA TYR GLU ASP          
-SEQRES  16 C  211  VAL GLU VAL SER LEU ASN PHE ARG LYS LYS GLY ARG SER          
-SEQRES  17 C  211  GLU ILE LEU                                                  
-SEQRES   1 D  211  GLU PHE ASP ARG ALA ASP ILE LEU TYR ASN ILE ARG GLN          
-SEQRES   2 D  211  THR SER ARG PRO ASP VAL ILE PRO THR GLN ARG ASP ARG          
-SEQRES   3 D  211  PRO VAL ALA VAL SER VAL SER LEU LYS PHE ILE ASN ILE          
-SEQRES   4 D  211  LEU GLU VAL ASN GLU ILE THR ASN GLU VAL ASP VAL VAL          
-SEQRES   5 D  211  PHE TRP GLN GLN THR THR TRP SER ASP ARG THR LEU ALA          
-SEQRES   6 D  211  TRP ASN SER SER HIS SER PRO ASP GLN VAL SER VAL PRO          
-SEQRES   7 D  211  ILE SER SER LEU TRP VAL PRO ASP LEU ALA ALA TYR ASN          
-SEQRES   8 D  211  ALA ILE SER LYS PRO GLU VAL LEU THR PRO GLN LEU ALA          
-SEQRES   9 D  211  ARG VAL VAL SER ASP GLY GLU VAL LEU TYR MET PRO SER          
-SEQRES  10 D  211  ILE ARG GLN ARG PHE SER CYS ASP VAL SER GLY VAL ASP          
-SEQRES  11 D  211  THR GLU SER GLY ALA THR CYS ARG ILE LYS ILE GLY SER          
-SEQRES  12 D  211  TRP THR HIS HIS SER ARG GLU ILE SER VAL ASP PRO THR          
-SEQRES  13 D  211  THR GLU ASN SER ASP ASP SER GLU TYR PHE SER GLN TYR          
-SEQRES  14 D  211  SER ARG PHE GLU ILE LEU ASP VAL THR GLN LYS LYS ASN          
-SEQRES  15 D  211  SER VAL THR TYR SER CYS CYS PRO GLU ALA TYR GLU ASP          
-SEQRES  16 D  211  VAL GLU VAL SER LEU ASN PHE ARG LYS LYS GLY ARG SER          
-SEQRES  17 D  211  GLU ILE LEU                                                  
-SEQRES   1 E  211  GLU PHE ASP ARG ALA ASP ILE LEU TYR ASN ILE ARG GLN          
-SEQRES   2 E  211  THR SER ARG PRO ASP VAL ILE PRO THR GLN ARG ASP ARG          
-SEQRES   3 E  211  PRO VAL ALA VAL SER VAL SER LEU LYS PHE ILE ASN ILE          
-SEQRES   4 E  211  LEU GLU VAL ASN GLU ILE THR ASN GLU VAL ASP VAL VAL          
-SEQRES   5 E  211  PHE TRP GLN GLN THR THR TRP SER ASP ARG THR LEU ALA          
-SEQRES   6 E  211  TRP ASN SER SER HIS SER PRO ASP GLN VAL SER VAL PRO          
-SEQRES   7 E  211  ILE SER SER LEU TRP VAL PRO ASP LEU ALA ALA TYR ASN          
-SEQRES   8 E  211  ALA ILE SER LYS PRO GLU VAL LEU THR PRO GLN LEU ALA          
-SEQRES   9 E  211  ARG VAL VAL SER ASP GLY GLU VAL LEU TYR MET PRO SER          
-SEQRES  10 E  211  ILE ARG GLN ARG PHE SER CYS ASP VAL SER GLY VAL ASP          
-SEQRES  11 E  211  THR GLU SER GLY ALA THR CYS ARG ILE LYS ILE GLY SER          
-SEQRES  12 E  211  TRP THR HIS HIS SER ARG GLU ILE SER VAL ASP PRO THR          
-SEQRES  13 E  211  THR GLU ASN SER ASP ASP SER GLU TYR PHE SER GLN TYR          
-SEQRES  14 E  211  SER ARG PHE GLU ILE LEU ASP VAL THR GLN LYS LYS ASN          
-SEQRES  15 E  211  SER VAL THR TYR SER CYS CYS PRO GLU ALA TYR GLU ASP          
-SEQRES  16 E  211  VAL GLU VAL SER LEU ASN PHE ARG LYS LYS GLY ARG SER          
-SEQRES  17 E  211  GLU ILE LEU                                                  
-SEQRES   1 F  211  GLU PHE ASP ARG ALA ASP ILE LEU TYR ASN ILE ARG GLN          
-SEQRES   2 F  211  THR SER ARG PRO ASP VAL ILE PRO THR GLN ARG ASP ARG          
-SEQRES   3 F  211  PRO VAL ALA VAL SER VAL SER LEU LYS PHE ILE ASN ILE          
-SEQRES   4 F  211  LEU GLU VAL ASN GLU ILE THR ASN GLU VAL ASP VAL VAL          
-SEQRES   5 F  211  PHE TRP GLN GLN THR THR TRP SER ASP ARG THR LEU ALA          
-SEQRES   6 F  211  TRP ASN SER SER HIS SER PRO ASP GLN VAL SER VAL PRO          
-SEQRES   7 F  211  ILE SER SER LEU TRP VAL PRO ASP LEU ALA ALA TYR ASN          
-SEQRES   8 F  211  ALA ILE SER LYS PRO GLU VAL LEU THR PRO GLN LEU ALA          
-SEQRES   9 F  211  ARG VAL VAL SER ASP GLY GLU VAL LEU TYR MET PRO SER          
-SEQRES  10 F  211  ILE ARG GLN ARG PHE SER CYS ASP VAL SER GLY VAL ASP          
-SEQRES  11 F  211  THR GLU SER GLY ALA THR CYS ARG ILE LYS ILE GLY SER          
-SEQRES  12 F  211  TRP THR HIS HIS SER ARG GLU ILE SER VAL ASP PRO THR          
-SEQRES  13 F  211  THR GLU ASN SER ASP ASP SER GLU TYR PHE SER GLN TYR          
-SEQRES  14 F  211  SER ARG PHE GLU ILE LEU ASP VAL THR GLN LYS LYS ASN          
-SEQRES  15 F  211  SER VAL THR TYR SER CYS CYS PRO GLU ALA TYR GLU ASP          
-SEQRES  16 F  211  VAL GLU VAL SER LEU ASN PHE ARG LYS LYS GLY ARG SER          
-SEQRES  17 F  211  GLU ILE LEU                                                  
-SEQRES   1 G  211  GLU PHE ASP ARG ALA ASP ILE LEU TYR ASN ILE ARG GLN          
-SEQRES   2 G  211  THR SER ARG PRO ASP VAL ILE PRO THR GLN ARG ASP ARG          
-SEQRES   3 G  211  PRO VAL ALA VAL SER VAL SER LEU LYS PHE ILE ASN ILE          
-SEQRES   4 G  211  LEU GLU VAL ASN GLU ILE THR ASN GLU VAL ASP VAL VAL          
-SEQRES   5 G  211  PHE TRP GLN GLN THR THR TRP SER ASP ARG THR LEU ALA          
-SEQRES   6 G  211  TRP ASN SER SER HIS SER PRO ASP GLN VAL SER VAL PRO          
-SEQRES   7 G  211  ILE SER SER LEU TRP VAL PRO ASP LEU ALA ALA TYR ASN          
-SEQRES   8 G  211  ALA ILE SER LYS PRO GLU VAL LEU THR PRO GLN LEU ALA          
-SEQRES   9 G  211  ARG VAL VAL SER ASP GLY GLU VAL LEU TYR MET PRO SER          
-SEQRES  10 G  211  ILE ARG GLN ARG PHE SER CYS ASP VAL SER GLY VAL ASP          
-SEQRES  11 G  211  THR GLU SER GLY ALA THR CYS ARG ILE LYS ILE GLY SER          
-SEQRES  12 G  211  TRP THR HIS HIS SER ARG GLU ILE SER VAL ASP PRO THR          
-SEQRES  13 G  211  THR GLU ASN SER ASP ASP SER GLU TYR PHE SER GLN TYR          
-SEQRES  14 G  211  SER ARG PHE GLU ILE LEU ASP VAL THR GLN LYS LYS ASN          
-SEQRES  15 G  211  SER VAL THR TYR SER CYS CYS PRO GLU ALA TYR GLU ASP          
-SEQRES  16 G  211  VAL GLU VAL SER LEU ASN PHE ARG LYS LYS GLY ARG SER          
-SEQRES  17 G  211  GLU ILE LEU                                                  
-SEQRES   1 H  211  GLU PHE ASP ARG ALA ASP ILE LEU TYR ASN ILE ARG GLN          
-SEQRES   2 H  211  THR SER ARG PRO ASP VAL ILE PRO THR GLN ARG ASP ARG          
-SEQRES   3 H  211  PRO VAL ALA VAL SER VAL SER LEU LYS PHE ILE ASN ILE          
-SEQRES   4 H  211  LEU GLU VAL ASN GLU ILE THR ASN GLU VAL ASP VAL VAL          
-SEQRES   5 H  211  PHE TRP GLN GLN THR THR TRP SER ASP ARG THR LEU ALA          
-SEQRES   6 H  211  TRP ASN SER SER HIS SER PRO ASP GLN VAL SER VAL PRO          
-SEQRES   7 H  211  ILE SER SER LEU TRP VAL PRO ASP LEU ALA ALA TYR ASN          
-SEQRES   8 H  211  ALA ILE SER LYS PRO GLU VAL LEU THR PRO GLN LEU ALA          
-SEQRES   9 H  211  ARG VAL VAL SER ASP GLY GLU VAL LEU TYR MET PRO SER          
-SEQRES  10 H  211  ILE ARG GLN ARG PHE SER CYS ASP VAL SER GLY VAL ASP          
-SEQRES  11 H  211  THR GLU SER GLY ALA THR CYS ARG ILE LYS ILE GLY SER          
-SEQRES  12 H  211  TRP THR HIS HIS SER ARG GLU ILE SER VAL ASP PRO THR          
-SEQRES  13 H  211  THR GLU ASN SER ASP ASP SER GLU TYR PHE SER GLN TYR          
-SEQRES  14 H  211  SER ARG PHE GLU ILE LEU ASP VAL THR GLN LYS LYS ASN          
-SEQRES  15 H  211  SER VAL THR TYR SER CYS CYS PRO GLU ALA TYR GLU ASP          
-SEQRES  16 H  211  VAL GLU VAL SER LEU ASN PHE ARG LYS LYS GLY ARG SER          
-SEQRES  17 H  211  GLU ILE LEU                                                  
-SEQRES   1 I  211  GLU PHE ASP ARG ALA ASP ILE LEU TYR ASN ILE ARG GLN          
-SEQRES   2 I  211  THR SER ARG PRO ASP VAL ILE PRO THR GLN ARG ASP ARG          
-SEQRES   3 I  211  PRO VAL ALA VAL SER VAL SER LEU LYS PHE ILE ASN ILE          
-SEQRES   4 I  211  LEU GLU VAL ASN GLU ILE THR ASN GLU VAL ASP VAL VAL          
-SEQRES   5 I  211  PHE TRP GLN GLN THR THR TRP SER ASP ARG THR LEU ALA          
-SEQRES   6 I  211  TRP ASN SER SER HIS SER PRO ASP GLN VAL SER VAL PRO          
-SEQRES   7 I  211  ILE SER SER LEU TRP VAL PRO ASP LEU ALA ALA TYR ASN          
-SEQRES   8 I  211  ALA ILE SER LYS PRO GLU VAL LEU THR PRO GLN LEU ALA          
-SEQRES   9 I  211  ARG VAL VAL SER ASP GLY GLU VAL LEU TYR MET PRO SER          
-SEQRES  10 I  211  ILE ARG GLN ARG PHE SER CYS ASP VAL SER GLY VAL ASP          
-SEQRES  11 I  211  THR GLU SER GLY ALA THR CYS ARG ILE LYS ILE GLY SER          
-SEQRES  12 I  211  TRP THR HIS HIS SER ARG GLU ILE SER VAL ASP PRO THR          
-SEQRES  13 I  211  THR GLU ASN SER ASP ASP SER GLU TYR PHE SER GLN TYR          
-SEQRES  14 I  211  SER ARG PHE GLU ILE LEU ASP VAL THR GLN LYS LYS ASN          
-SEQRES  15 I  211  SER VAL THR TYR SER CYS CYS PRO GLU ALA TYR GLU ASP          
-SEQRES  16 I  211  VAL GLU VAL SER LEU ASN PHE ARG LYS LYS GLY ARG SER          
-SEQRES  17 I  211  GLU ILE LEU                                                  
-SEQRES   1 J  211  GLU PHE ASP ARG ALA ASP ILE LEU TYR ASN ILE ARG GLN          
-SEQRES   2 J  211  THR SER ARG PRO ASP VAL ILE PRO THR GLN ARG ASP ARG          
-SEQRES   3 J  211  PRO VAL ALA VAL SER VAL SER LEU LYS PHE ILE ASN ILE          
-SEQRES   4 J  211  LEU GLU VAL ASN GLU ILE THR ASN GLU VAL ASP VAL VAL          
-SEQRES   5 J  211  PHE TRP GLN GLN THR THR TRP SER ASP ARG THR LEU ALA          
-SEQRES   6 J  211  TRP ASN SER SER HIS SER PRO ASP GLN VAL SER VAL PRO          
-SEQRES   7 J  211  ILE SER SER LEU TRP VAL PRO ASP LEU ALA ALA TYR ASN          
-SEQRES   8 J  211  ALA ILE SER LYS PRO GLU VAL LEU THR PRO GLN LEU ALA          
-SEQRES   9 J  211  ARG VAL VAL SER ASP GLY GLU VAL LEU TYR MET PRO SER          
-SEQRES  10 J  211  ILE ARG GLN ARG PHE SER CYS ASP VAL SER GLY VAL ASP          
-SEQRES  11 J  211  THR GLU SER GLY ALA THR CYS ARG ILE LYS ILE GLY SER          
-SEQRES  12 J  211  TRP THR HIS HIS SER ARG GLU ILE SER VAL ASP PRO THR          
-SEQRES  13 J  211  THR GLU ASN SER ASP ASP SER GLU TYR PHE SER GLN TYR          
-SEQRES  14 J  211  SER ARG PHE GLU ILE LEU ASP VAL THR GLN LYS LYS ASN          
-SEQRES  15 J  211  SER VAL THR TYR SER CYS CYS PRO GLU ALA TYR GLU ASP          
-SEQRES  16 J  211  VAL GLU VAL SER LEU ASN PHE ARG LYS LYS GLY ARG SER          
-SEQRES  17 J  211  GLU ILE LEU                                                  
-SEQRES   1 K  211  GLU PHE ASP ARG ALA ASP ILE LEU TYR ASN ILE ARG GLN          
-SEQRES   2 K  211  THR SER ARG PRO ASP VAL ILE PRO THR GLN ARG ASP ARG          
-SEQRES   3 K  211  PRO VAL ALA VAL SER VAL SER LEU LYS PHE ILE ASN ILE          
-SEQRES   4 K  211  LEU GLU VAL ASN GLU ILE THR ASN GLU VAL ASP VAL VAL          
-SEQRES   5 K  211  PHE TRP GLN GLN THR THR TRP SER ASP ARG THR LEU ALA          
-SEQRES   6 K  211  TRP ASN SER SER HIS SER PRO ASP GLN VAL SER VAL PRO          
-SEQRES   7 K  211  ILE SER SER LEU TRP VAL PRO ASP LEU ALA ALA TYR ASN          
-SEQRES   8 K  211  ALA ILE SER LYS PRO GLU VAL LEU THR PRO GLN LEU ALA          
-SEQRES   9 K  211  ARG VAL VAL SER ASP GLY GLU VAL LEU TYR MET PRO SER          
-SEQRES  10 K  211  ILE ARG GLN ARG PHE SER CYS ASP VAL SER GLY VAL ASP          
-SEQRES  11 K  211  THR GLU SER GLY ALA THR CYS ARG ILE LYS ILE GLY SER          
-SEQRES  12 K  211  TRP THR HIS HIS SER ARG GLU ILE SER VAL ASP PRO THR          
-SEQRES  13 K  211  THR GLU ASN SER ASP ASP SER GLU TYR PHE SER GLN TYR          
-SEQRES  14 K  211  SER ARG PHE GLU ILE LEU ASP VAL THR GLN LYS LYS ASN          
-SEQRES  15 K  211  SER VAL THR TYR SER CYS CYS PRO GLU ALA TYR GLU ASP          
-SEQRES  16 K  211  VAL GLU VAL SER LEU ASN PHE ARG LYS LYS GLY ARG SER          
-SEQRES  17 K  211  GLU ILE LEU                                                  
-SEQRES   1 L  211  GLU PHE ASP ARG ALA ASP ILE LEU TYR ASN ILE ARG GLN          
-SEQRES   2 L  211  THR SER ARG PRO ASP VAL ILE PRO THR GLN ARG ASP ARG          
-SEQRES   3 L  211  PRO VAL ALA VAL SER VAL SER LEU LYS PHE ILE ASN ILE          
-SEQRES   4 L  211  LEU GLU VAL ASN GLU ILE THR ASN GLU VAL ASP VAL VAL          
-SEQRES   5 L  211  PHE TRP GLN GLN THR THR TRP SER ASP ARG THR LEU ALA          
-SEQRES   6 L  211  TRP ASN SER SER HIS SER PRO ASP GLN VAL SER VAL PRO          
-SEQRES   7 L  211  ILE SER SER LEU TRP VAL PRO ASP LEU ALA ALA TYR ASN          
-SEQRES   8 L  211  ALA ILE SER LYS PRO GLU VAL LEU THR PRO GLN LEU ALA          
-SEQRES   9 L  211  ARG VAL VAL SER ASP GLY GLU VAL LEU TYR MET PRO SER          
-SEQRES  10 L  211  ILE ARG GLN ARG PHE SER CYS ASP VAL SER GLY VAL ASP          
-SEQRES  11 L  211  THR GLU SER GLY ALA THR CYS ARG ILE LYS ILE GLY SER          
-SEQRES  12 L  211  TRP THR HIS HIS SER ARG GLU ILE SER VAL ASP PRO THR          
-SEQRES  13 L  211  THR GLU ASN SER ASP ASP SER GLU TYR PHE SER GLN TYR          
-SEQRES  14 L  211  SER ARG PHE GLU ILE LEU ASP VAL THR GLN LYS LYS ASN          
-SEQRES  15 L  211  SER VAL THR TYR SER CYS CYS PRO GLU ALA TYR GLU ASP          
-SEQRES  16 L  211  VAL GLU VAL SER LEU ASN PHE ARG LYS LYS GLY ARG SER          
-SEQRES  17 L  211  GLU ILE LEU                                                  
-SEQRES   1 M  211  GLU PHE ASP ARG ALA ASP ILE LEU TYR ASN ILE ARG GLN          
-SEQRES   2 M  211  THR SER ARG PRO ASP VAL ILE PRO THR GLN ARG ASP ARG          
-SEQRES   3 M  211  PRO VAL ALA VAL SER VAL SER LEU LYS PHE ILE ASN ILE          
-SEQRES   4 M  211  LEU GLU VAL ASN GLU ILE THR ASN GLU VAL ASP VAL VAL          
-SEQRES   5 M  211  PHE TRP GLN GLN THR THR TRP SER ASP ARG THR LEU ALA          
-SEQRES   6 M  211  TRP ASN SER SER HIS SER PRO ASP GLN VAL SER VAL PRO          
-SEQRES   7 M  211  ILE SER SER LEU TRP VAL PRO ASP LEU ALA ALA TYR ASN          
-SEQRES   8 M  211  ALA ILE SER LYS PRO GLU VAL LEU THR PRO GLN LEU ALA          
-SEQRES   9 M  211  ARG VAL VAL SER ASP GLY GLU VAL LEU TYR MET PRO SER          
-SEQRES  10 M  211  ILE ARG GLN ARG PHE SER CYS ASP VAL SER GLY VAL ASP          
-SEQRES  11 M  211  THR GLU SER GLY ALA THR CYS ARG ILE LYS ILE GLY SER          
-SEQRES  12 M  211  TRP THR HIS HIS SER ARG GLU ILE SER VAL ASP PRO THR          
-SEQRES  13 M  211  THR GLU ASN SER ASP ASP SER GLU TYR PHE SER GLN TYR          
-SEQRES  14 M  211  SER ARG PHE GLU ILE LEU ASP VAL THR GLN LYS LYS ASN          
-SEQRES  15 M  211  SER VAL THR TYR SER CYS CYS PRO GLU ALA TYR GLU ASP          
-SEQRES  16 M  211  VAL GLU VAL SER LEU ASN PHE ARG LYS LYS GLY ARG SER          
-SEQRES  17 M  211  GLU ILE LEU                                                  
-SEQRES   1 N  211  GLU PHE ASP ARG ALA ASP ILE LEU TYR ASN ILE ARG GLN          
-SEQRES   2 N  211  THR SER ARG PRO ASP VAL ILE PRO THR GLN ARG ASP ARG          
-SEQRES   3 N  211  PRO VAL ALA VAL SER VAL SER LEU LYS PHE ILE ASN ILE          
-SEQRES   4 N  211  LEU GLU VAL ASN GLU ILE THR ASN GLU VAL ASP VAL VAL          
-SEQRES   5 N  211  PHE TRP GLN GLN THR THR TRP SER ASP ARG THR LEU ALA          
-SEQRES   6 N  211  TRP ASN SER SER HIS SER PRO ASP GLN VAL SER VAL PRO          
-SEQRES   7 N  211  ILE SER SER LEU TRP VAL PRO ASP LEU ALA ALA TYR ASN          
-SEQRES   8 N  211  ALA ILE SER LYS PRO GLU VAL LEU THR PRO GLN LEU ALA          
-SEQRES   9 N  211  ARG VAL VAL SER ASP GLY GLU VAL LEU TYR MET PRO SER          
-SEQRES  10 N  211  ILE ARG GLN ARG PHE SER CYS ASP VAL SER GLY VAL ASP          
-SEQRES  11 N  211  THR GLU SER GLY ALA THR CYS ARG ILE LYS ILE GLY SER          
-SEQRES  12 N  211  TRP THR HIS HIS SER ARG GLU ILE SER VAL ASP PRO THR          
-SEQRES  13 N  211  THR GLU ASN SER ASP ASP SER GLU TYR PHE SER GLN TYR          
-SEQRES  14 N  211  SER ARG PHE GLU ILE LEU ASP VAL THR GLN LYS LYS ASN          
-SEQRES  15 N  211  SER VAL THR TYR SER CYS CYS PRO GLU ALA TYR GLU ASP          
-SEQRES  16 N  211  VAL GLU VAL SER LEU ASN PHE ARG LYS LYS GLY ARG SER          
-SEQRES  17 N  211  GLU ILE LEU                                                  
-SEQRES   1 O  211  GLU PHE ASP ARG ALA ASP ILE LEU TYR ASN ILE ARG GLN          
-SEQRES   2 O  211  THR SER ARG PRO ASP VAL ILE PRO THR GLN ARG ASP ARG          
-SEQRES   3 O  211  PRO VAL ALA VAL SER VAL SER LEU LYS PHE ILE ASN ILE          
-SEQRES   4 O  211  LEU GLU VAL ASN GLU ILE THR ASN GLU VAL ASP VAL VAL          
-SEQRES   5 O  211  PHE TRP GLN GLN THR THR TRP SER ASP ARG THR LEU ALA          
-SEQRES   6 O  211  TRP ASN SER SER HIS SER PRO ASP GLN VAL SER VAL PRO          
-SEQRES   7 O  211  ILE SER SER LEU TRP VAL PRO ASP LEU ALA ALA TYR ASN          
-SEQRES   8 O  211  ALA ILE SER LYS PRO GLU VAL LEU THR PRO GLN LEU ALA          
-SEQRES   9 O  211  ARG VAL VAL SER ASP GLY GLU VAL LEU TYR MET PRO SER          
-SEQRES  10 O  211  ILE ARG GLN ARG PHE SER CYS ASP VAL SER GLY VAL ASP          
-SEQRES  11 O  211  THR GLU SER GLY ALA THR CYS ARG ILE LYS ILE GLY SER          
-SEQRES  12 O  211  TRP THR HIS HIS SER ARG GLU ILE SER VAL ASP PRO THR          
-SEQRES  13 O  211  THR GLU ASN SER ASP ASP SER GLU TYR PHE SER GLN TYR          
-SEQRES  14 O  211  SER ARG PHE GLU ILE LEU ASP VAL THR GLN LYS LYS ASN          
-SEQRES  15 O  211  SER VAL THR TYR SER CYS CYS PRO GLU ALA TYR GLU ASP          
-SEQRES  16 O  211  VAL GLU VAL SER LEU ASN PHE ARG LYS LYS GLY ARG SER          
-SEQRES  17 O  211  GLU ILE LEU                                                  
-SEQRES   1 P  211  GLU PHE ASP ARG ALA ASP ILE LEU TYR ASN ILE ARG GLN          
-SEQRES   2 P  211  THR SER ARG PRO ASP VAL ILE PRO THR GLN ARG ASP ARG          
-SEQRES   3 P  211  PRO VAL ALA VAL SER VAL SER LEU LYS PHE ILE ASN ILE          
-SEQRES   4 P  211  LEU GLU VAL ASN GLU ILE THR ASN GLU VAL ASP VAL VAL          
-SEQRES   5 P  211  PHE TRP GLN GLN THR THR TRP SER ASP ARG THR LEU ALA          
-SEQRES   6 P  211  TRP ASN SER SER HIS SER PRO ASP GLN VAL SER VAL PRO          
-SEQRES   7 P  211  ILE SER SER LEU TRP VAL PRO ASP LEU ALA ALA TYR ASN          
-SEQRES   8 P  211  ALA ILE SER LYS PRO GLU VAL LEU THR PRO GLN LEU ALA          
-SEQRES   9 P  211  ARG VAL VAL SER ASP GLY GLU VAL LEU TYR MET PRO SER          
-SEQRES  10 P  211  ILE ARG GLN ARG PHE SER CYS ASP VAL SER GLY VAL ASP          
-SEQRES  11 P  211  THR GLU SER GLY ALA THR CYS ARG ILE LYS ILE GLY SER          
-SEQRES  12 P  211  TRP THR HIS HIS SER ARG GLU ILE SER VAL ASP PRO THR          
-SEQRES  13 P  211  THR GLU ASN SER ASP ASP SER GLU TYR PHE SER GLN TYR          
-SEQRES  14 P  211  SER ARG PHE GLU ILE LEU ASP VAL THR GLN LYS LYS ASN          
-SEQRES  15 P  211  SER VAL THR TYR SER CYS CYS PRO GLU ALA TYR GLU ASP          
-SEQRES  16 P  211  VAL GLU VAL SER LEU ASN PHE ARG LYS LYS GLY ARG SER          
-SEQRES  17 P  211  GLU ILE LEU                                                  
-SEQRES   1 Q  211  GLU PHE ASP ARG ALA ASP ILE LEU TYR ASN ILE ARG GLN          
-SEQRES   2 Q  211  THR SER ARG PRO ASP VAL ILE PRO THR GLN ARG ASP ARG          
-SEQRES   3 Q  211  PRO VAL ALA VAL SER VAL SER LEU LYS PHE ILE ASN ILE          
-SEQRES   4 Q  211  LEU GLU VAL ASN GLU ILE THR ASN GLU VAL ASP VAL VAL          
-SEQRES   5 Q  211  PHE TRP GLN GLN THR THR TRP SER ASP ARG THR LEU ALA          
-SEQRES   6 Q  211  TRP ASN SER SER HIS SER PRO ASP GLN VAL SER VAL PRO          
-SEQRES   7 Q  211  ILE SER SER LEU TRP VAL PRO ASP LEU ALA ALA TYR ASN          
-SEQRES   8 Q  211  ALA ILE SER LYS PRO GLU VAL LEU THR PRO GLN LEU ALA          
-SEQRES   9 Q  211  ARG VAL VAL SER ASP GLY GLU VAL LEU TYR MET PRO SER          
-SEQRES  10 Q  211  ILE ARG GLN ARG PHE SER CYS ASP VAL SER GLY VAL ASP          
-SEQRES  11 Q  211  THR GLU SER GLY ALA THR CYS ARG ILE LYS ILE GLY SER          
-SEQRES  12 Q  211  TRP THR HIS HIS SER ARG GLU ILE SER VAL ASP PRO THR          
-SEQRES  13 Q  211  THR GLU ASN SER ASP ASP SER GLU TYR PHE SER GLN TYR          
-SEQRES  14 Q  211  SER ARG PHE GLU ILE LEU ASP VAL THR GLN LYS LYS ASN          
-SEQRES  15 Q  211  SER VAL THR TYR SER CYS CYS PRO GLU ALA TYR GLU ASP          
-SEQRES  16 Q  211  VAL GLU VAL SER LEU ASN PHE ARG LYS LYS GLY ARG SER          
-SEQRES  17 Q  211  GLU ILE LEU                                                  
-SEQRES   1 R  211  GLU PHE ASP ARG ALA ASP ILE LEU TYR ASN ILE ARG GLN          
-SEQRES   2 R  211  THR SER ARG PRO ASP VAL ILE PRO THR GLN ARG ASP ARG          
-SEQRES   3 R  211  PRO VAL ALA VAL SER VAL SER LEU LYS PHE ILE ASN ILE          
-SEQRES   4 R  211  LEU GLU VAL ASN GLU ILE THR ASN GLU VAL ASP VAL VAL          
-SEQRES   5 R  211  PHE TRP GLN GLN THR THR TRP SER ASP ARG THR LEU ALA          
-SEQRES   6 R  211  TRP ASN SER SER HIS SER PRO ASP GLN VAL SER VAL PRO          
-SEQRES   7 R  211  ILE SER SER LEU TRP VAL PRO ASP LEU ALA ALA TYR ASN          
-SEQRES   8 R  211  ALA ILE SER LYS PRO GLU VAL LEU THR PRO GLN LEU ALA          
-SEQRES   9 R  211  ARG VAL VAL SER ASP GLY GLU VAL LEU TYR MET PRO SER          
-SEQRES  10 R  211  ILE ARG GLN ARG PHE SER CYS ASP VAL SER GLY VAL ASP          
-SEQRES  11 R  211  THR GLU SER GLY ALA THR CYS ARG ILE LYS ILE GLY SER          
-SEQRES  12 R  211  TRP THR HIS HIS SER ARG GLU ILE SER VAL ASP PRO THR          
-SEQRES  13 R  211  THR GLU ASN SER ASP ASP SER GLU TYR PHE SER GLN TYR          
-SEQRES  14 R  211  SER ARG PHE GLU ILE LEU ASP VAL THR GLN LYS LYS ASN          
-SEQRES  15 R  211  SER VAL THR TYR SER CYS CYS PRO GLU ALA TYR GLU ASP          
-SEQRES  16 R  211  VAL GLU VAL SER LEU ASN PHE ARG LYS LYS GLY ARG SER          
-SEQRES  17 R  211  GLU ILE LEU                                                  
-SEQRES   1 S  211  GLU PHE ASP ARG ALA ASP ILE LEU TYR ASN ILE ARG GLN          
-SEQRES   2 S  211  THR SER ARG PRO ASP VAL ILE PRO THR GLN ARG ASP ARG          
-SEQRES   3 S  211  PRO VAL ALA VAL SER VAL SER LEU LYS PHE ILE ASN ILE          
-SEQRES   4 S  211  LEU GLU VAL ASN GLU ILE THR ASN GLU VAL ASP VAL VAL          
-SEQRES   5 S  211  PHE TRP GLN GLN THR THR TRP SER ASP ARG THR LEU ALA          
-SEQRES   6 S  211  TRP ASN SER SER HIS SER PRO ASP GLN VAL SER VAL PRO          
-SEQRES   7 S  211  ILE SER SER LEU TRP VAL PRO ASP LEU ALA ALA TYR ASN          
-SEQRES   8 S  211  ALA ILE SER LYS PRO GLU VAL LEU THR PRO GLN LEU ALA          
-SEQRES   9 S  211  ARG VAL VAL SER ASP GLY GLU VAL LEU TYR MET PRO SER          
-SEQRES  10 S  211  ILE ARG GLN ARG PHE SER CYS ASP VAL SER GLY VAL ASP          
-SEQRES  11 S  211  THR GLU SER GLY ALA THR CYS ARG ILE LYS ILE GLY SER          
-SEQRES  12 S  211  TRP THR HIS HIS SER ARG GLU ILE SER VAL ASP PRO THR          
-SEQRES  13 S  211  THR GLU ASN SER ASP ASP SER GLU TYR PHE SER GLN TYR          
-SEQRES  14 S  211  SER ARG PHE GLU ILE LEU ASP VAL THR GLN LYS LYS ASN          
-SEQRES  15 S  211  SER VAL THR TYR SER CYS CYS PRO GLU ALA TYR GLU ASP          
-SEQRES  16 S  211  VAL GLU VAL SER LEU ASN PHE ARG LYS LYS GLY ARG SER          
-SEQRES  17 S  211  GLU ILE LEU                                                  
-SEQRES   1 T  211  GLU PHE ASP ARG ALA ASP ILE LEU TYR ASN ILE ARG GLN          
-SEQRES   2 T  211  THR SER ARG PRO ASP VAL ILE PRO THR GLN ARG ASP ARG          
-SEQRES   3 T  211  PRO VAL ALA VAL SER VAL SER LEU LYS PHE ILE ASN ILE          
-SEQRES   4 T  211  LEU GLU VAL ASN GLU ILE THR ASN GLU VAL ASP VAL VAL          
-SEQRES   5 T  211  PHE TRP GLN GLN THR THR TRP SER ASP ARG THR LEU ALA          
-SEQRES   6 T  211  TRP ASN SER SER HIS SER PRO ASP GLN VAL SER VAL PRO          
-SEQRES   7 T  211  ILE SER SER LEU TRP VAL PRO ASP LEU ALA ALA TYR ASN          
-SEQRES   8 T  211  ALA ILE SER LYS PRO GLU VAL LEU THR PRO GLN LEU ALA          
-SEQRES   9 T  211  ARG VAL VAL SER ASP GLY GLU VAL LEU TYR MET PRO SER          
-SEQRES  10 T  211  ILE ARG GLN ARG PHE SER CYS ASP VAL SER GLY VAL ASP          
-SEQRES  11 T  211  THR GLU SER GLY ALA THR CYS ARG ILE LYS ILE GLY SER          
-SEQRES  12 T  211  TRP THR HIS HIS SER ARG GLU ILE SER VAL ASP PRO THR          
-SEQRES  13 T  211  THR GLU ASN SER ASP ASP SER GLU TYR PHE SER GLN TYR          
-SEQRES  14 T  211  SER ARG PHE GLU ILE LEU ASP VAL THR GLN LYS LYS ASN          
-SEQRES  15 T  211  SER VAL THR TYR SER CYS CYS PRO GLU ALA TYR GLU ASP          
-SEQRES  16 T  211  VAL GLU VAL SER LEU ASN PHE ARG LYS LYS GLY ARG SER          
-SEQRES  17 T  211  GLU ILE LEU                                                  
-HET    NCT  A1208      12                                                       
-HET    NCT  B1206      12                                                       
-HET    NCT  C1206      12                                                       
-HET    NCT  D1208      12                                                       
-HET    NCT  E1206      12                                                       
-HET    NCT  F1208      12                                                       
-HET    NCT  G1206      12                                                       
-HET    NCT  H1206      12                                                       
-HET    NCT  I1206      12                                                       
-HET    NCT  J1206      12                                                       
-HET    NCT  K1206      12                                                       
-HET    NCT  L1206      12                                                       
-HET    NCT  M1208      12                                                       
-HET    NCT  N1208      12                                                       
-HET    NCT  O1206      12                                                       
-HET    NCT  P1206      12                                                       
-HET    NCT  Q1206      12                                                       
-HET    NCT  R1208      12                                                       
-HET    NCT  S1206      12                                                       
-HET    NCT  T1208      12                                                       
-HETNAM     NCT (S)-3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINE                          
-FORMUL  21  NCT    20(C10 H14 N2)                                               
-FORMUL  41  HOH   *1469(H2 O1)                                                  
-HELIX    1   1 ASP A    2  SER A   14  1                                  13    
-HELIX    2   2 ARG A   61  ALA A   64  5                                   4    
-HELIX    3   3 SER A   79  LEU A   81  5                                   3    
-HELIX    4   4 ASP B    2  SER B   14  1                                  13    
-HELIX    5   5 ARG B   61  ALA B   64  5                                   4    
-HELIX    6   6 SER B   79  LEU B   81  5                                   3    
-HELIX    7   7 ASP C    2  THR C   13  1                                  12    
-HELIX    8   8 ARG C   61  ALA C   64  5                                   4    
-HELIX    9   9 SER C   79  LEU C   81  5                                   3    
-HELIX   10  10 ASP D    2  SER D   14  1                                  13    
-HELIX   11  11 ARG D   61  ALA D   64  5                                   4    
-HELIX   12  12 SER D   79  LEU D   81  5                                   3    
-HELIX   13  13 ASP E    2  SER E   14  1                                  13    
-HELIX   14  14 ARG E   61  ALA E   64  5                                   4    
-HELIX   15  15 SER E   79  LEU E   81  5                                   3    
-HELIX   16  16 ASP F    2  THR F   13  1                                  12    
-HELIX   17  17 ARG F   61  ALA F   64  5                                   4    
-HELIX   18  18 SER F   79  LEU F   81  5                                   3    
-HELIX   19  19 ASP F  160  PHE F  165  5                                   6    
-HELIX   20  20 ASP G    2  SER G   14  1                                  13    
-HELIX   21  21 ARG G   61  ALA G   64  5                                   4    
-HELIX   22  22 SER G   79  LEU G   81  5                                   3    
-HELIX   23  23 ASP H    2  SER H   14  1                                  13    
-HELIX   24  24 ARG H   61  ALA H   64  5                                   4    
-HELIX   25  25 SER H   79  LEU H   81  5                                   3    
-HELIX   26  26 ASP I    2  SER I   14  1                                  13    
-HELIX   27  27 ARG I   61  ALA I   64  5                                   4    
-HELIX   28  28 SER I   79  LEU I   81  5                                   3    
-HELIX   29  29 ASP J    2  THR J   13  1                                  12    
-HELIX   30  30 ARG J   61  ALA J   64  5                                   4    
-HELIX   31  31 SER J   79  LEU J   81  5                                   3    
-HELIX   32  32 ASP K    2  SER K   14  1                                  13    
-HELIX   33  33 ARG K   61  ALA K   64  5                                   4    
-HELIX   34  34 SER K   79  LEU K   81  5                                   3    
-HELIX   35  35 ASP L    2  SER L   14  1                                  13    
-HELIX   36  36 ARG L   61  ALA L   64  5                                   4    
-HELIX   37  37 SER L   79  LEU L   81  5                                   3    
-HELIX   38  38 ASP M    2  SER M   14  1                                  13    
-HELIX   39  39 ARG M   61  ALA M   64  5                                   4    
-HELIX   40  40 SER M   79  LEU M   81  5                                   3    
-HELIX   41  41 ASP M  160  TYR M  164  5                                   5    
-HELIX   42  42 ASP N    2  SER N   14  1                                  13    
-HELIX   43  43 ARG N   61  ALA N   64  5                                   4    
-HELIX   44  44 SER N   79  LEU N   81  5                                   3    
-HELIX   45  45 ASP O    2  THR O   13  1                                  12    
-HELIX   46  46 ARG O   61  ALA O   64  5                                   4    
-HELIX   47  47 SER O   79  LEU O   81  5                                   3    
-HELIX   48  48 ASP P    2  THR P   13  1                                  12    
-HELIX   49  49 ARG P   61  ALA P   64  5                                   4    
-HELIX   50  50 SER P   79  LEU P   81  5                                   3    
-HELIX   51  51 ASP Q    2  SER Q   14  1                                  13    
-HELIX   52  52 ARG Q   61  ALA Q   64  5                                   4    
-HELIX   53  53 SER Q   79  LEU Q   81  5                                   3    
-HELIX   54  54 ASP R    2  SER R   14  1                                  13    
-HELIX   55  55 ARG R   61  ALA R   64  5                                   4    
-HELIX   56  56 SER R   79  LEU R   81  5                                   3    
-HELIX   57  57 ASP S    2  SER S   14  1                                  13    
-HELIX   58  58 ARG S   61  ALA S   64  5                                   4    
-HELIX   59  59 SER S   79  LEU S   81  5                                   3    
-HELIX   60  60 ASP T    2  SER T   14  1                                  13    
-HELIX   61  61 ARG T   61  ALA T   64  5                                   4    
-HELIX   62  62 SER T   79  LEU T   81  5                                   3    
-HELIX   63  63 ASP T  160  PHE T  165  5                                   6    
-SHEET    1  AA 6 GLN A  73  PRO A  77  0                                        
-SHEET    2  AA 6 LEU A 102  VAL A 106 -1  O  ALA A 103   N  VAL A  76           
-SHEET    3  AA 6 GLU A 110  TYR A 113 -1  O  GLU A 110   N  VAL A 106           
-SHEET    4  AA 6 GLU A  47  SER A  59 -1  O  THR A  56   N  TYR A 113           
-SHEET    5  AA 6 VAL A  27  ASN A  42 -1  O  ALA A  28   N  SER A  59           
-SHEET    6  AA 6 ILE A 150  PRO A 154  1  O  SER A 151   N  VAL A  29           
-SHEET    1  AB 6 GLN A  73  PRO A  77  0                                        
-SHEET    2  AB 6 LEU A 102  VAL A 106 -1  O  ALA A 103   N  VAL A  76           
-SHEET    3  AB 6 GLU A 110  TYR A 113 -1  O  GLU A 110   N  VAL A 106           
-SHEET    4  AB 6 GLU A  47  SER A  59 -1  O  THR A  56   N  TYR A 113           
-SHEET    5  AB 6 SER A 116  SER A 122 -1  O  ILE A 117   N  PHE A  52           
-SHEET    6  AB 6 GLU A  96  VAL A  97 -1  O  GLU A  96   N  ARG A 118           
-SHEET    1  AC 4 LEU A  86  ALA A  88  0                                        
-SHEET    2  AC 4 ALA A 134  SER A 142 -1  O  GLY A 141   N  ALA A  87           
-SHEET    3  AC 4 ALA A 191  LYS A 203 -1  O  GLU A 193   N  SER A 142           
-SHEET    4  AC 4 PHE A 171  THR A 184 -1  O  GLU A 172   N  ARG A 202           
-SHEET    1  BA 6 GLN B  73  PRO B  77  0                                        
-SHEET    2  BA 6 LEU B 102  VAL B 106 -1  O  ALA B 103   N  VAL B  76           
-SHEET    3  BA 6 GLU B 110  TYR B 113 -1  O  GLU B 110   N  VAL B 106           
-SHEET    4  BA 6 GLU B  47  SER B  59 -1  O  THR B  56   N  TYR B 113           
-SHEET    5  BA 6 VAL B  27  ASN B  42 -1  O  SER B  30   N  THR B  57           
-SHEET    6  BA 6 ILE B 150  PRO B 154  1  O  SER B 151   N  VAL B  29           
-SHEET    1  BB 6 GLN B  73  PRO B  77  0                                        
-SHEET    2  BB 6 LEU B 102  VAL B 106 -1  O  ALA B 103   N  VAL B  76           
-SHEET    3  BB 6 GLU B 110  TYR B 113 -1  O  GLU B 110   N  VAL B 106           
-SHEET    4  BB 6 GLU B  47  SER B  59 -1  O  THR B  56   N  TYR B 113           
-SHEET    5  BB 6 SER B 116  SER B 122 -1  O  ILE B 117   N  PHE B  52           
-SHEET    6  BB 6 GLU B  96  VAL B  97 -1  O  GLU B  96   N  ARG B 118           
-SHEET    1  BC 4 LEU B  86  ALA B  88  0                                        
-SHEET    2  BC 4 ALA B 134  SER B 142 -1  O  GLY B 141   N  ALA B  87           
-SHEET    3  BC 4 CYS B 188  LYS B 203 -1  O  GLU B 193   N  SER B 142           
-SHEET    4  BC 4 PHE B 171  TYR B 185 -1  O  GLU B 172   N  ARG B 202           
-SHEET    1  CA 6 GLN C  73  PRO C  77  0                                        
-SHEET    2  CA 6 LEU C 102  VAL C 106 -1  O  ALA C 103   N  VAL C  76           
-SHEET    3  CA 6 GLU C 110  TYR C 113 -1  O  GLU C 110   N  VAL C 106           
-SHEET    4  CA 6 GLU C  47  SER C  59 -1  O  THR C  56   N  TYR C 113           
-SHEET    5  CA 6 VAL C  27  ASN C  42 -1  O  SER C  30   N  THR C  57           
-SHEET    6  CA 6 ILE C 150  PRO C 154  1  O  SER C 151   N  VAL C  29           
-SHEET    1  CB 6 GLN C  73  PRO C  77  0                                        
-SHEET    2  CB 6 LEU C 102  VAL C 106 -1  O  ALA C 103   N  VAL C  76           
-SHEET    3  CB 6 GLU C 110  TYR C 113 -1  O  GLU C 110   N  VAL C 106           
-SHEET    4  CB 6 GLU C  47  SER C  59 -1  O  THR C  56   N  TYR C 113           
-SHEET    5  CB 6 SER C 116  SER C 122 -1  O  ILE C 117   N  PHE C  52           
-SHEET    6  CB 6 GLU C  96  VAL C  97 -1  O  GLU C  96   N  ARG C 118           
-SHEET    1  CC 4 LEU C  86  ALA C  88  0                                        
-SHEET    2  CC 4 ALA C 134  SER C 142 -1  O  GLY C 141   N  ALA C  87           
-SHEET    3  CC 4 ALA C 191  LYS C 203 -1  O  GLU C 193   N  SER C 142           
-SHEET    4  CC 4 PHE C 171  THR C 184 -1  O  GLU C 172   N  ARG C 202           
-SHEET    1  DA10 GLN D  73  PRO D  77  0                                        
-SHEET    2  DA10 LEU D 102  VAL D 106 -1  O  ALA D 103   N  VAL D  76           
-SHEET    3  DA10 GLU D 110  TYR D 113 -1  O  GLU D 110   N  VAL D 106           
-SHEET    4  DA10 GLU D  47  SER D  59 -1  O  THR D  56   N  TYR D 113           
-SHEET    5  DA10 GLU D  96  VAL D  97                                           
-SHEET    6  DA10 SER D 116  SER D 122 -1  O  ARG D 118   N  GLU D  96           
-SHEET    7  DA10 GLU D  47  SER D  59 -1  O  VAL D  48   N  PHE D 121           
-SHEET    8  DA10 ILE D 150  ASP D 153                                           
-SHEET    9  DA10 VAL D  27  ASN D  42  1  O  VAL D  27   N  SER D 151           
-SHEET   10  DA10 GLU D  47  SER D  59 -1  O  GLU D  47   N  ASN D  42           
-SHEET    1  DB 4 LEU D  86  ALA D  88  0                                        
-SHEET    2  DB 4 ALA D 134  SER D 142 -1  O  GLY D 141   N  ALA D  87           
-SHEET    3  DB 4 ALA D 191  LYS D 203 -1  O  GLU D 193   N  SER D 142           
-SHEET    4  DB 4 PHE D 171  THR D 184 -1  O  GLU D 172   N  ARG D 202           
-SHEET    1  EA10 GLN E  73  PRO E  77  0                                        
-SHEET    2  EA10 LEU E 102  VAL E 106 -1  O  ALA E 103   N  VAL E  76           
-SHEET    3  EA10 GLU E 110  TYR E 113 -1  O  GLU E 110   N  VAL E 106           
-SHEET    4  EA10 GLU E  47  SER E  59 -1  O  THR E  56   N  TYR E 113           
-SHEET    5  EA10 GLU E  96  VAL E  97                                           
-SHEET    6  EA10 SER E 116  SER E 122 -1  O  ARG E 118   N  GLU E  96           
-SHEET    7  EA10 GLU E  47  SER E  59 -1  O  VAL E  48   N  PHE E 121           
-SHEET    8  EA10 ILE E 150  ASP E 153                                           
-SHEET    9  EA10 VAL E  27  ASN E  42  1  O  VAL E  27   N  SER E 151           
-SHEET   10  EA10 GLU E  47  SER E  59 -1  O  GLU E  47   N  ASN E  42           
-SHEET    1  EB 4 LEU E  86  ALA E  88  0                                        
-SHEET    2  EB 4 ALA E 134  SER E 142 -1  O  GLY E 141   N  ALA E  87           
-SHEET    3  EB 4 ALA E 191  LYS E 203 -1  O  GLU E 193   N  SER E 142           
-SHEET    4  EB 4 PHE E 171  THR E 184 -1  O  GLU E 172   N  ARG E 202           
-SHEET    1  FA10 GLN F  73  PRO F  77  0                                        
-SHEET    2  FA10 LEU F 102  VAL F 106 -1  O  ALA F 103   N  VAL F  76           
-SHEET    3  FA10 GLU F 110  TYR F 113 -1  O  GLU F 110   N  VAL F 106           
-SHEET    4  FA10 GLU F  47  SER F  59 -1  O  THR F  56   N  TYR F 113           
-SHEET    5  FA10 GLU F  96  VAL F  97                                           
-SHEET    6  FA10 SER F 116  SER F 122 -1  O  ARG F 118   N  GLU F  96           
-SHEET    7  FA10 GLU F  47  SER F  59 -1  O  VAL F  48   N  PHE F 121           
-SHEET    8  FA10 ILE F 150  PRO F 154                                           
-SHEET    9  FA10 VAL F  27  ASN F  42  1  O  VAL F  27   N  SER F 151           
-SHEET   10  FA10 GLU F  47  SER F  59 -1  O  GLU F  47   N  ASN F  42           
-SHEET    1  FB 4 LEU F  86  ALA F  88  0                                        
-SHEET    2  FB 4 ALA F 134  SER F 142 -1  O  GLY F 141   N  ALA F  87           
-SHEET    3  FB 4 ALA F 191  LYS F 203 -1  O  GLU F 193   N  SER F 142           
-SHEET    4  FB 4 PHE F 171  THR F 184 -1  O  GLU F 172   N  ARG F 202           
-SHEET    1  GA10 GLN G  73  PRO G  77  0                                        
-SHEET    2  GA10 LEU G 102  VAL G 106 -1  O  ALA G 103   N  VAL G  76           
-SHEET    3  GA10 GLU G 110  TYR G 113 -1  O  GLU G 110   N  VAL G 106           
-SHEET    4  GA10 GLU G  47  SER G  59 -1  O  THR G  56   N  TYR G 113           
-SHEET    5  GA10 GLU G  96  VAL G  97                                           
-SHEET    6  GA10 SER G 116  SER G 122 -1  O  ARG G 118   N  GLU G  96           
-SHEET    7  GA10 GLU G  47  SER G  59 -1  O  VAL G  48   N  PHE G 121           
-SHEET    8  GA10 ILE G 150  PRO G 154                                           
-SHEET    9  GA10 VAL G  27  ASN G  42  1  O  VAL G  27   N  SER G 151           
-SHEET   10  GA10 GLU G  47  SER G  59 -1  O  GLU G  47   N  ASN G  42           
-SHEET    1  GB 4 LEU G  86  ALA G  88  0                                        
-SHEET    2  GB 4 ALA G 134  SER G 142 -1  O  GLY G 141   N  ALA G  87           
-SHEET    3  GB 4 ALA G 191  LYS G 203 -1  O  GLU G 193   N  SER G 142           
-SHEET    4  GB 4 PHE G 171  THR G 184 -1  O  GLU G 172   N  ARG G 202           
-SHEET    1  HA10 GLN H  73  PRO H  77  0                                        
-SHEET    2  HA10 LEU H 102  VAL H 106 -1  O  ALA H 103   N  VAL H  76           
-SHEET    3  HA10 GLU H 110  TYR H 113 -1  O  GLU H 110   N  VAL H 106           
-SHEET    4  HA10 GLU H  47  SER H  59 -1  O  THR H  56   N  TYR H 113           
-SHEET    5  HA10 GLU H  96  VAL H  97                                           
-SHEET    6  HA10 SER H 116  SER H 122 -1  O  ARG H 118   N  GLU H  96           
-SHEET    7  HA10 GLU H  47  SER H  59 -1  O  VAL H  48   N  PHE H 121           
-SHEET    8  HA10 ILE H 150  PRO H 154                                           
-SHEET    9  HA10 VAL H  27  ASN H  42  1  O  VAL H  27   N  SER H 151           
-SHEET   10  HA10 GLU H  47  SER H  59 -1  O  GLU H  47   N  ASN H  42           
-SHEET    1  HB 4 LEU H  86  ALA H  88  0                                        
-SHEET    2  HB 4 ALA H 134  SER H 142 -1  O  GLY H 141   N  ALA H  87           
-SHEET    3  HB 4 ALA H 191  LYS H 203 -1  O  GLU H 193   N  SER H 142           
-SHEET    4  HB 4 PHE H 171  THR H 184 -1  O  GLU H 172   N  ARG H 202           
-SHEET    1  IA10 GLN I  73  PRO I  77  0                                        
-SHEET    2  IA10 LEU I 102  VAL I 106 -1  O  ALA I 103   N  VAL I  76           
-SHEET    3  IA10 GLU I 110  TYR I 113 -1  O  GLU I 110   N  VAL I 106           
-SHEET    4  IA10 GLU I  47  SER I  59 -1  O  THR I  56   N  TYR I 113           
-SHEET    5  IA10 GLU I  96  VAL I  97                                           
-SHEET    6  IA10 SER I 116  SER I 122 -1  O  ARG I 118   N  GLU I  96           
-SHEET    7  IA10 GLU I  47  SER I  59 -1  O  VAL I  48   N  PHE I 121           
-SHEET    8  IA10 ILE I 150  PRO I 154                                           
-SHEET    9  IA10 VAL I  27  ASN I  42  1  O  VAL I  27   N  SER I 151           
-SHEET   10  IA10 GLU I  47  SER I  59 -1  O  GLU I  47   N  ASN I  42           
-SHEET    1  IB 4 LEU I  86  ALA I  88  0                                        
-SHEET    2  IB 4 ALA I 134  SER I 142 -1  O  GLY I 141   N  ALA I  87           
-SHEET    3  IB 4 ALA I 191  LYS I 203 -1  O  GLU I 193   N  SER I 142           
-SHEET    4  IB 4 PHE I 171  THR I 184 -1  O  GLU I 172   N  ARG I 202           
-SHEET    1  JA10 GLN J  73  PRO J  77  0                                        
-SHEET    2  JA10 LEU J 102  VAL J 106 -1  O  ALA J 103   N  VAL J  76           
-SHEET    3  JA10 GLU J 110  TYR J 113 -1  O  GLU J 110   N  VAL J 106           
-SHEET    4  JA10 GLU J  47  SER J  59 -1  O  THR J  56   N  TYR J 113           
-SHEET    5  JA10 GLU J  96  VAL J  97                                           
-SHEET    6  JA10 SER J 116  SER J 122 -1  O  ARG J 118   N  GLU J  96           
-SHEET    7  JA10 GLU J  47  SER J  59 -1  O  VAL J  48   N  PHE J 121           
-SHEET    8  JA10 ILE J 150  PRO J 154                                           
-SHEET    9  JA10 VAL J  27  ASN J  42  1  O  VAL J  27   N  SER J 151           
-SHEET   10  JA10 GLU J  47  SER J  59 -1  O  GLU J  47   N  ASN J  42           
-SHEET    1  JB 4 LEU J  86  ALA J  88  0                                        
-SHEET    2  JB 4 ALA J 134  SER J 142 -1  O  GLY J 141   N  ALA J  87           
-SHEET    3  JB 4 ALA J 191  LYS J 203 -1  O  GLU J 193   N  SER J 142           
-SHEET    4  JB 4 PHE J 171  THR J 184 -1  O  GLU J 172   N  ARG J 202           
-SHEET    1  KA10 GLN K  73  PRO K  77  0                                        
-SHEET    2  KA10 LEU K 102  VAL K 106 -1  O  ALA K 103   N  VAL K  76           
-SHEET    3  KA10 GLU K 110  TYR K 113 -1  O  GLU K 110   N  VAL K 106           
-SHEET    4  KA10 GLU K  47  SER K  59 -1  O  THR K  56   N  TYR K 113           
-SHEET    5  KA10 GLU K  96  VAL K  97                                           
-SHEET    6  KA10 SER K 116  SER K 122 -1  O  ARG K 118   N  GLU K  96           
-SHEET    7  KA10 GLU K  47  SER K  59 -1  O  VAL K  48   N  PHE K 121           
-SHEET    8  KA10 ILE K 150  PRO K 154                                           
-SHEET    9  KA10 VAL K  27  ASN K  42  1  O  VAL K  27   N  SER K 151           
-SHEET   10  KA10 GLU K  47  SER K  59 -1  O  GLU K  47   N  ASN K  42           
-SHEET    1  KB 4 LEU K  86  ALA K  88  0                                        
-SHEET    2  KB 4 ALA K 134  SER K 142 -1  O  GLY K 141   N  ALA K  87           
-SHEET    3  KB 4 ALA K 191  LYS K 203 -1  O  GLU K 193   N  SER K 142           
-SHEET    4  KB 4 PHE K 171  THR K 184 -1  O  GLU K 172   N  ARG K 202           
-SHEET    1  LA10 GLN L  73  PRO L  77  0                                        
-SHEET    2  LA10 LEU L 102  VAL L 106 -1  O  ALA L 103   N  VAL L  76           
-SHEET    3  LA10 GLU L 110  TYR L 113 -1  O  GLU L 110   N  VAL L 106           
-SHEET    4  LA10 GLU L  47  SER L  59 -1  O  THR L  56   N  TYR L 113           
-SHEET    5  LA10 GLU L  96  VAL L  97                                           
-SHEET    6  LA10 SER L 116  SER L 122 -1  O  ARG L 118   N  GLU L  96           
-SHEET    7  LA10 GLU L  47  SER L  59 -1  O  VAL L  48   N  PHE L 121           
-SHEET    8  LA10 ILE L 150  PRO L 154                                           
-SHEET    9  LA10 VAL L  27  ASN L  42  1  O  VAL L  27   N  SER L 151           
-SHEET   10  LA10 GLU L  47  SER L  59 -1  O  GLU L  47   N  ASN L  42           
-SHEET    1  LB 4 LEU L  86  ALA L  88  0                                        
-SHEET    2  LB 4 ALA L 134  SER L 142 -1  O  GLY L 141   N  ALA L  87           
-SHEET    3  LB 4 ALA L 191  LYS L 203 -1  O  GLU L 193   N  SER L 142           
-SHEET    4  LB 4 PHE L 171  THR L 184 -1  O  GLU L 172   N  ARG L 202           
-SHEET    1  MA10 GLN M  73  PRO M  77  0                                        
-SHEET    2  MA10 LEU M 102  VAL M 106 -1  O  ALA M 103   N  VAL M  76           
-SHEET    3  MA10 GLU M 110  TYR M 113 -1  O  GLU M 110   N  VAL M 106           
-SHEET    4  MA10 GLU M  47  SER M  59 -1  O  THR M  56   N  TYR M 113           
-SHEET    5  MA10 GLU M  96  VAL M  97                                           
-SHEET    6  MA10 SER M 116  SER M 122 -1  O  ARG M 118   N  GLU M  96           
-SHEET    7  MA10 GLU M  47  SER M  59 -1  O  VAL M  48   N  PHE M 121           
-SHEET    8  MA10 ILE M 150  PRO M 154                                           
-SHEET    9  MA10 VAL M  27  ASN M  42  1  O  VAL M  27   N  SER M 151           
-SHEET   10  MA10 GLU M  47  SER M  59 -1  O  GLU M  47   N  ASN M  42           
-SHEET    1  MB 4 LEU M  86  ALA M  88  0                                        
-SHEET    2  MB 4 ALA M 134  SER M 142 -1  O  GLY M 141   N  ALA M  87           
-SHEET    3  MB 4 CYS M 188  LYS M 203 -1  O  GLU M 193   N  SER M 142           
-SHEET    4  MB 4 PHE M 171  TYR M 185 -1  O  GLU M 172   N  ARG M 202           
-SHEET    1  NA10 GLN N  73  PRO N  77  0                                        
-SHEET    2  NA10 LEU N 102  VAL N 106 -1  O  ALA N 103   N  VAL N  76           
-SHEET    3  NA10 GLU N 110  TYR N 113 -1  O  GLU N 110   N  VAL N 106           
-SHEET    4  NA10 GLU N  47  SER N  59 -1  O  THR N  56   N  TYR N 113           
-SHEET    5  NA10 GLU N  96  VAL N  97                                           
-SHEET    6  NA10 SER N 116  SER N 122 -1  O  ARG N 118   N  GLU N  96           
-SHEET    7  NA10 GLU N  47  SER N  59 -1  O  VAL N  48   N  PHE N 121           
-SHEET    8  NA10 ILE N 150  PRO N 154                                           
-SHEET    9  NA10 VAL N  27  ASN N  42  1  O  VAL N  27   N  SER N 151           
-SHEET   10  NA10 GLU N  47  SER N  59 -1  O  GLU N  47   N  ASN N  42           
-SHEET    1  NB 4 LEU N  86  ALA N  88  0                                        
-SHEET    2  NB 4 ALA N 134  SER N 142 -1  O  GLY N 141   N  ALA N  87           
-SHEET    3  NB 4 ALA N 191  LYS N 203 -1  O  GLU N 193   N  SER N 142           
-SHEET    4  NB 4 PHE N 171  THR N 184 -1  O  GLU N 172   N  ARG N 202           
-SHEET    1  OA10 GLN O  73  PRO O  77  0                                        
-SHEET    2  OA10 LEU O 102  VAL O 106 -1  O  ALA O 103   N  VAL O  76           
-SHEET    3  OA10 GLU O 110  TYR O 113 -1  O  GLU O 110   N  VAL O 106           
-SHEET    4  OA10 GLU O  47  SER O  59 -1  O  THR O  56   N  TYR O 113           
-SHEET    5  OA10 GLU O  96  VAL O  97                                           
-SHEET    6  OA10 SER O 116  SER O 122 -1  O  ARG O 118   N  GLU O  96           
-SHEET    7  OA10 GLU O  47  SER O  59 -1  O  VAL O  48   N  PHE O 121           
-SHEET    8  OA10 ILE O 150  PRO O 154                                           
-SHEET    9  OA10 VAL O  27  ASN O  42  1  O  VAL O  27   N  SER O 151           
-SHEET   10  OA10 GLU O  47  SER O  59 -1  O  GLU O  47   N  ASN O  42           
-SHEET    1  OB 4 LEU O  86  ALA O  88  0                                        
-SHEET    2  OB 4 ALA O 134  SER O 142 -1  O  GLY O 141   N  ALA O  87           
-SHEET    3  OB 4 ALA O 191  LYS O 203 -1  O  GLU O 193   N  SER O 142           
-SHEET    4  OB 4 PHE O 171  THR O 184 -1  O  GLU O 172   N  ARG O 202           
-SHEET    1  PA10 GLN P  73  PRO P  77  0                                        
-SHEET    2  PA10 LEU P 102  VAL P 106 -1  O  ALA P 103   N  VAL P  76           
-SHEET    3  PA10 GLU P 110  TYR P 113 -1  O  GLU P 110   N  VAL P 106           
-SHEET    4  PA10 GLU P  47  SER P  59 -1  O  THR P  56   N  TYR P 113           
-SHEET    5  PA10 GLU P  96  VAL P  97                                           
-SHEET    6  PA10 SER P 116  SER P 122 -1  O  ARG P 118   N  GLU P  96           
-SHEET    7  PA10 GLU P  47  SER P  59 -1  O  VAL P  48   N  PHE P 121           
-SHEET    8  PA10 ILE P 150  PRO P 154                                           
-SHEET    9  PA10 VAL P  27  ASN P  42  1  O  VAL P  27   N  SER P 151           
-SHEET   10  PA10 GLU P  47  SER P  59 -1  O  GLU P  47   N  ASN P  42           
-SHEET    1  PB 4 LEU P  86  ALA P  88  0                                        
-SHEET    2  PB 4 ALA P 134  SER P 142 -1  O  GLY P 141   N  ALA P  87           
-SHEET    3  PB 4 TYR P 192  LYS P 203 -1  O  GLU P 193   N  SER P 142           
-SHEET    4  PB 4 PHE P 171  VAL P 183 -1  O  GLU P 172   N  ARG P 202           
-SHEET    1  QA10 GLN Q  73  PRO Q  77  0                                        
-SHEET    2  QA10 LEU Q 102  VAL Q 106 -1  O  ALA Q 103   N  VAL Q  76           
-SHEET    3  QA10 GLU Q 110  TYR Q 113 -1  O  GLU Q 110   N  VAL Q 106           
-SHEET    4  QA10 GLU Q  47  SER Q  59 -1  O  THR Q  56   N  TYR Q 113           
-SHEET    5  QA10 GLU Q  96  VAL Q  97                                           
-SHEET    6  QA10 SER Q 116  SER Q 122 -1  O  ARG Q 118   N  GLU Q  96           
-SHEET    7  QA10 GLU Q  47  SER Q  59 -1  O  VAL Q  48   N  PHE Q 121           
-SHEET    8  QA10 ILE Q 150  PRO Q 154                                           
-SHEET    9  QA10 VAL Q  27  ASN Q  42  1  O  VAL Q  27   N  SER Q 151           
-SHEET   10  QA10 GLU Q  47  SER Q  59 -1  O  GLU Q  47   N  ASN Q  42           
-SHEET    1  QB 4 LEU Q  86  ALA Q  88  0                                        
-SHEET    2  QB 4 ALA Q 134  SER Q 142 -1  O  GLY Q 141   N  ALA Q  87           
-SHEET    3  QB 4 ALA Q 191  LYS Q 203 -1  O  GLU Q 193   N  SER Q 142           
-SHEET    4  QB 4 PHE Q 171  THR Q 184 -1  O  GLU Q 172   N  ARG Q 202           
-SHEET    1  RA10 GLN R  73  PRO R  77  0                                        
-SHEET    2  RA10 LEU R 102  VAL R 106 -1  O  ALA R 103   N  VAL R  76           
-SHEET    3  RA10 GLU R 110  TYR R 113 -1  O  GLU R 110   N  VAL R 106           
-SHEET    4  RA10 GLU R  47  SER R  59 -1  O  THR R  56   N  TYR R 113           
-SHEET    5  RA10 GLU R  96  VAL R  97                                           
-SHEET    6  RA10 SER R 116  SER R 122 -1  O  ARG R 118   N  GLU R  96           
-SHEET    7  RA10 GLU R  47  SER R  59 -1  O  VAL R  48   N  PHE R 121           
-SHEET    8  RA10 ILE R 150  PRO R 154                                           
-SHEET    9  RA10 VAL R  27  ASN R  42  1  O  VAL R  27   N  SER R 151           
-SHEET   10  RA10 GLU R  47  SER R  59 -1  O  GLU R  47   N  ASN R  42           
-SHEET    1  RB 4 LEU R  86  ALA R  88  0                                        
-SHEET    2  RB 4 ALA R 134  SER R 142 -1  O  GLY R 141   N  ALA R  87           
-SHEET    3  RB 4 ALA R 191  LYS R 203 -1  O  GLU R 193   N  SER R 142           
-SHEET    4  RB 4 PHE R 171  THR R 184 -1  O  GLU R 172   N  ARG R 202           
-SHEET    1  SA10 GLN S  73  PRO S  77  0                                        
-SHEET    2  SA10 LEU S 102  VAL S 106 -1  O  ALA S 103   N  VAL S  76           
-SHEET    3  SA10 GLU S 110  TYR S 113 -1  O  GLU S 110   N  VAL S 106           
-SHEET    4  SA10 GLU S  47  SER S  59 -1  O  THR S  56   N  TYR S 113           
-SHEET    5  SA10 GLU S  96  VAL S  97                                           
-SHEET    6  SA10 SER S 116  SER S 122 -1  O  ARG S 118   N  GLU S  96           
-SHEET    7  SA10 GLU S  47  SER S  59 -1  O  VAL S  48   N  PHE S 121           
-SHEET    8  SA10 ILE S 150  ASP S 153                                           
-SHEET    9  SA10 VAL S  27  ASN S  42  1  O  VAL S  27   N  SER S 151           
-SHEET   10  SA10 GLU S  47  SER S  59 -1  O  GLU S  47   N  ASN S  42           
-SHEET    1  SB 4 LEU S  86  ALA S  88  0                                        
-SHEET    2  SB 4 ALA S 134  SER S 142 -1  O  GLY S 141   N  ALA S  87           
-SHEET    3  SB 4 ALA S 191  LYS S 203 -1  O  GLU S 193   N  SER S 142           
-SHEET    4  SB 4 PHE S 171  THR S 184 -1  O  GLU S 172   N  ARG S 202           
-SHEET    1  TA10 GLN T  73  PRO T  77  0                                        
-SHEET    2  TA10 LEU T 102  VAL T 106 -1  O  ALA T 103   N  VAL T  76           
-SHEET    3  TA10 GLU T 110  TYR T 113 -1  O  GLU T 110   N  VAL T 106           
-SHEET    4  TA10 GLU T  47  SER T  59 -1  O  THR T  56   N  TYR T 113           
-SHEET    5  TA10 GLU T  96  VAL T  97                                           
-SHEET    6  TA10 SER T 116  SER T 122 -1  O  ARG T 118   N  GLU T  96           
-SHEET    7  TA10 GLU T  47  SER T  59 -1  O  VAL T  48   N  PHE T 121           
-SHEET    8  TA10 ILE T 150  PRO T 154                                           
-SHEET    9  TA10 VAL T  27  ASN T  42  1  O  VAL T  27   N  SER T 151           
-SHEET   10  TA10 GLU T  47  SER T  59 -1  O  GLU T  47   N  ASN T  42           
-SHEET    1  TB 4 LEU T  86  ALA T  88  0                                        
-SHEET    2  TB 4 ALA T 134  SER T 142 -1  O  GLY T 141   N  ALA T  87           
-SHEET    3  TB 4 ALA T 191  LYS T 203 -1  O  GLU T 193   N  SER T 142           
-SHEET    4  TB 4 PHE T 171  THR T 184 -1  O  GLU T 172   N  ARG T 202           
-SSBOND   1 CYS A  123    CYS A  136                          1555   1555  2.07  
-SSBOND   2 CYS A  187    CYS A  188                          1555   1555  2.09  
-SSBOND   3 CYS B  123    CYS B  136                          1555   1555  2.09  
-SSBOND   4 CYS B  187    CYS B  188                          1555   1555  2.10  
-SSBOND   5 CYS C  123    CYS C  136                          1555   1555  2.09  
-SSBOND   6 CYS C  187    CYS C  188                          1555   1555  2.06  
-SSBOND   7 CYS D  123    CYS D  136                          1555   1555  2.05  
-SSBOND   8 CYS D  187    CYS D  188                          1555   1555  2.08  
-SSBOND   9 CYS E  123    CYS E  136                          1555   1555  2.07  
-SSBOND  10 CYS E  187    CYS E  188                          1555   1555  2.05  
-SSBOND  11 CYS F  123    CYS F  136                          1555   1555  2.08  
-SSBOND  12 CYS F  187    CYS F  188                          1555   1555  2.09  
-SSBOND  13 CYS G  123    CYS G  136                          1555   1555  2.07  
-SSBOND  14 CYS G  187    CYS G  188                          1555   1555  2.07  
-SSBOND  15 CYS H  123    CYS H  136                          1555   1555  2.07  
-SSBOND  16 CYS H  187    CYS H  188                          1555   1555  2.07  
-SSBOND  17 CYS I  123    CYS I  136                          1555   1555  2.06  
-SSBOND  18 CYS I  187    CYS I  188                          1555   1555  2.12  
-SSBOND  19 CYS J  123    CYS J  136                          1555   1555  2.07  
-SSBOND  20 CYS J  187    CYS J  188                          1555   1555  2.08  
-SSBOND  21 CYS K  123    CYS K  136                          1555   1555  2.08  
-SSBOND  22 CYS K  187    CYS K  188                          1555   1555  2.07  
-SSBOND  23 CYS L  123    CYS L  136                          1555   1555  2.06  
-SSBOND  24 CYS L  187    CYS L  188                          1555   1555  2.06  
-SSBOND  25 CYS M  123    CYS M  136                          1555   1555  2.06  
-SSBOND  26 CYS M  187    CYS M  188                          1555   1555  2.10  
-SSBOND  27 CYS N  123    CYS N  136                          1555   1555  2.08  
-SSBOND  28 CYS N  187    CYS N  188                          1555   1555  2.10  
-SSBOND  29 CYS O  123    CYS O  136                          1555   1555  2.05  
-SSBOND  30 CYS O  187    CYS O  188                          1555   1555  2.08  
-SSBOND  31 CYS P  123    CYS P  136                          1555   1555  2.06  
-SSBOND  32 CYS P  187    CYS P  188                          1555   1555  2.10  
-SSBOND  33 CYS Q  123    CYS Q  136                          1555   1555  2.05  
-SSBOND  34 CYS Q  187    CYS Q  188                          1555   1555  2.10  
-SSBOND  35 CYS R  123    CYS R  136                          1555   1555  2.05  
-SSBOND  36 CYS R  187    CYS R  188                          1555   1555  2.08  
-SSBOND  37 CYS S  123    CYS S  136                          1555   1555  2.06  
-SSBOND  38 CYS S  187    CYS S  188                          1555   1555  2.07  
-SSBOND  39 CYS T  123    CYS T  136                          1555   1555  2.09  
-SSBOND  40 CYS T  187    CYS T  188                          1555   1555  2.05  
-SITE     1 AC1  6 TYR A  89  TRP A 143  TYR A 192  HOH A2090                    
-SITE     2 AC1  6 TRP B  53  MET B 114                                          
-SITE     1 AC2  6 TYR B  89  TRP B 143  CYS B 188  TYR B 192                    
-SITE     2 AC2  6 LEU C 112  HOH C2052                                          
-SITE     1 AC3  7 TYR C  89  TRP C 143  CYS C 188  TYR C 192                    
-SITE     2 AC3  7 HOH C2081  TRP D  53  MET D 114                               
-SITE     1 AC4  6 TYR D  89  TRP D 143  THR D 144  TYR D 192                    
-SITE     2 AC4  6 LEU E 112  HOH E2041                                          
-SITE     1 AC5  7 TRP A  53  LEU A 112  TYR E  89  TRP E 143                    
-SITE     2 AC5  7 CYS E 188  TYR E 192  HOH E2063                               
-SITE     1 AC6  6 TYR F  89  TRP F 143  CYS F 188  TYR F 192                    
-SITE     2 AC6  6 TRP G  53  HOH G2041                                          
-SITE     1 AC7  5 TYR G  89  TRP G 143  CYS G 188  TYR G 192                    
-SITE     2 AC7  5 TRP H  53                                                     
-SITE     1 AC8  8 TYR H  89  TRP H 143  TYR H 185  CYS H 188                    
-SITE     2 AC8  8 TYR H 192  LEU I 112  MET I 114  HOH I2040                    
-SITE     1 AC9  8 TYR I  89  TRP I 143  CYS I 188  TYR I 192                    
-SITE     2 AC9  8 HOH I2071  TRP J  53  LEU J 112  MET J 114                    
-SITE     1 BC1  7 LEU F 112  MET F 114  TYR J  89  TRP J 143                    
-SITE     2 BC1  7 THR J 144  TYR J 192  HOH J2070                               
-SITE     1 BC2  6 TYR K  89  TRP K 143  TYR K 192  HOH K2055                    
-SITE     2 BC2  6 TRP L  53  MET L 114                                          
-SITE     1 BC3  7 TYR L  89  TRP L 143  CYS L 187  TYR L 192                    
-SITE     2 BC3  7 HOH L2041  TRP M  53  MET M 114                               
-SITE     1 BC4  9 TYR M  89  TRP M 143  TYR M 185  CYS M 187                    
-SITE     2 BC4  9 CYS M 188  TYR M 192  LEU N 112  MET N 114                    
-SITE     3 BC4  9 HOH N2043                                                     
-SITE     1 BC5  8 TYR N  89  TRP N 143  CYS N 188  TYR N 192                    
-SITE     2 BC5  8 TRP O  53  LEU O 112  MET O 114  HOH O2038                    
-SITE     1 BC6  5 TYR O  89  TRP O 143  THR O 144  TYR O 192                    
-SITE     2 BC6  5 HOH O2071                                                     
-SITE     1 BC7  7 TYR P  89  TRP P 143  TYR P 192  HOH P2095                    
-SITE     2 BC7  7 TRP Q  53  LEU Q 112  MET Q 114                               
-SITE     1 BC8  6 TYR Q  89  TRP Q 143  THR Q 144  CYS Q 188                    
-SITE     2 BC8  6 TYR Q 192  HOH Q2075                                          
-SITE     1 BC9  6 TYR R  89  TRP R 143  TYR R 192  TRP S  53                    
-SITE     2 BC9  6 LEU S 112  HOH S2038                                          
-SITE     1 CC1  6 TYR S  89  TRP S 143  CYS S 188  TYR S 192                    
-SITE     2 CC1  6 HOH S2068  LEU T 112                                          
-SITE     1 CC2  6 TRP P  53  LEU P 112  HOH P2060  TYR T  89                    
-SITE     2 CC2  6 TRP T 143  TYR T 192                                          
-CRYST1  233.000  267.422   73.139  90.00  90.00  90.00 P 21 21 2    80          
-ORIGX1      1.000000  0.000000  0.000000        0.00000                         
-ORIGX2      0.000000  1.000000  0.000000        0.00000                         
-ORIGX3      0.000000  0.000000  1.000000        0.00000                         
-SCALE1      0.004292  0.000000  0.000000        0.00000                         
-SCALE2      0.000000  0.003739  0.000000        0.00000                         
-SCALE3      0.000000  0.000000  0.013672        0.00000                         
-MTRIX1   1  0.999000  0.036000 -0.017000       -3.38885    1                    
-MTRIX2   1  0.006000  0.300000  0.954000       55.19213    1                    
-MTRIX3   1  0.039000 -0.953000  0.300000       85.36037    1                    
-MTRIX1   2  0.998000  0.048000  0.031000       -4.46955    1                    
-MTRIX2   2  0.021000 -0.807000  0.590000      154.03006    1                    
-MTRIX3   2  0.054000 -0.588000 -0.807000       59.52009    1                    
-MTRIX1   3  0.998000  0.008000  0.055000       -0.98504    1                    
-MTRIX2   3  0.039000 -0.806000 -0.591000      160.04492    1                    
-MTRIX3   3  0.039000  0.592000 -0.805000      -43.40739    1                    
-MTRIX1   4  1.000000 -0.017000  0.017000        1.15079    1                    
-MTRIX2   4  0.021000  0.315000 -0.949000       64.88787    1                    
-MTRIX3   4  0.011000  0.949000  0.315000      -79.85012    1                    
-MTRIX1   5  1.000000 -0.002000  0.007000        0.38160    1                    
-MTRIX2   5  0.007000  0.615000 -0.789000      103.29865    1                    
-MTRIX3   5 -0.003000  0.789000  0.615000      -29.39178    1                    
-MTRIX1   6  1.000000  0.022000 -0.001000       -1.64371    1                    
-MTRIX2   6 -0.021000  0.941000  0.339000       69.33533    1                    
-MTRIX3   6  0.009000 -0.339000  0.941000       67.11072    1                    
-MTRIX1   7  0.999000  0.036000  0.022000       -2.97321    1                    
-MTRIX2   7 -0.020000 -0.037000  0.999000      151.13936    1                    
-MTRIX3   7  0.037000 -0.999000 -0.036000      129.27414    1                    
-MTRIX1   8  0.999000  0.018000  0.044000       -1.54382    1                    
-MTRIX2   8  0.006000 -0.965000  0.261000      235.29132    1                    
-MTRIX3   8  0.047000 -0.260000 -0.964000       69.18992    1                    
-MTRIX1   9  1.000000 -0.003000  0.028000        0.25321    1                    
-MTRIX2   9  0.022000 -0.566000 -0.824000      206.24313    1                    
-MTRIX3   9  0.019000  0.825000 -0.565000      -26.93529    1                    
-MTRIX1  10  0.999000  0.043000  0.019000       -4.09576    1                    
-MTRIX2  10 -0.010000 -0.217000  0.976000       32.31430    1                    
-MTRIX3  10  0.046000 -0.975000 -0.216000      113.92276    1                    
-MTRIX1  11  0.999000  0.015000  0.042000       -1.74565    1                    
-MTRIX2  11  0.010000 -0.995000  0.100000      105.29977    1                    
-MTRIX3  11  0.044000 -0.099000 -0.994000       41.98955    1                    
-MTRIX1  12  0.999000 -0.013000  0.032000        0.72234    1                    
-MTRIX2  12  0.024000 -0.381000 -0.924000       56.71478    1                    
-MTRIX3  12  0.024000  0.924000 -0.381000      -50.28660    1                    
-MTRIX1  13  1.000000  0.000000  0.004000       -0.23727    1                    
-MTRIX2  13  0.002000  0.757000 -0.653000      -43.69649    1                    
-MTRIX3  13 -0.003000  0.653000  0.757000      -31.87772    1                    
-MTRIX1  14  1.000000  0.023000 -0.007000       -2.25292    1                    
-MTRIX2  14 -0.016000  0.865000  0.502000      -59.50208    1                    
-MTRIX3  14  0.018000 -0.502000  0.865000       67.60023    1                    
-MTRIX1  15  0.999000  0.004000  0.044000       -0.52434    1                    
-MTRIX2  15  0.016000 -0.964000 -0.265000      306.81171    1                    
-MTRIX3  15  0.041000  0.266000 -0.963000       47.70136    1                    
-MTRIX1  16  1.000000 -0.016000  0.010000        1.33447    1                    
-MTRIX2  16  0.009000 -0.058000 -0.998000      232.44279    1                    
-MTRIX3  16  0.017000  0.998000 -0.057000      -21.13311    1                    
-MTRIX1  17  1.000000  0.009000 -0.009000       -0.60248    1                    
-MTRIX2  17 -0.011000  0.934000 -0.356000      142.60065    1                    
-MTRIX3  17  0.005000  0.357000  0.934000       29.89751    1                    
-MTRIX1  18  0.999000  0.044000 -0.006000       -3.88376    1                    
-MTRIX2  18 -0.023000  0.623000  0.782000      163.75378    1                    
-MTRIX3  18  0.038000 -0.781000  0.623000      129.58310    1                    
-MTRIX1  19  0.999000  0.040000  0.036000       -3.71114    1                    
-MTRIX2  19 -0.010000 -0.523000  0.852000      263.30035    1                    
-MTRIX3  19  0.052000 -0.851000 -0.522000      142.72557    1                    
-ATOM      1  N   GLU A   0      56.525 102.424 -21.123  1.00 21.77           N  
-ATOM      2  CA  GLU A   0      57.697 102.950 -20.361  1.00 22.63           C  
-ATOM      3  C   GLU A   0      57.859 102.450 -18.907  1.00 22.38           C  
-ATOM      4  O   GLU A   0      56.960 102.523 -18.080  1.00 22.39           O  
-ATOM      5  CB  GLU A   0      57.776 104.492 -20.438  1.00 22.32           C  
-ATOM      6  CG  GLU A   0      58.012 105.204 -19.110  1.00 24.46           C  
-ATOM      7  CD  GLU A   0      58.814 106.486 -19.262  1.00 27.74           C  
-ATOM      8  OE1 GLU A   0      58.178 107.577 -19.436  1.00 26.76           O  
-ATOM      9  OE2 GLU A   0      60.077 106.397 -19.211  1.00 27.17           O  
-ATOM     10  N   PHE A   1      59.037 101.927 -18.631  1.00 22.65           N  
-ATOM     11  CA  PHE A   1      59.474 101.603 -17.284  1.00 22.65           C  
-ATOM     12  C   PHE A   1      60.579 102.584 -16.954  1.00 21.88           C  
-ATOM     13  O   PHE A   1      61.337 102.955 -17.825  1.00 22.17           O  
-ATOM     14  CB  PHE A   1      60.082 100.203 -17.243  1.00 22.60           C  
-ATOM     15  CG  PHE A   1      59.181  99.128 -17.782  1.00 24.66           C  
-ATOM     16  CD1 PHE A   1      58.074  98.678 -17.044  1.00 26.25           C  
-ATOM     17  CD2 PHE A   1      59.442  98.557 -19.026  1.00 25.83           C  
-ATOM     18  CE1 PHE A   1      57.241  97.669 -17.536  1.00 27.91           C  
-ATOM     19  CE2 PHE A   1      58.620  97.544 -19.535  1.00 26.81           C  
-ATOM     20  CZ  PHE A   1      57.518  97.097 -18.786  1.00 28.25           C  
-ATOM     21  N   ASP A   2      60.694 102.993 -15.703  1.00 20.89           N  
-ATOM     22  CA  ASP A   2      61.906 103.686 -15.305  1.00 20.25           C  
-ATOM     23  C   ASP A   2      62.894 102.704 -14.654  1.00 19.42           C  
-ATOM     24  O   ASP A   2      62.609 101.500 -14.490  1.00 18.66           O  
-ATOM     25  CB  ASP A   2      61.609 104.909 -14.410  1.00 20.69           C  
-ATOM     26  CG  ASP A   2      60.949 104.548 -13.095  1.00 21.86           C  
-ATOM     27  OD1 ASP A   2      61.071 103.390 -12.626  1.00 22.77           O  
-ATOM     28  OD2 ASP A   2      60.280 105.382 -12.450  1.00 23.89           O  
-ATOM     29  N   ARG A   3      64.047 103.223 -14.266  1.00 18.49           N  
-ATOM     30  CA  ARG A   3      65.092 102.374 -13.704  1.00 17.96           C  
-ATOM     31  C   ARG A   3      64.614 101.626 -12.479  1.00 17.11           C  
-ATOM     32  O   ARG A   3      64.905 100.447 -12.328  1.00 16.97           O  
-ATOM     33  CB  ARG A   3      66.344 103.175 -13.360  1.00 17.85           C  
-ATOM     34  CG  ARG A   3      67.296 103.285 -14.513  1.00 18.78           C  
-ATOM     35  CD  ARG A   3      68.306 104.458 -14.398  1.00 19.51           C  
-ATOM     36  NE  ARG A   3      69.156 104.515 -15.581  1.00 21.82           N  
-ATOM     37  CZ  ARG A   3      68.993 105.363 -16.586  1.00 25.78           C  
-ATOM     38  NH1 ARG A   3      68.028 106.299 -16.568  1.00 27.43           N  
-ATOM     39  NH2 ARG A   3      69.818 105.303 -17.617  1.00 26.19           N  
-ATOM     40  N   ALA A   4      63.891 102.331 -11.615  1.00 16.11           N  
-ATOM     41  CA  ALA A   4      63.304 101.742 -10.415  1.00 15.77           C  
-ATOM     42  C   ALA A   4      62.413 100.541 -10.738  1.00 15.64           C  
-ATOM     43  O   ALA A   4      62.511  99.524 -10.070  1.00 14.99           O  
-ATOM     44  CB  ALA A   4      62.527 102.796  -9.604  1.00 15.39           C  
-ATOM     45  N   ASP A   5      61.553 100.674 -11.753  1.00 15.92           N  
-ATOM     46  CA  ASP A   5      60.668  99.578 -12.203  1.00 16.58           C  
-ATOM     47  C   ASP A   5      61.483  98.384 -12.728  1.00 15.78           C  
-ATOM     48  O   ASP A   5      61.243  97.225 -12.345  1.00 15.45           O  
-ATOM     49  CB  ASP A   5      59.714 100.074 -13.290  1.00 17.03           C  
-ATOM     50  CG  ASP A   5      58.764 101.159 -12.799  1.00 20.90           C  
-ATOM     51  OD1 ASP A   5      58.457 101.194 -11.588  1.00 24.31           O  
-ATOM     52  OD2 ASP A   5      58.254 102.031 -13.551  1.00 25.10           O  
-ATOM     53  N   ILE A   6      62.451  98.676 -13.591  1.00 14.93           N  
-ATOM     54  CA  ILE A   6      63.292  97.633 -14.165  1.00 14.85           C  
-ATOM     55  C   ILE A   6      63.957  96.836 -13.057  1.00 14.78           C  
-ATOM     56  O   ILE A   6      63.845  95.598 -13.011  1.00 13.88           O  
-ATOM     57  CB  ILE A   6      64.339  98.205 -15.178  1.00 14.80           C  
-ATOM     58  CG1 ILE A   6      63.621  98.791 -16.395  1.00 13.92           C  
-ATOM     59  CG2 ILE A   6      65.310  97.117 -15.660  1.00 13.90           C  
-ATOM     60  CD1 ILE A   6      64.451  99.794 -17.153  1.00 13.02           C  
-ATOM     61  N   LEU A   7      64.579  97.557 -12.129  1.00 14.84           N  
-ATOM     62  CA  LEU A   7      65.300  96.922 -11.035  1.00 15.80           C  
-ATOM     63  C   LEU A   7      64.401  96.164 -10.067  1.00 15.57           C  
-ATOM     64  O   LEU A   7      64.748  95.092  -9.625  1.00 14.82           O  
-ATOM     65  CB  LEU A   7      66.216  97.918 -10.306  1.00 16.03           C  
-ATOM     66  CG  LEU A   7      67.411  98.295 -11.163  1.00 17.84           C  
-ATOM     67  CD1 LEU A   7      67.964  99.697 -10.811  1.00 19.32           C  
-ATOM     68  CD2 LEU A   7      68.474  97.221 -11.020  1.00 19.49           C  
-ATOM     69  N   TYR A   8      63.242  96.724  -9.763  1.00 15.79           N  
-ATOM     70  CA  TYR A   8      62.260  96.029  -8.961  1.00 16.70           C  
-ATOM     71  C   TYR A   8      61.869  94.695  -9.628  1.00 16.49           C  
-ATOM     72  O   TYR A   8      61.911  93.607  -9.002  1.00 15.96           O  
-ATOM     73  CB  TYR A   8      61.030  96.919  -8.784  1.00 17.55           C  
-ATOM     74  CG  TYR A   8      59.891  96.309  -7.997  1.00 20.86           C  
-ATOM     75  CD1 TYR A   8      60.006  96.083  -6.624  1.00 24.32           C  
-ATOM     76  CD2 TYR A   8      58.684  95.979  -8.623  1.00 23.15           C  
-ATOM     77  CE1 TYR A   8      58.944  95.531  -5.893  1.00 26.18           C  
-ATOM     78  CE2 TYR A   8      57.613  95.432  -7.895  1.00 25.33           C  
-ATOM     79  CZ  TYR A   8      57.756  95.209  -6.538  1.00 26.69           C  
-ATOM     80  OH  TYR A   8      56.716  94.671  -5.820  1.00 28.43           O  
-ATOM     81  N   ASN A   9      61.502  94.771 -10.905  1.00 16.22           N  
-ATOM     82  CA  ASN A   9      61.045  93.595 -11.613  1.00 16.49           C  
-ATOM     83  C   ASN A   9      62.101  92.492 -11.655  1.00 16.36           C  
-ATOM     84  O   ASN A   9      61.767  91.331 -11.525  1.00 15.82           O  
-ATOM     85  CB  ASN A   9      60.556  93.953 -12.994  1.00 16.41           C  
-ATOM     86  CG  ASN A   9      59.246  94.729 -12.961  1.00 18.30           C  
-ATOM     87  OD1 ASN A   9      58.586  94.843 -11.923  1.00 19.25           O  
-ATOM     88  ND2 ASN A   9      58.880  95.281 -14.095  1.00 17.79           N  
-ATOM     89  N   ILE A  10      63.363  92.884 -11.824  1.00 16.57           N  
-ATOM     90  CA  ILE A  10      64.480  91.943 -11.838  1.00 16.45           C  
-ATOM     91  C   ILE A  10      64.675  91.375 -10.442  1.00 17.00           C  
-ATOM     92  O   ILE A  10      64.773  90.169 -10.278  1.00 16.17           O  
-ATOM     93  CB  ILE A  10      65.781  92.627 -12.333  1.00 16.65           C  
-ATOM     94  CG1 ILE A  10      65.762  92.788 -13.850  1.00 15.60           C  
-ATOM     95  CG2 ILE A  10      67.044  91.821 -11.894  1.00 15.99           C  
-ATOM     96  CD1 ILE A  10      66.843  93.669 -14.387  1.00 14.19           C  
-ATOM     97  N   ARG A  11      64.702  92.232  -9.435  1.00 17.04           N  
-ATOM     98  CA  ARG A  11      64.848  91.713  -8.088  1.00 18.95           C  
-ATOM     99  C   ARG A  11      63.716  90.723  -7.761  1.00 18.76           C  
-ATOM    100  O   ARG A  11      63.953  89.649  -7.236  1.00 19.04           O  
-ATOM    101  CB  ARG A  11      64.927  92.827  -7.053  1.00 19.16           C  
-ATOM    102  CG  ARG A  11      65.217  92.274  -5.642  1.00 23.82           C  
-ATOM    103  CD  ARG A  11      65.276  93.316  -4.501  1.00 28.35           C  
-ATOM    104  NE  ARG A  11      66.665  93.461  -4.074  1.00 34.63           N  
-ATOM    105  CZ  ARG A  11      67.146  93.144  -2.876  1.00 35.02           C  
-ATOM    106  NH1 ARG A  11      66.347  92.664  -1.912  1.00 34.39           N  
-ATOM    107  NH2 ARG A  11      68.445  93.322  -2.653  1.00 34.46           N  
-ATOM    108  N   GLN A  12      62.487  91.086  -8.107  1.00 18.97           N  
-ATOM    109  CA  GLN A  12      61.336  90.240  -7.831  1.00 18.54           C  
-ATOM    110  C   GLN A  12      61.369  88.901  -8.595  1.00 19.39           C  
-ATOM    111  O   GLN A  12      60.798  87.940  -8.131  1.00 18.78           O  
-ATOM    112  CB  GLN A  12      60.033  91.014  -8.102  1.00 17.76           C  
-ATOM    113  CG  GLN A  12      59.793  92.143  -7.138  1.00 16.95           C  
-ATOM    114  CD  GLN A  12      59.680  91.629  -5.704  1.00 20.75           C  
-ATOM    115  OE1 GLN A  12      58.664  91.032  -5.343  1.00 24.32           O  
-ATOM    116  NE2 GLN A  12      60.713  91.824  -4.910  1.00 17.08           N  
-ATOM    117  N   THR A  13      62.034  88.825  -9.753  1.00 20.67           N  
-ATOM    118  CA  THR A  13      61.875  87.622 -10.607  1.00 21.36           C  
-ATOM    119  C   THR A  13      63.152  86.920 -11.121  1.00 22.72           C  
-ATOM    120  O   THR A  13      63.076  85.937 -11.877  1.00 21.84           O  
-ATOM    121  CB  THR A  13      61.017  87.946 -11.836  1.00 21.53           C  
-ATOM    122  OG1 THR A  13      61.682  88.963 -12.598  1.00 19.62           O  
-ATOM    123  CG2 THR A  13      59.665  88.556 -11.458  1.00 19.88           C  
-ATOM    124  N   SER A  14      64.313  87.470 -10.789  1.00 23.96           N  
-ATOM    125  CA  SER A  14      65.566  86.803 -11.085  1.00 25.02           C  
-ATOM    126  C   SER A  14      65.537  85.566 -10.174  1.00 24.41           C  
-ATOM    127  O   SER A  14      65.160  85.637  -8.961  1.00 25.06           O  
-ATOM    128  CB  SER A  14      66.754  87.687 -10.693  1.00 25.07           C  
-ATOM    129  OG  SER A  14      66.628  87.986  -9.278  1.00 30.05           O  
-ATOM    130  N   ARG A  15      65.881  84.432 -10.761  1.00 22.42           N  
-ATOM    131  CA  ARG A  15      66.124  83.245  -9.958  1.00 20.34           C  
-ATOM    132  C   ARG A  15      67.628  83.025  -9.995  1.00 19.21           C  
-ATOM    133  O   ARG A  15      68.135  82.371 -10.917  1.00 18.88           O  
-ATOM    134  CB  ARG A  15      65.392  82.073 -10.583  1.00 19.99           C  
-ATOM    135  CG  ARG A  15      63.908  82.261 -10.602  1.00 20.53           C  
-ATOM    136  CD  ARG A  15      63.249  81.722  -9.356  1.00 24.30           C  
-ATOM    137  NE  ARG A  15      63.866  80.443  -8.979  1.00 28.88           N  
-ATOM    138  CZ  ARG A  15      63.293  79.245  -9.093  1.00 23.57           C  
-ATOM    139  NH1 ARG A  15      62.055  79.128  -9.533  1.00 26.95           N  
-ATOM    140  NH2 ARG A  15      63.964  78.167  -8.731  1.00 25.37           N  
-ATOM    141  N   PRO A  16      68.342  83.610  -9.040  1.00 18.38           N  
-ATOM    142  CA  PRO A  16      69.821  83.614  -9.049  1.00 17.81           C  
-ATOM    143  C   PRO A  16      70.508  82.243  -8.973  1.00 18.36           C  
-ATOM    144  O   PRO A  16      71.710  82.094  -9.372  1.00 18.18           O  
-ATOM    145  CB  PRO A  16      70.201  84.419  -7.795  1.00 17.44           C  
-ATOM    146  CG  PRO A  16      68.938  84.520  -6.937  1.00 18.24           C  
-ATOM    147  CD  PRO A  16      67.768  84.332  -7.881  1.00 18.14           C  
-ATOM    148  N   ASP A  17      69.783  81.261  -8.459  1.00 18.07           N  
-ATOM    149  CA  ASP A  17      70.305  79.906  -8.396  1.00 18.62           C  
-ATOM    150  C   ASP A  17      69.873  79.070  -9.590  1.00 18.34           C  
-ATOM    151  O   ASP A  17      70.133  77.848  -9.630  1.00 19.02           O  
-ATOM    152  CB  ASP A  17      69.886  79.275  -7.068  1.00 19.45           C  
-ATOM    153  CG  ASP A  17      70.362  80.117  -5.835  1.00 23.45           C  
-ATOM    154  OD1 ASP A  17      71.528  80.654  -5.797  1.00 25.14           O  
-ATOM    155  OD2 ASP A  17      69.612  80.321  -4.858  1.00 30.63           O  
-ATOM    156  N   VAL A  18      69.230  79.707 -10.572  1.00 17.49           N  
-ATOM    157  CA  VAL A  18      68.755  78.982 -11.759  1.00 17.35           C  
-ATOM    158  C   VAL A  18      69.546  79.353 -13.034  1.00 17.54           C  
-ATOM    159  O   VAL A  18      69.425  80.460 -13.542  1.00 16.93           O  
-ATOM    160  CB  VAL A  18      67.224  79.150 -11.990  1.00 17.41           C  
-ATOM    161  CG1 VAL A  18      66.746  78.340 -13.214  1.00 17.05           C  
-ATOM    162  CG2 VAL A  18      66.458  78.731 -10.770  1.00 16.16           C  
-ATOM    163  N   ILE A  19      70.318  78.400 -13.556  1.00 17.41           N  
-ATOM    164  CA  ILE A  19      71.050  78.594 -14.801  1.00 18.05           C  
-ATOM    165  C   ILE A  19      70.059  78.858 -15.942  1.00 18.87           C  
-ATOM    166  O   ILE A  19      69.117  78.078 -16.097  1.00 19.03           O  
-ATOM    167  CB  ILE A  19      71.995  77.415 -15.104  1.00 17.82           C  
-ATOM    168  CG1 ILE A  19      72.804  77.658 -16.386  1.00 17.24           C  
-ATOM    169  CG2 ILE A  19      71.251  76.075 -15.111  1.00 16.76           C  
-ATOM    170  CD1 ILE A  19      73.822  76.587 -16.643  1.00 16.15           C  
-ATOM    171  N   PRO A  20      70.246  79.954 -16.691  1.00 19.80           N  
-ATOM    172  CA  PRO A  20      69.276  80.399 -17.713  1.00 21.24           C  
-ATOM    173  C   PRO A  20      69.367  79.616 -19.005  1.00 22.73           C  
-ATOM    174  O   PRO A  20      69.561  80.153 -20.101  1.00 22.82           O  
-ATOM    175  CB  PRO A  20      69.649  81.870 -17.946  1.00 20.62           C  
-ATOM    176  CG  PRO A  20      71.141  81.938 -17.647  1.00 20.73           C  
-ATOM    177  CD  PRO A  20      71.376  80.902 -16.564  1.00 20.27           C  
-ATOM    178  N   THR A  21      69.235  78.317 -18.858  1.00 24.68           N  
-ATOM    179  CA  THR A  21      69.289  77.403 -19.970  1.00 27.38           C  
-ATOM    180  C   THR A  21      68.006  77.597 -20.815  1.00 28.77           C  
-ATOM    181  O   THR A  21      66.939  77.786 -20.271  1.00 28.94           O  
-ATOM    182  CB  THR A  21      69.410  75.976 -19.394  1.00 27.14           C  
-ATOM    183  OG1 THR A  21      70.728  75.451 -19.657  1.00 28.82           O  
-ATOM    184  CG2 THR A  21      68.506  75.006 -20.110  1.00 28.57           C  
-ATOM    185  N   GLN A  22      68.110  77.588 -22.131  1.00 30.60           N  
-ATOM    186  CA  GLN A  22      66.935  77.683 -22.988  1.00 32.69           C  
-ATOM    187  C   GLN A  22      66.939  76.443 -23.874  1.00 32.94           C  
-ATOM    188  O   GLN A  22      67.881  76.247 -24.641  1.00 33.10           O  
-ATOM    189  CB  GLN A  22      67.012  78.943 -23.873  1.00 33.56           C  
-ATOM    190  CG  GLN A  22      66.432  80.269 -23.280  1.00 36.96           C  
-ATOM    191  CD  GLN A  22      66.396  81.445 -24.316  1.00 42.08           C  
-ATOM    192  OE1 GLN A  22      65.317  81.937 -24.689  1.00 43.91           O  
-ATOM    193  NE2 GLN A  22      67.578  81.879 -24.771  1.00 43.81           N  
-ATOM    194  N   ARG A  23      65.912  75.599 -23.743  1.00 33.90           N  
-ATOM    195  CA  ARG A  23      65.667  74.432 -24.628  1.00 34.32           C  
-ATOM    196  C   ARG A  23      66.825  73.403 -24.689  1.00 34.20           C  
-ATOM    197  O   ARG A  23      67.215  72.929 -25.783  1.00 34.18           O  
-ATOM    198  CB  ARG A  23      65.236  74.890 -26.035  1.00 34.59           C  
-ATOM    199  CG  ARG A  23      63.766  74.544 -26.400  1.00 36.42           C  
-ATOM    200  CD  ARG A  23      62.956  75.668 -27.090  1.00 38.18           C  
-ATOM    201  NE  ARG A  23      63.323  77.008 -26.617  1.00 38.74           N  
-ATOM    202  CZ  ARG A  23      62.812  78.161 -27.067  1.00 38.37           C  
-ATOM    203  NH1 ARG A  23      61.862  78.163 -28.015  1.00 35.16           N  
-ATOM    204  NH2 ARG A  23      63.257  79.317 -26.550  1.00 34.09           N  
-ATOM    205  N   ASP A  24      67.358  73.078 -23.502  1.00 33.42           N  
-ATOM    206  CA  ASP A  24      68.478  72.129 -23.332  1.00 33.00           C  
-ATOM    207  C   ASP A  24      69.772  72.471 -24.115  1.00 31.48           C  
-ATOM    208  O   ASP A  24      70.508  71.582 -24.572  1.00 31.34           O  
-ATOM    209  CB  ASP A  24      68.015  70.678 -23.574  1.00 33.36           C  
-ATOM    210  CG  ASP A  24      66.943  70.231 -22.570  1.00 36.67           C  
-ATOM    211  OD1 ASP A  24      67.302  69.868 -21.414  1.00 39.27           O  
-ATOM    212  OD2 ASP A  24      65.713  70.228 -22.844  1.00 37.89           O  
-ATOM    213  N   ARG A  25      70.041  73.772 -24.248  1.00 29.54           N  
-ATOM    214  CA  ARG A  25      71.245  74.256 -24.906  1.00 27.60           C  
-ATOM    215  C   ARG A  25      72.118  74.720 -23.782  1.00 24.97           C  
-ATOM    216  O   ARG A  25      71.601  75.151 -22.760  1.00 25.20           O  
-ATOM    217  CB  ARG A  25      70.943  75.466 -25.794  1.00 28.24           C  
-ATOM    218  CG  ARG A  25      70.605  75.121 -27.239  1.00 32.03           C  
-ATOM    219  CD  ARG A  25      71.564  75.751 -28.271  1.00 37.17           C  
-ATOM    220  NE  ARG A  25      71.901  74.776 -29.311  1.00 41.65           N  
-ATOM    221  CZ  ARG A  25      71.841  74.998 -30.634  1.00 42.76           C  
-ATOM    222  NH1 ARG A  25      71.476  76.187 -31.113  1.00 43.81           N  
-ATOM    223  NH2 ARG A  25      72.166  74.027 -31.480  1.00 40.75           N  
-ATOM    224  N   PRO A  26      73.432  74.655 -23.944  1.00 22.58           N  
-ATOM    225  CA  PRO A  26      74.313  75.250 -22.941  1.00 21.13           C  
-ATOM    226  C   PRO A  26      74.194  76.782 -22.918  1.00 19.83           C  
-ATOM    227  O   PRO A  26      73.926  77.363 -23.947  1.00 19.05           O  
-ATOM    228  CB  PRO A  26      75.716  74.804 -23.387  1.00 21.08           C  
-ATOM    229  CG  PRO A  26      75.590  74.411 -24.835  1.00 21.51           C  
-ATOM    230  CD  PRO A  26      74.170  73.970 -25.027  1.00 22.41           C  
-ATOM    231  N   VAL A  27      74.370  77.400 -21.755  1.00 18.32           N  
-ATOM    232  CA  VAL A  27      74.558  78.827 -21.669  1.00 17.78           C  
-ATOM    233  C   VAL A  27      75.962  79.112 -22.205  1.00 17.16           C  
-ATOM    234  O   VAL A  27      76.940  78.619 -21.679  1.00 16.89           O  
-ATOM    235  CB  VAL A  27      74.406  79.333 -20.202  1.00 17.97           C  
-ATOM    236  CG1 VAL A  27      74.731  80.816 -20.092  1.00 17.54           C  
-ATOM    237  CG2 VAL A  27      72.986  79.060 -19.706  1.00 18.02           C  
-ATOM    238  N   ALA A  28      76.043  79.869 -23.288  1.00 16.66           N  
-ATOM    239  CA  ALA A  28      77.331  80.328 -23.807  1.00 16.21           C  
-ATOM    240  C   ALA A  28      77.866  81.465 -22.942  1.00 16.02           C  
-ATOM    241  O   ALA A  28      77.221  82.508 -22.836  1.00 16.00           O  
-ATOM    242  CB  ALA A  28      77.211  80.742 -25.278  1.00 15.84           C  
-ATOM    243  N   VAL A  29      78.997  81.219 -22.279  1.00 15.86           N  
-ATOM    244  CA  VAL A  29      79.686  82.215 -21.460  1.00 16.32           C  
-ATOM    245  C   VAL A  29      81.004  82.623 -22.141  1.00 17.29           C  
-ATOM    246  O   VAL A  29      81.811  81.758 -22.503  1.00 17.04           O  
-ATOM    247  CB  VAL A  29      79.976  81.640 -20.033  1.00 16.18           C  
-ATOM    248  CG1 VAL A  29      80.710  82.643 -19.194  1.00 15.21           C  
-ATOM    249  CG2 VAL A  29      78.658  81.217 -19.325  1.00 15.41           C  
-ATOM    250  N   SER A  30      81.202  83.923 -22.373  1.00 18.05           N  
-ATOM    251  CA  SER A  30      82.504  84.407 -22.854  1.00 19.12           C  
-ATOM    252  C   SER A  30      83.317  84.932 -21.692  1.00 19.50           C  
-ATOM    253  O   SER A  30      82.774  85.639 -20.842  1.00 19.39           O  
-ATOM    254  CB  SER A  30      82.338  85.518 -23.879  1.00 18.84           C  
-ATOM    255  OG  SER A  30      81.495  85.091 -24.930  1.00 21.59           O  
-ATOM    256  N   VAL A  31      84.608  84.587 -21.666  1.00 19.83           N  
-ATOM    257  CA  VAL A  31      85.519  85.058 -20.626  1.00 20.96           C  
-ATOM    258  C   VAL A  31      86.746  85.570 -21.298  1.00 21.26           C  
-ATOM    259  O   VAL A  31      87.167  85.031 -22.316  1.00 21.19           O  
-ATOM    260  CB  VAL A  31      86.025  83.962 -19.665  1.00 21.59           C  
-ATOM    261  CG1 VAL A  31      86.415  84.585 -18.337  1.00 21.19           C  
-ATOM    262  CG2 VAL A  31      84.997  82.892 -19.478  1.00 22.56           C  
-ATOM    263  N   SER A  32      87.328  86.603 -20.704  1.00 21.73           N  
-ATOM    264  CA  SER A  32      88.528  87.235 -21.220  1.00 22.82           C  
-ATOM    265  C   SER A  32      89.110  87.952 -20.013  1.00 22.86           C  
-ATOM    266  O   SER A  32      88.330  88.576 -19.262  1.00 22.61           O  
-ATOM    267  CB  SER A  32      88.121  88.243 -22.283  1.00 22.77           C  
-ATOM    268  OG  SER A  32      89.167  89.140 -22.527  1.00 27.34           O  
-ATOM    269  N   LEU A  33      90.431  87.814 -19.811  1.00 22.20           N  
-ATOM    270  CA  LEU A  33      91.121  88.423 -18.682  1.00 21.68           C  
-ATOM    271  C   LEU A  33      91.878  89.612 -19.241  1.00 21.89           C  
-ATOM    272  O   LEU A  33      92.591  89.483 -20.237  1.00 21.77           O  
-ATOM    273  CB  LEU A  33      92.065  87.430 -17.997  1.00 21.26           C  
-ATOM    274  CG  LEU A  33      91.545  86.072 -17.490  1.00 21.17           C  
-ATOM    275  CD1 LEU A  33      92.575  85.358 -16.638  1.00 19.37           C  
-ATOM    276  CD2 LEU A  33      90.254  86.184 -16.714  1.00 20.93           C  
-ATOM    277  N   LYS A  34      91.682  90.787 -18.647  1.00 21.47           N  
-ATOM    278  CA  LYS A  34      92.484  91.947 -18.998  1.00 20.65           C  
-ATOM    279  C   LYS A  34      93.423  92.167 -17.836  1.00 19.81           C  
-ATOM    280  O   LYS A  34      92.998  92.581 -16.768  1.00 19.39           O  
-ATOM    281  CB  LYS A  34      91.622  93.192 -19.173  1.00 21.31           C  
-ATOM    282  CG  LYS A  34      90.328  92.965 -19.946  1.00 23.66           C  
-ATOM    283  CD  LYS A  34      90.618  92.808 -21.442  1.00 27.37           C  
-ATOM    284  CE  LYS A  34      89.375  92.268 -22.152  1.00 30.37           C  
-ATOM    285  NZ  LYS A  34      89.609  92.014 -23.625  1.00 33.50           N  
-ATOM    286  N   PHE A  35      94.702  91.885 -18.054  1.00 18.59           N  
-ATOM    287  CA  PHE A  35      95.686  92.031 -17.011  1.00 17.38           C  
-ATOM    288  C   PHE A  35      95.973  93.489 -16.684  1.00 16.85           C  
-ATOM    289  O   PHE A  35      96.197  94.310 -17.565  1.00 16.09           O  
-ATOM    290  CB  PHE A  35      96.921  91.242 -17.395  1.00 17.33           C  
-ATOM    291  CG  PHE A  35      96.682  89.754 -17.402  1.00 17.59           C  
-ATOM    292  CD1 PHE A  35      96.649  89.041 -16.221  1.00 18.00           C  
-ATOM    293  CD2 PHE A  35      96.443  89.078 -18.608  1.00 18.46           C  
-ATOM    294  CE1 PHE A  35      96.413  87.636 -16.218  1.00 19.08           C  
-ATOM    295  CE2 PHE A  35      96.195  87.682 -18.620  1.00 18.13           C  
-ATOM    296  CZ  PHE A  35      96.187  86.965 -17.416  1.00 18.16           C  
-ATOM    297  N   ILE A  36      95.930  93.794 -15.394  1.00 16.29           N  
-ATOM    298  CA  ILE A  36      96.185  95.153 -14.894  1.00 16.31           C  
-ATOM    299  C   ILE A  36      97.565  95.272 -14.225  1.00 16.50           C  
-ATOM    300  O   ILE A  36      98.230  96.308 -14.323  1.00 15.66           O  
-ATOM    301  CB  ILE A  36      95.054  95.567 -13.917  1.00 15.97           C  
-ATOM    302  CG1 ILE A  36      93.678  95.230 -14.520  1.00 15.50           C  
-ATOM    303  CG2 ILE A  36      95.127  97.069 -13.556  1.00 15.16           C  
-ATOM    304  CD1 ILE A  36      93.362  95.989 -15.836  1.00 13.98           C  
-ATOM    305  N   ASN A  37      97.968  94.214 -13.526  1.00 16.75           N  
-ATOM    306  CA  ASN A  37      99.214  94.246 -12.770  1.00 18.14           C  
-ATOM    307  C   ASN A  37      99.719  92.848 -12.438  1.00 18.55           C  
-ATOM    308  O   ASN A  37      98.945  91.912 -12.359  1.00 18.68           O  
-ATOM    309  CB  ASN A  37      99.088  95.095 -11.480  1.00 17.73           C  
-ATOM    310  CG  ASN A  37     100.262  96.001 -11.277  1.00 19.82           C  
-ATOM    311  OD1 ASN A  37     101.416  95.616 -11.493  1.00 19.37           O  
-ATOM    312  ND2 ASN A  37      99.983  97.226 -10.878  1.00 16.80           N  
-ATOM    313  N   ILE A  38     101.030  92.728 -12.316  1.00 18.88           N  
-ATOM    314  CA  ILE A  38     101.654  91.526 -11.800  1.00 19.64           C  
-ATOM    315  C   ILE A  38     102.428  92.006 -10.599  1.00 20.16           C  
-ATOM    316  O   ILE A  38     103.343  92.836 -10.741  1.00 20.39           O  
-ATOM    317  CB  ILE A  38     102.557  90.876 -12.881  1.00 19.59           C  
-ATOM    318  CG1 ILE A  38     101.706  90.449 -14.072  1.00 19.24           C  
-ATOM    319  CG2 ILE A  38     103.319  89.689 -12.289  1.00 19.12           C  
-ATOM    320  CD1 ILE A  38     102.455  90.255 -15.332  1.00 19.82           C  
-ATOM    321  N   LEU A  39     102.028  91.540  -9.422  1.00 21.04           N  
-ATOM    322  CA  LEU A  39     102.471  92.152  -8.156  1.00 22.09           C  
-ATOM    323  C   LEU A  39     103.660  91.430  -7.565  1.00 22.48           C  
-ATOM    324  O   LEU A  39     104.528  92.027  -6.934  1.00 23.22           O  
-ATOM    325  CB  LEU A  39     101.318  92.187  -7.151  1.00 21.60           C  
-ATOM    326  CG  LEU A  39     100.142  92.992  -7.699  1.00 23.03           C  
-ATOM    327  CD1 LEU A  39      98.940  92.873  -6.829  1.00 23.75           C  
-ATOM    328  CD2 LEU A  39     100.524  94.486  -7.880  1.00 23.06           C  
-ATOM    329  N   GLU A  40     103.686  90.126  -7.755  1.00 22.72           N  
-ATOM    330  CA  GLU A  40     104.726  89.319  -7.131  1.00 23.32           C  
-ATOM    331  C   GLU A  40     104.900  88.087  -7.970  1.00 22.25           C  
-ATOM    332  O   GLU A  40     103.926  87.528  -8.468  1.00 22.42           O  
-ATOM    333  CB  GLU A  40     104.357  88.915  -5.685  1.00 23.45           C  
-ATOM    334  CG  GLU A  40     105.464  88.154  -4.973  1.00 26.95           C  
-ATOM    335  CD  GLU A  40     105.118  87.811  -3.524  1.00 32.11           C  
-ATOM    336  OE1 GLU A  40     103.916  87.539  -3.229  1.00 33.05           O  
-ATOM    337  OE2 GLU A  40     106.056  87.832  -2.673  1.00 33.61           O  
-ATOM    338  N   VAL A  41     106.151  87.683  -8.099  1.00 21.05           N  
-ATOM    339  CA  VAL A  41     106.496  86.535  -8.881  1.00 20.74           C  
-ATOM    340  C   VAL A  41     107.574  85.812  -8.071  1.00 20.48           C  
-ATOM    341  O   VAL A  41     108.449  86.434  -7.477  1.00 19.56           O  
-ATOM    342  CB  VAL A  41     106.960  87.000 -10.306  1.00 21.01           C  
-ATOM    343  CG1 VAL A  41     107.980  86.108 -10.895  1.00 21.04           C  
-ATOM    344  CG2 VAL A  41     105.777  87.136 -11.243  1.00 20.44           C  
-ATOM    345  N   ASN A  42     107.488  84.491  -8.037  1.00 20.25           N  
-ATOM    346  CA  ASN A  42     108.470  83.704  -7.341  1.00 20.48           C  
-ATOM    347  C   ASN A  42     108.892  82.541  -8.226  1.00 20.77           C  
-ATOM    348  O   ASN A  42     108.133  81.602  -8.430  1.00 20.23           O  
-ATOM    349  CB  ASN A  42     107.921  83.217  -5.992  1.00 20.47           C  
-ATOM    350  CG  ASN A  42     109.014  82.615  -5.100  1.00 20.88           C  
-ATOM    351  OD1 ASN A  42     109.907  81.914  -5.586  1.00 21.22           O  
-ATOM    352  ND2 ASN A  42     108.931  82.872  -3.792  1.00 19.32           N  
-ATOM    353  N   GLU A  43     110.118  82.620  -8.731  1.00 21.22           N  
-ATOM    354  CA  GLU A  43     110.632  81.625  -9.649  1.00 22.03           C  
-ATOM    355  C   GLU A  43     110.989  80.292  -8.967  1.00 22.09           C  
-ATOM    356  O   GLU A  43     111.029  79.252  -9.635  1.00 21.65           O  
-ATOM    357  CB  GLU A  43     111.825  82.179 -10.454  1.00 22.34           C  
-ATOM    358  CG  GLU A  43     111.859  81.676 -11.903  1.00 24.30           C  
-ATOM    359  CD  GLU A  43     113.039  82.200 -12.732  1.00 27.24           C  
-ATOM    360  OE1 GLU A  43     113.478  83.360 -12.507  1.00 28.56           O  
-ATOM    361  OE2 GLU A  43     113.517  81.455 -13.632  1.00 27.52           O  
-ATOM    362  N   ILE A  44     111.254  80.336  -7.655  1.00 21.93           N  
-ATOM    363  CA  ILE A  44     111.519  79.126  -6.878  1.00 22.04           C  
-ATOM    364  C   ILE A  44     110.224  78.332  -6.677  1.00 21.73           C  
-ATOM    365  O   ILE A  44     110.193  77.138  -6.984  1.00 21.77           O  
-ATOM    366  CB  ILE A  44     112.196  79.462  -5.483  1.00 22.41           C  
-ATOM    367  CG1 ILE A  44     113.474  80.322  -5.640  1.00 22.96           C  
-ATOM    368  CG2 ILE A  44     112.463  78.189  -4.666  1.00 22.48           C  
-ATOM    369  CD1 ILE A  44     114.580  79.724  -6.529  1.00 24.25           C  
-ATOM    370  N   THR A  45     109.161  78.992  -6.191  1.00 20.78           N  
-ATOM    371  CA  THR A  45     107.918  78.299  -5.891  1.00 20.27           C  
-ATOM    372  C   THR A  45     106.969  78.169  -7.063  1.00 19.84           C  
-ATOM    373  O   THR A  45     105.952  77.498  -6.953  1.00 19.88           O  
-ATOM    374  CB  THR A  45     107.170  78.968  -4.724  1.00 20.54           C  
-ATOM    375  OG1 THR A  45     106.859  80.319  -5.081  1.00 20.35           O  
-ATOM    376  CG2 THR A  45     108.074  79.075  -3.481  1.00 20.43           C  
-ATOM    377  N   ASN A  46     107.287  78.812  -8.178  1.00 19.34           N  
-ATOM    378  CA  ASN A  46     106.366  78.908  -9.314  1.00 18.79           C  
-ATOM    379  C   ASN A  46     104.997  79.478  -8.962  1.00 18.60           C  
-ATOM    380  O   ASN A  46     103.958  78.874  -9.241  1.00 18.58           O  
-ATOM    381  CB  ASN A  46     106.240  77.560 -10.053  1.00 18.44           C  
-ATOM    382  CG  ASN A  46     107.316  77.376 -11.128  1.00 18.48           C  
-ATOM    383  OD1 ASN A  46     107.709  78.333 -11.798  1.00 17.49           O  
-ATOM    384  ND2 ASN A  46     107.791  76.143 -11.301  1.00 15.61           N  
-ATOM    385  N   GLU A  47     104.993  80.648  -8.343  1.00 19.10           N  
-ATOM    386  CA  GLU A  47     103.747  81.262  -7.909  1.00 19.48           C  
-ATOM    387  C   GLU A  47     103.774  82.688  -8.425  1.00 19.69           C  
-ATOM    388  O   GLU A  47     104.860  83.263  -8.510  1.00 19.37           O  
-ATOM    389  CB  GLU A  47     103.624  81.203  -6.361  1.00 19.77           C  
-ATOM    390  CG  GLU A  47     103.391  79.784  -5.817  1.00 21.41           C  
-ATOM    391  CD  GLU A  47     103.430  79.654  -4.288  1.00 25.87           C  
-ATOM    392  OE1 GLU A  47     103.174  80.644  -3.562  1.00 28.10           O  
-ATOM    393  OE2 GLU A  47     103.706  78.534  -3.774  1.00 27.99           O  
-ATOM    394  N   VAL A  48     102.592  83.230  -8.777  1.00 19.48           N  
-ATOM    395  CA  VAL A  48     102.432  84.611  -9.213  1.00 20.07           C  
-ATOM    396  C   VAL A  48     101.184  85.220  -8.572  1.00 20.30           C  
-ATOM    397  O   VAL A  48     100.182  84.533  -8.364  1.00 19.76           O  
-ATOM    398  CB  VAL A  48     102.317  84.751 -10.772  1.00 19.98           C  
-ATOM    399  CG1 VAL A  48     103.505  84.164 -11.462  1.00 20.47           C  
-ATOM    400  CG2 VAL A  48     101.055  84.083 -11.311  1.00 20.80           C  
-ATOM    401  N   ASP A  49     101.265  86.510  -8.279  1.00 20.48           N  
-ATOM    402  CA  ASP A  49     100.177  87.298  -7.697  1.00 21.42           C  
-ATOM    403  C   ASP A  49      99.769  88.325  -8.765  1.00 20.92           C  
-ATOM    404  O   ASP A  49     100.588  89.176  -9.166  1.00 20.39           O  
-ATOM    405  CB  ASP A  49     100.736  88.008  -6.464  1.00 22.22           C  
-ATOM    406  CG  ASP A  49      99.688  88.489  -5.498  1.00 24.83           C  
-ATOM    407  OD1 ASP A  49      98.498  88.595  -5.830  1.00 28.36           O  
-ATOM    408  OD2 ASP A  49     100.018  88.797  -4.327  1.00 28.97           O  
-ATOM    409  N   VAL A  50      98.530  88.242  -9.251  1.00 20.47           N  
-ATOM    410  CA  VAL A  50      98.101  89.050 -10.405  1.00 20.28           C  
-ATOM    411  C   VAL A  50      96.788  89.829 -10.172  1.00 19.70           C  
-ATOM    412  O   VAL A  50      95.952  89.422  -9.362  1.00 19.15           O  
-ATOM    413  CB  VAL A  50      97.950  88.136 -11.664  1.00 20.88           C  
-ATOM    414  CG1 VAL A  50      97.523  88.927 -12.900  1.00 22.58           C  
-ATOM    415  CG2 VAL A  50      99.255  87.495 -11.996  1.00 22.12           C  
-ATOM    416  N   VAL A  51      96.605  90.936 -10.893  1.00 18.23           N  
-ATOM    417  CA  VAL A  51      95.353  91.675 -10.850  1.00 17.46           C  
-ATOM    418  C   VAL A  51      94.829  91.700 -12.300  1.00 17.12           C  
-ATOM    419  O   VAL A  51      95.553  92.104 -13.206  1.00 16.74           O  
-ATOM    420  CB  VAL A  51      95.507  93.136 -10.293  1.00 17.62           C  
-ATOM    421  CG1 VAL A  51      94.166  93.892 -10.350  1.00 17.03           C  
-ATOM    422  CG2 VAL A  51      96.035  93.153  -8.901  1.00 17.04           C  
-ATOM    423  N   PHE A  52      93.593  91.256 -12.521  1.00 15.63           N  
-ATOM    424  CA  PHE A  52      93.027  91.223 -13.857  1.00 15.54           C  
-ATOM    425  C   PHE A  52      91.545  91.569 -13.796  1.00 16.24           C  
-ATOM    426  O   PHE A  52      90.872  91.273 -12.812  1.00 14.66           O  
-ATOM    427  CB  PHE A  52      93.236  89.844 -14.509  1.00 16.40           C  
-ATOM    428  CG  PHE A  52      92.794  88.681 -13.642  1.00 16.91           C  
-ATOM    429  CD1 PHE A  52      93.654  88.122 -12.709  1.00 20.04           C  
-ATOM    430  CD2 PHE A  52      91.500  88.167 -13.748  1.00 17.55           C  
-ATOM    431  CE1 PHE A  52      93.218  87.019 -11.870  1.00 19.72           C  
-ATOM    432  CE2 PHE A  52      91.056  87.065 -12.933  1.00 17.77           C  
-ATOM    433  CZ  PHE A  52      91.903  86.508 -12.019  1.00 19.55           C  
-ATOM    434  N   TRP A  53      91.042  92.234 -14.841  1.00 16.58           N  
-ATOM    435  CA  TRP A  53      89.601  92.363 -15.022  1.00 17.42           C  
-ATOM    436  C   TRP A  53      89.062  91.067 -15.678  1.00 18.16           C  
-ATOM    437  O   TRP A  53      89.453  90.692 -16.786  1.00 18.46           O  
-ATOM    438  CB  TRP A  53      89.249  93.590 -15.854  1.00 16.50           C  
-ATOM    439  CG  TRP A  53      89.705  94.886 -15.258  1.00 16.57           C  
-ATOM    440  CD1 TRP A  53      90.144  95.102 -13.992  1.00 16.41           C  
-ATOM    441  CD2 TRP A  53      89.786  96.146 -15.931  1.00 16.38           C  
-ATOM    442  NE1 TRP A  53      90.487  96.429 -13.831  1.00 17.35           N  
-ATOM    443  CE2 TRP A  53      90.274  97.087 -15.012  1.00 16.96           C  
-ATOM    444  CE3 TRP A  53      89.506  96.571 -17.236  1.00 18.51           C  
-ATOM    445  CZ2 TRP A  53      90.497  98.423 -15.346  1.00 18.87           C  
-ATOM    446  CZ3 TRP A  53      89.709  97.916 -17.559  1.00 19.54           C  
-ATOM    447  CH2 TRP A  53      90.210  98.816 -16.615  1.00 19.20           C  
-ATOM    448  N   GLN A  54      88.149  90.384 -15.020  1.00 18.80           N  
-ATOM    449  CA  GLN A  54      87.636  89.148 -15.601  1.00 19.77           C  
-ATOM    450  C   GLN A  54      86.348  89.422 -16.353  1.00 19.53           C  
-ATOM    451  O   GLN A  54      85.257  89.356 -15.778  1.00 19.37           O  
-ATOM    452  CB  GLN A  54      87.403  88.125 -14.491  1.00 20.06           C  
-ATOM    453  CG  GLN A  54      86.939  86.736 -14.982  1.00 23.19           C  
-ATOM    454  CD  GLN A  54      86.999  85.708 -13.841  1.00 27.86           C  
-ATOM    455  OE1 GLN A  54      88.089  85.410 -13.330  1.00 29.51           O  
-ATOM    456  NE2 GLN A  54      85.844  85.208 -13.411  1.00 29.16           N  
-ATOM    457  N   GLN A  55      86.476  89.771 -17.623  1.00 19.30           N  
-ATOM    458  CA  GLN A  55      85.346  90.206 -18.395  1.00 19.77           C  
-ATOM    459  C   GLN A  55      84.469  88.995 -18.704  1.00 20.11           C  
-ATOM    460  O   GLN A  55      84.902  88.050 -19.383  1.00 19.88           O  
-ATOM    461  CB  GLN A  55      85.797  90.889 -19.675  1.00 19.80           C  
-ATOM    462  CG  GLN A  55      84.641  91.253 -20.607  1.00 22.14           C  
-ATOM    463  CD  GLN A  55      85.121  91.911 -21.924  1.00 26.60           C  
-ATOM    464  OE1 GLN A  55      86.283  92.346 -22.034  1.00 28.52           O  
-ATOM    465  NE2 GLN A  55      84.231  91.981 -22.901  1.00 26.63           N  
-ATOM    466  N   THR A  56      83.218  89.046 -18.259  1.00 19.60           N  
-ATOM    467  CA  THR A  56      82.359  87.878 -18.338  1.00 20.17           C  
-ATOM    468  C   THR A  56      81.012  88.227 -18.910  1.00 19.85           C  
-ATOM    469  O   THR A  56      80.333  89.132 -18.451  1.00 19.89           O  
-ATOM    470  CB  THR A  56      82.175  87.230 -16.954  1.00 20.47           C  
-ATOM    471  OG1 THR A  56      83.435  87.251 -16.287  1.00 22.55           O  
-ATOM    472  CG2 THR A  56      81.879  85.763 -17.102  1.00 20.06           C  
-ATOM    473  N   THR A  57      80.615  87.458 -19.900  1.00 19.07           N  
-ATOM    474  CA  THR A  57      79.508  87.827 -20.713  1.00 19.64           C  
-ATOM    475  C   THR A  57      78.634  86.615 -20.964  1.00 18.86           C  
-ATOM    476  O   THR A  57      79.138  85.534 -21.238  1.00 18.28           O  
-ATOM    477  CB  THR A  57      80.079  88.444 -22.007  1.00 20.48           C  
-ATOM    478  OG1 THR A  57      79.906  89.881 -21.968  1.00 22.90           O  
-ATOM    479  CG2 THR A  57      79.365  87.973 -23.249  1.00 21.55           C  
-ATOM    480  N   TRP A  58      77.323  86.809 -20.841  1.00 17.76           N  
-ATOM    481  CA  TRP A  58      76.348  85.767 -21.152  1.00 17.66           C  
-ATOM    482  C   TRP A  58      74.962  86.366 -21.337  1.00 17.78           C  
-ATOM    483  O   TRP A  58      74.698  87.519 -21.009  1.00 17.81           O  
-ATOM    484  CB  TRP A  58      76.294  84.681 -20.062  1.00 16.85           C  
-ATOM    485  CG  TRP A  58      75.714  85.160 -18.781  1.00 16.55           C  
-ATOM    486  CD1 TRP A  58      74.423  85.017 -18.363  1.00 16.60           C  
-ATOM    487  CD2 TRP A  58      76.394  85.868 -17.741  1.00 15.48           C  
-ATOM    488  NE1 TRP A  58      74.256  85.570 -17.113  1.00 15.66           N  
-ATOM    489  CE2 TRP A  58      75.449  86.103 -16.704  1.00 14.32           C  
-ATOM    490  CE3 TRP A  58      77.709  86.312 -17.559  1.00 14.09           C  
-ATOM    491  CZ2 TRP A  58      75.771  86.765 -15.545  1.00 14.23           C  
-ATOM    492  CZ3 TRP A  58      78.021  86.968 -16.380  1.00 14.47           C  
-ATOM    493  CH2 TRP A  58      77.065  87.198 -15.403  1.00 15.25           C  
-ATOM    494  N   SER A  59      74.064  85.535 -21.823  1.00 18.02           N  
-ATOM    495  CA  SER A  59      72.692  85.939 -22.027  1.00 19.37           C  
-ATOM    496  C   SER A  59      71.712  85.279 -21.057  1.00 19.14           C  
-ATOM    497  O   SER A  59      71.792  84.074 -20.807  1.00 18.77           O  
-ATOM    498  CB  SER A  59      72.322  85.659 -23.491  1.00 19.29           C  
-ATOM    499  OG  SER A  59      70.972  85.267 -23.571  1.00 22.74           O  
-ATOM    500  N   ASP A  60      70.796  86.078 -20.502  1.00 19.54           N  
-ATOM    501  CA  ASP A  60      69.733  85.553 -19.626  1.00 19.86           C  
-ATOM    502  C   ASP A  60      68.405  86.221 -20.009  1.00 19.86           C  
-ATOM    503  O   ASP A  60      68.110  87.374 -19.612  1.00 19.35           O  
-ATOM    504  CB  ASP A  60      70.072  85.761 -18.150  1.00 20.19           C  
-ATOM    505  CG  ASP A  60      69.050  85.132 -17.206  1.00 22.29           C  
-ATOM    506  OD1 ASP A  60      67.936  84.795 -17.669  1.00 21.94           O  
-ATOM    507  OD2 ASP A  60      69.273  84.973 -15.975  1.00 24.24           O  
-ATOM    508  N   ARG A  61      67.644  85.510 -20.830  1.00 19.89           N  
-ATOM    509  CA  ARG A  61      66.386  85.992 -21.395  1.00 21.39           C  
-ATOM    510  C   ARG A  61      65.282  86.271 -20.377  1.00 20.70           C  
-ATOM    511  O   ARG A  61      64.337  87.015 -20.682  1.00 19.75           O  
-ATOM    512  CB  ARG A  61      65.854  84.993 -22.429  1.00 21.50           C  
-ATOM    513  CG  ARG A  61      66.113  85.380 -23.882  1.00 26.38           C  
-ATOM    514  CD  ARG A  61      66.417  86.872 -24.103  1.00 31.20           C  
-ATOM    515  NE  ARG A  61      65.578  87.495 -25.136  1.00 33.25           N  
-ATOM    516  CZ  ARG A  61      66.029  87.885 -26.332  1.00 36.56           C  
-ATOM    517  NH1 ARG A  61      67.309  87.702 -26.664  1.00 36.39           N  
-ATOM    518  NH2 ARG A  61      65.197  88.443 -27.210  1.00 36.51           N  
-ATOM    519  N   THR A  62      65.381  85.665 -19.191  1.00 20.71           N  
-ATOM    520  CA  THR A  62      64.414  85.946 -18.130  1.00 21.31           C  
-ATOM    521  C   THR A  62      64.576  87.384 -17.598  1.00 20.82           C  
-ATOM    522  O   THR A  62      63.695  87.883 -16.913  1.00 20.95           O  
-ATOM    523  CB  THR A  62      64.505  84.946 -16.958  1.00 21.35           C  
-ATOM    524  OG1 THR A  62      65.786  85.091 -16.315  1.00 23.09           O  
-ATOM    525  CG2 THR A  62      64.467  83.496 -17.447  1.00 22.39           C  
-ATOM    526  N   LEU A  63      65.694  88.043 -17.908  1.00 20.19           N  
-ATOM    527  CA  LEU A  63      65.925  89.400 -17.405  1.00 19.84           C  
-ATOM    528  C   LEU A  63      65.394  90.445 -18.374  1.00 19.76           C  
-ATOM    529  O   LEU A  63      65.324  91.629 -18.032  1.00 20.02           O  
-ATOM    530  CB  LEU A  63      67.417  89.653 -17.178  1.00 19.38           C  
-ATOM    531  CG  LEU A  63      68.217  88.722 -16.265  1.00 20.81           C  
-ATOM    532  CD1 LEU A  63      69.683  89.116 -16.305  1.00 18.99           C  
-ATOM    533  CD2 LEU A  63      67.668  88.731 -14.815  1.00 19.80           C  
-ATOM    534  N   ALA A  64      65.071  90.020 -19.597  1.00 19.02           N  
-ATOM    535  CA  ALA A  64      64.696  90.951 -20.659  1.00 19.03           C  
-ATOM    536  C   ALA A  64      63.467  91.793 -20.332  1.00 19.00           C  
-ATOM    537  O   ALA A  64      62.569  91.360 -19.600  1.00 19.05           O  
-ATOM    538  CB  ALA A  64      64.471  90.209 -21.981  1.00 18.96           C  
-ATOM    539  N   TRP A  65      63.430  92.992 -20.899  1.00 18.62           N  
-ATOM    540  CA  TRP A  65      62.274  93.854 -20.794  1.00 18.70           C  
-ATOM    541  C   TRP A  65      62.130  94.687 -22.063  1.00 19.23           C  
-ATOM    542  O   TRP A  65      63.089  94.901 -22.797  1.00 19.00           O  
-ATOM    543  CB  TRP A  65      62.360  94.770 -19.548  1.00 18.02           C  
-ATOM    544  CG  TRP A  65      63.415  95.849 -19.644  1.00 16.36           C  
-ATOM    545  CD1 TRP A  65      63.248  97.123 -20.127  1.00 15.50           C  
-ATOM    546  CD2 TRP A  65      64.786  95.760 -19.238  1.00 13.93           C  
-ATOM    547  NE1 TRP A  65      64.429  97.826 -20.053  1.00 13.90           N  
-ATOM    548  CE2 TRP A  65      65.394  97.008 -19.523  1.00 13.04           C  
-ATOM    549  CE3 TRP A  65      65.575  94.740 -18.684  1.00 13.08           C  
-ATOM    550  CZ2 TRP A  65      66.750  97.266 -19.258  1.00 12.21           C  
-ATOM    551  CZ3 TRP A  65      66.913  94.981 -18.427  1.00 12.37           C  
-ATOM    552  CH2 TRP A  65      67.492  96.233 -18.707  1.00 12.43           C  
-ATOM    553  N   ASN A  66      60.920  95.152 -22.303  1.00 19.83           N  
-ATOM    554  CA  ASN A  66      60.629  96.007 -23.457  1.00 20.95           C  
-ATOM    555  C   ASN A  66      61.150  97.436 -23.226  1.00 20.78           C  
-ATOM    556  O   ASN A  66      60.678  98.124 -22.332  1.00 21.11           O  
-ATOM    557  CB  ASN A  66      59.110  96.022 -23.734  1.00 21.16           C  
-ATOM    558  CG  ASN A  66      58.755  96.698 -25.061  1.00 22.93           C  
-ATOM    559  OD1 ASN A  66      59.452  97.610 -25.506  1.00 23.23           O  
-ATOM    560  ND2 ASN A  66      57.653  96.270 -25.682  1.00 25.18           N  
-ATOM    561  N   SER A  67      62.109  97.897 -24.022  1.00 20.30           N  
-ATOM    562  CA  SER A  67      62.681  99.224 -23.813  1.00 19.73           C  
-ATOM    563  C   SER A  67      62.515 100.167 -24.982  1.00 20.09           C  
-ATOM    564  O   SER A  67      63.401 100.990 -25.213  1.00 19.03           O  
-ATOM    565  CB  SER A  67      64.178  99.114 -23.515  1.00 20.09           C  
-ATOM    566  OG  SER A  67      64.880  98.625 -24.640  1.00 18.82           O  
-ATOM    567  N   SER A  68      61.407 100.048 -25.726  1.00 20.80           N  
-ATOM    568  CA  SER A  68      61.115 100.994 -26.811  1.00 21.47           C  
-ATOM    569  C   SER A  68      61.024 102.407 -26.243  1.00 21.53           C  
-ATOM    570  O   SER A  68      61.471 103.364 -26.878  1.00 21.21           O  
-ATOM    571  CB  SER A  68      59.827 100.638 -27.565  1.00 22.04           C  
-ATOM    572  OG  SER A  68      58.697 100.601 -26.705  1.00 23.30           O  
-ATOM    573  N   HIS A  69      60.488 102.522 -25.029  1.00 21.50           N  
-ATOM    574  CA  HIS A  69      60.392 103.820 -24.374  1.00 21.89           C  
-ATOM    575  C   HIS A  69      60.923 103.811 -22.934  1.00 21.88           C  
-ATOM    576  O   HIS A  69      60.409 104.513 -22.072  1.00 22.07           O  
-ATOM    577  CB  HIS A  69      58.955 104.370 -24.499  1.00 21.77           C  
-ATOM    578  CG  HIS A  69      58.546 104.625 -25.922  1.00 22.85           C  
-ATOM    579  ND1 HIS A  69      58.999 105.712 -26.646  1.00 23.18           N  
-ATOM    580  CD2 HIS A  69      57.782 103.900 -26.776  1.00 23.75           C  
-ATOM    581  CE1 HIS A  69      58.516 105.655 -27.875  1.00 23.84           C  
-ATOM    582  NE2 HIS A  69      57.770 104.569 -27.981  1.00 23.41           N  
-ATOM    583  N   SER A  70      61.975 103.029 -22.702  1.00 22.14           N  
-ATOM    584  CA  SER A  70      62.589 102.851 -21.378  1.00 22.03           C  
-ATOM    585  C   SER A  70      64.136 102.825 -21.488  1.00 21.78           C  
-ATOM    586  O   SER A  70      64.675 102.598 -22.561  1.00 21.72           O  
-ATOM    587  CB  SER A  70      62.065 101.558 -20.718  1.00 21.93           C  
-ATOM    588  OG  SER A  70      60.630 101.565 -20.716  1.00 22.64           O  
-ATOM    589  N   PRO A  71      64.862 103.078 -20.399  1.00 21.59           N  
-ATOM    590  CA  PRO A  71      66.309 102.819 -20.388  1.00 21.47           C  
-ATOM    591  C   PRO A  71      66.580 101.379 -20.842  1.00 20.96           C  
-ATOM    592  O   PRO A  71      65.811 100.468 -20.514  1.00 20.52           O  
-ATOM    593  CB  PRO A  71      66.688 102.987 -18.920  1.00 21.25           C  
-ATOM    594  CG  PRO A  71      65.615 103.874 -18.358  1.00 21.43           C  
-ATOM    595  CD  PRO A  71      64.381 103.613 -19.111  1.00 21.56           C  
-ATOM    596  N   ASP A  72      67.630 101.192 -21.622  1.00 20.67           N  
-ATOM    597  CA  ASP A  72      67.891  99.868 -22.177  1.00 21.50           C  
-ATOM    598  C   ASP A  72      69.043  99.120 -21.484  1.00 20.15           C  
-ATOM    599  O   ASP A  72      69.371  98.002 -21.873  1.00 20.05           O  
-ATOM    600  CB  ASP A  72      68.077  99.933 -23.708  1.00 22.60           C  
-ATOM    601  CG  ASP A  72      69.459 100.341 -24.085  1.00 26.34           C  
-ATOM    602  OD1 ASP A  72      69.965 101.325 -23.501  1.00 29.99           O  
-ATOM    603  OD2 ASP A  72      70.131  99.718 -24.929  1.00 31.55           O  
-ATOM    604  N   GLN A  73      69.618  99.738 -20.448  1.00 18.67           N  
-ATOM    605  CA  GLN A  73      70.636  99.112 -19.595  1.00 17.74           C  
-ATOM    606  C   GLN A  73      70.519  99.560 -18.157  1.00 16.34           C  
-ATOM    607  O   GLN A  73      70.195 100.698 -17.881  1.00 15.77           O  
-ATOM    608  CB  GLN A  73      72.044  99.494 -20.054  1.00 17.82           C  
-ATOM    609  CG  GLN A  73      72.496  98.780 -21.275  1.00 20.65           C  
-ATOM    610  CD  GLN A  73      73.978  98.942 -21.542  1.00 22.63           C  
-ATOM    611  OE1 GLN A  73      74.798  98.810 -20.633  1.00 24.23           O  
-ATOM    612  NE2 GLN A  73      74.329  99.185 -22.802  1.00 20.30           N  
-ATOM    613  N   VAL A  74      70.838  98.668 -17.241  1.00 15.41           N  
-ATOM    614  CA  VAL A  74      70.910  99.008 -15.830  1.00 14.62           C  
-ATOM    615  C   VAL A  74      72.094  98.289 -15.180  1.00 14.90           C  
-ATOM    616  O   VAL A  74      72.572  97.251 -15.676  1.00 14.44           O  
-ATOM    617  CB  VAL A  74      69.598  98.625 -15.077  1.00 14.76           C  
-ATOM    618  CG1 VAL A  74      68.416  99.594 -15.436  1.00 13.58           C  
-ATOM    619  CG2 VAL A  74      69.249  97.182 -15.316  1.00 12.53           C  
-ATOM    620  N   SER A  75      72.538  98.815 -14.052  1.00 14.56           N  
-ATOM    621  CA  SER A  75      73.459  98.092 -13.172  1.00 15.39           C  
-ATOM    622  C   SER A  75      72.682  97.319 -12.094  1.00 15.75           C  
-ATOM    623  O   SER A  75      71.788  97.880 -11.450  1.00 16.34           O  
-ATOM    624  CB  SER A  75      74.422  99.071 -12.501  1.00 15.28           C  
-ATOM    625  OG  SER A  75      75.247  99.686 -13.460  1.00 14.89           O  
-ATOM    626  N   VAL A  76      73.040  96.057 -11.877  1.00 15.66           N  
-ATOM    627  CA  VAL A  76      72.312  95.159 -10.993  1.00 15.51           C  
-ATOM    628  C   VAL A  76      73.312  94.422 -10.066  1.00 16.37           C  
-ATOM    629  O   VAL A  76      74.330  93.871 -10.533  1.00 15.32           O  
-ATOM    630  CB  VAL A  76      71.508  94.086 -11.826  1.00 16.17           C  
-ATOM    631  CG1 VAL A  76      70.662  93.172 -10.933  1.00 14.76           C  
-ATOM    632  CG2 VAL A  76      70.643  94.745 -12.895  1.00 14.28           C  
-ATOM    633  N   PRO A  77      73.046  94.425  -8.752  1.00 16.86           N  
-ATOM    634  CA  PRO A  77      73.890  93.673  -7.816  1.00 17.10           C  
-ATOM    635  C   PRO A  77      73.912  92.173  -8.272  1.00 17.30           C  
-ATOM    636  O   PRO A  77      72.867  91.655  -8.605  1.00 16.62           O  
-ATOM    637  CB  PRO A  77      73.199  93.850  -6.446  1.00 17.07           C  
-ATOM    638  CG  PRO A  77      72.136  94.802  -6.605  1.00 17.96           C  
-ATOM    639  CD  PRO A  77      71.952  95.155  -8.089  1.00 17.02           C  
-ATOM    640  N   ILE A  78      75.072  91.533  -8.332  1.00 17.68           N  
-ATOM    641  CA  ILE A  78      75.119  90.138  -8.768  1.00 19.24           C  
-ATOM    642  C   ILE A  78      74.338  89.196  -7.844  1.00 20.08           C  
-ATOM    643  O   ILE A  78      73.968  88.093  -8.240  1.00 20.06           O  
-ATOM    644  CB  ILE A  78      76.578  89.618  -8.982  1.00 20.04           C  
-ATOM    645  CG1 ILE A  78      77.362  89.600  -7.666  1.00 20.35           C  
-ATOM    646  CG2 ILE A  78      77.293  90.410 -10.094  1.00 18.69           C  
-ATOM    647  CD1 ILE A  78      78.608  88.735  -7.732  1.00 23.49           C  
-ATOM    648  N   SER A  79      74.065  89.643  -6.620  1.00 20.27           N  
-ATOM    649  CA  SER A  79      73.217  88.873  -5.726  1.00 21.22           C  
-ATOM    650  C   SER A  79      71.801  88.717  -6.249  1.00 20.92           C  
-ATOM    651  O   SER A  79      71.117  87.787  -5.863  1.00 21.13           O  
-ATOM    652  CB  SER A  79      73.237  89.469  -4.311  1.00 21.84           C  
-ATOM    653  OG  SER A  79      72.532  90.696  -4.244  1.00 24.28           O  
-ATOM    654  N   SER A  80      71.382  89.586  -7.163  1.00 20.47           N  
-ATOM    655  CA  SER A  80      70.054  89.480  -7.774  1.00 20.97           C  
-ATOM    656  C   SER A  80      70.036  88.724  -9.114  1.00 20.33           C  
-ATOM    657  O   SER A  80      68.990  88.598  -9.726  1.00 20.83           O  
-ATOM    658  CB  SER A  80      69.458  90.895  -7.997  1.00 20.96           C  
-ATOM    659  OG  SER A  80      69.110  91.488  -6.761  1.00 23.91           O  
-ATOM    660  N   LEU A  81      71.181  88.247  -9.563  1.00 19.66           N  
-ATOM    661  CA  LEU A  81      71.327  87.606 -10.884  1.00 19.53           C  
-ATOM    662  C   LEU A  81      71.948  86.224 -10.738  1.00 18.61           C  
-ATOM    663  O   LEU A  81      72.778  86.021  -9.875  1.00 17.87           O  
-ATOM    664  CB  LEU A  81      72.317  88.411 -11.756  1.00 20.35           C  
-ATOM    665  CG  LEU A  81      72.024  89.871 -12.150  1.00 21.68           C  
-ATOM    666  CD1 LEU A  81      73.056  90.374 -13.128  1.00 22.77           C  
-ATOM    667  CD2 LEU A  81      70.723  89.904 -12.779  1.00 24.23           C  
-ATOM    668  N   TRP A  82      71.597  85.296 -11.619  1.00 17.82           N  
-ATOM    669  CA  TRP A  82      72.439  84.122 -11.819  1.00 17.58           C  
-ATOM    670  C   TRP A  82      73.751  84.559 -12.464  1.00 17.65           C  
-ATOM    671  O   TRP A  82      73.746  85.316 -13.424  1.00 17.53           O  
-ATOM    672  CB  TRP A  82      71.778  83.086 -12.716  1.00 16.52           C  
-ATOM    673  CG  TRP A  82      72.675  81.889 -12.976  1.00 17.07           C  
-ATOM    674  CD1 TRP A  82      72.775  80.749 -12.202  1.00 16.08           C  
-ATOM    675  CD2 TRP A  82      73.577  81.703 -14.071  1.00 15.93           C  
-ATOM    676  NE1 TRP A  82      73.666  79.875 -12.761  1.00 16.20           N  
-ATOM    677  CE2 TRP A  82      74.164  80.417 -13.918  1.00 17.03           C  
-ATOM    678  CE3 TRP A  82      73.927  82.473 -15.199  1.00 15.16           C  
-ATOM    679  CZ2 TRP A  82      75.092  79.890 -14.842  1.00 15.05           C  
-ATOM    680  CZ3 TRP A  82      74.835  81.949 -16.124  1.00 15.39           C  
-ATOM    681  CH2 TRP A  82      75.403  80.661 -15.938  1.00 15.98           C  
-ATOM    682  N   VAL A  83      74.848  84.038 -11.941  1.00 17.94           N  
-ATOM    683  CA  VAL A  83      76.199  84.327 -12.444  1.00 18.61           C  
-ATOM    684  C   VAL A  83      76.889  82.979 -12.654  1.00 18.51           C  
-ATOM    685  O   VAL A  83      76.662  82.035 -11.896  1.00 18.60           O  
-ATOM    686  CB  VAL A  83      76.938  85.259 -11.435  1.00 19.23           C  
-ATOM    687  CG1 VAL A  83      78.423  85.251 -11.588  1.00 21.15           C  
-ATOM    688  CG2 VAL A  83      76.413  86.702 -11.563  1.00 19.19           C  
-ATOM    689  N   PRO A  84      77.664  82.835 -13.724  1.00 18.72           N  
-ATOM    690  CA  PRO A  84      78.339  81.553 -13.963  1.00 18.66           C  
-ATOM    691  C   PRO A  84      79.286  81.221 -12.802  1.00 18.28           C  
-ATOM    692  O   PRO A  84      79.898  82.135 -12.268  1.00 18.16           O  
-ATOM    693  CB  PRO A  84      79.099  81.751 -15.278  1.00 18.59           C  
-ATOM    694  CG  PRO A  84      78.725  83.115 -15.819  1.00 19.24           C  
-ATOM    695  CD  PRO A  84      77.921  83.844 -14.779  1.00 18.84           C  
-ATOM    696  N   ASP A  85      79.340  79.952 -12.394  1.00 17.42           N  
-ATOM    697  CA  ASP A  85      80.168  79.507 -11.291  1.00 17.47           C  
-ATOM    698  C   ASP A  85      81.619  79.221 -11.759  1.00 17.65           C  
-ATOM    699  O   ASP A  85      82.102  78.058 -11.680  1.00 16.88           O  
-ATOM    700  CB  ASP A  85      79.516  78.262 -10.660  1.00 16.88           C  
-ATOM    701  CG  ASP A  85      79.525  77.059 -11.592  1.00 19.26           C  
-ATOM    702  OD1 ASP A  85      79.443  77.267 -12.839  1.00 18.85           O  
-ATOM    703  OD2 ASP A  85      79.600  75.867 -11.179  1.00 20.08           O  
-ATOM    704  N   LEU A  86      82.265  80.260 -12.311  1.00 16.85           N  
-ATOM    705  CA  LEU A  86      83.619  80.114 -12.843  1.00 17.39           C  
-ATOM    706  C   LEU A  86      84.655  80.004 -11.726  1.00 17.43           C  
-ATOM    707  O   LEU A  86      84.519  80.643 -10.656  1.00 17.39           O  
-ATOM    708  CB  LEU A  86      83.984  81.279 -13.767  1.00 17.03           C  
-ATOM    709  CG  LEU A  86      83.087  81.394 -15.021  1.00 17.31           C  
-ATOM    710  CD1 LEU A  86      83.551  82.554 -15.816  1.00 17.59           C  
-ATOM    711  CD2 LEU A  86      83.096  80.115 -15.865  1.00 15.47           C  
-ATOM    712  N   ALA A  87      85.687  79.208 -11.966  1.00 16.84           N  
-ATOM    713  CA  ALA A  87      86.811  79.162 -11.028  1.00 17.11           C  
-ATOM    714  C   ALA A  87      88.103  78.977 -11.788  1.00 17.24           C  
-ATOM    715  O   ALA A  87      88.125  78.329 -12.848  1.00 17.26           O  
-ATOM    716  CB  ALA A  87      86.612  78.012  -9.983  1.00 16.79           C  
-ATOM    717  N   ALA A  88      89.190  79.531 -11.261  1.00 17.37           N  
-ATOM    718  CA  ALA A  88      90.496  79.282 -11.860  1.00 17.31           C  
-ATOM    719  C   ALA A  88      91.014  77.996 -11.201  1.00 17.82           C  
-ATOM    720  O   ALA A  88      91.109  77.938  -9.974  1.00 17.61           O  
-ATOM    721  CB  ALA A  88      91.404  80.422 -11.607  1.00 17.49           C  
-ATOM    722  N   TYR A  89      91.311  76.969 -12.015  1.00 17.18           N  
-ATOM    723  CA  TYR A  89      91.777  75.647 -11.521  1.00 17.20           C  
-ATOM    724  C   TYR A  89      93.171  75.615 -10.868  1.00 17.05           C  
-ATOM    725  O   TYR A  89      93.470  74.723 -10.075  1.00 17.15           O  
-ATOM    726  CB  TYR A  89      91.806  74.622 -12.647  1.00 17.08           C  
-ATOM    727  CG  TYR A  89      90.451  74.061 -13.036  1.00 18.53           C  
-ATOM    728  CD1 TYR A  89      89.424  74.887 -13.511  1.00 18.69           C  
-ATOM    729  CD2 TYR A  89      90.210  72.666 -12.960  1.00 18.71           C  
-ATOM    730  CE1 TYR A  89      88.191  74.336 -13.880  1.00 21.80           C  
-ATOM    731  CE2 TYR A  89      88.997  72.129 -13.316  1.00 19.35           C  
-ATOM    732  CZ  TYR A  89      87.990  72.941 -13.774  1.00 22.44           C  
-ATOM    733  OH  TYR A  89      86.785  72.368 -14.123  1.00 24.33           O  
-ATOM    734  N   ASN A  90      94.034  76.559 -11.221  1.00 16.24           N  
-ATOM    735  CA  ASN A  90      95.368  76.626 -10.622  1.00 15.66           C  
-ATOM    736  C   ASN A  90      95.515  77.806  -9.631  1.00 15.50           C  
-ATOM    737  O   ASN A  90      96.625  78.238  -9.289  1.00 15.25           O  
-ATOM    738  CB  ASN A  90      96.462  76.599 -11.711  1.00 14.91           C  
-ATOM    739  CG  ASN A  90      96.327  77.728 -12.744  1.00 16.65           C  
-ATOM    740  OD1 ASN A  90      95.198  78.104 -13.154  1.00 16.79           O  
-ATOM    741  ND2 ASN A  90      97.484  78.272 -13.184  1.00 14.69           N  
-ATOM    742  N   ALA A  91      94.387  78.369  -9.185  1.00 15.37           N  
-ATOM    743  CA  ALA A  91      94.445  79.415  -8.179  1.00 15.27           C  
-ATOM    744  C   ALA A  91      94.822  78.779  -6.818  1.00 15.43           C  
-ATOM    745  O   ALA A  91      94.393  77.658  -6.462  1.00 14.42           O  
-ATOM    746  CB  ALA A  91      93.142  80.136  -8.084  1.00 15.42           C  
-ATOM    747  N   ILE A  92      95.652  79.492  -6.079  1.00 15.24           N  
-ATOM    748  CA  ILE A  92      96.095  79.047  -4.773  1.00 16.06           C  
-ATOM    749  C   ILE A  92      95.705  80.059  -3.723  1.00 16.82           C  
-ATOM    750  O   ILE A  92      96.146  79.964  -2.592  1.00 17.05           O  
-ATOM    751  CB  ILE A  92      97.635  78.790  -4.755  1.00 16.45           C  
-ATOM    752  CG1 ILE A  92      98.404  80.089  -5.107  1.00 16.62           C  
-ATOM    753  CG2 ILE A  92      98.012  77.657  -5.700  1.00 15.46           C  
-ATOM    754  CD1 ILE A  92      99.919  80.002  -4.899  1.00 16.04           C  
-ATOM    755  N   SER A  93      94.908  81.047  -4.091  1.00 17.11           N  
-ATOM    756  CA  SER A  93      94.261  81.892  -3.074  1.00 18.69           C  
-ATOM    757  C   SER A  93      92.851  82.155  -3.536  1.00 19.10           C  
-ATOM    758  O   SER A  93      92.513  81.885  -4.696  1.00 19.16           O  
-ATOM    759  CB  SER A  93      94.996  83.219  -2.892  1.00 18.49           C  
-ATOM    760  OG  SER A  93      94.833  84.027  -4.067  1.00 18.80           O  
-ATOM    761  N   LYS A  94      92.025  82.666  -2.637  1.00 19.36           N  
-ATOM    762  CA  LYS A  94      90.690  82.959  -3.109  1.00 21.54           C  
-ATOM    763  C   LYS A  94      90.682  84.274  -3.870  1.00 21.24           C  
-ATOM    764  O   LYS A  94      91.538  85.147  -3.639  1.00 20.77           O  
-ATOM    765  CB  LYS A  94      89.590  82.829  -2.036  1.00 22.66           C  
-ATOM    766  CG  LYS A  94      89.546  83.846  -0.944  1.00 23.33           C  
-ATOM    767  CD  LYS A  94      89.447  83.063   0.380  1.00 27.55           C  
-ATOM    768  CE  LYS A  94      88.003  82.886   0.915  1.00 30.69           C  
-ATOM    769  NZ  LYS A  94      87.999  82.543   2.438  1.00 30.42           N  
-ATOM    770  N   PRO A  95      89.757  84.365  -4.814  1.00 21.50           N  
-ATOM    771  CA  PRO A  95      89.674  85.526  -5.694  1.00 21.75           C  
-ATOM    772  C   PRO A  95      89.246  86.719  -4.824  1.00 22.77           C  
-ATOM    773  O   PRO A  95      88.150  86.711  -4.255  1.00 24.46           O  
-ATOM    774  CB  PRO A  95      88.598  85.160  -6.683  1.00 20.18           C  
-ATOM    775  CG  PRO A  95      87.812  84.037  -6.085  1.00 22.49           C  
-ATOM    776  CD  PRO A  95      88.644  83.408  -5.007  1.00 22.06           C  
-ATOM    777  N   GLU A  96      90.137  87.679  -4.645  1.00 22.50           N  
-ATOM    778  CA  GLU A  96      89.812  88.942  -3.987  1.00 23.00           C  
-ATOM    779  C   GLU A  96      89.210  89.889  -5.036  1.00 22.17           C  
-ATOM    780  O   GLU A  96      89.928  90.331  -5.960  1.00 22.23           O  
-ATOM    781  CB  GLU A  96      91.125  89.522  -3.449  1.00 23.67           C  
-ATOM    782  CG  GLU A  96      91.009  90.671  -2.480  1.00 28.51           C  
-ATOM    783  CD  GLU A  96      92.370  91.106  -1.915  1.00 35.10           C  
-ATOM    784  OE1 GLU A  96      93.294  90.251  -1.809  1.00 38.34           O  
-ATOM    785  OE2 GLU A  96      92.514  92.299  -1.536  1.00 38.22           O  
-ATOM    786  N   VAL A  97      87.908  90.163  -4.945  1.00 21.07           N  
-ATOM    787  CA  VAL A  97      87.236  91.117  -5.821  1.00 19.78           C  
-ATOM    788  C   VAL A  97      87.454  92.547  -5.310  1.00 19.66           C  
-ATOM    789  O   VAL A  97      87.071  92.903  -4.196  1.00 19.08           O  
-ATOM    790  CB  VAL A  97      85.728  90.818  -5.876  1.00 20.57           C  
-ATOM    791  CG1 VAL A  97      85.003  91.736  -6.844  1.00 18.82           C  
-ATOM    792  CG2 VAL A  97      85.461  89.338  -6.196  1.00 19.22           C  
-ATOM    793  N   LEU A  98      88.058  93.374  -6.137  1.00 18.96           N  
-ATOM    794  CA  LEU A  98      88.429  94.711  -5.714  1.00 19.27           C  
-ATOM    795  C   LEU A  98      87.355  95.782  -5.978  1.00 18.97           C  
-ATOM    796  O   LEU A  98      87.461  96.873  -5.449  1.00 19.50           O  
-ATOM    797  CB  LEU A  98      89.747  95.106  -6.378  1.00 19.09           C  
-ATOM    798  CG  LEU A  98      90.905  94.112  -6.246  1.00 19.89           C  
-ATOM    799  CD1 LEU A  98      92.082  94.547  -7.104  1.00 19.35           C  
-ATOM    800  CD2 LEU A  98      91.363  93.970  -4.785  1.00 20.25           C  
-ATOM    801  N   THR A  99      86.331  95.450  -6.771  1.00 18.22           N  
-ATOM    802  CA  THR A  99      85.408  96.421  -7.315  1.00 18.02           C  
-ATOM    803  C   THR A  99      83.987  96.152  -6.823  1.00 18.65           C  
-ATOM    804  O   THR A  99      83.700  94.996  -6.423  1.00 18.95           O  
-ATOM    805  CB  THR A  99      85.439  96.395  -8.858  1.00 17.91           C  
-ATOM    806  OG1 THR A  99      85.519  95.045  -9.340  1.00 16.77           O  
-ATOM    807  CG2 THR A  99      86.691  97.053  -9.386  1.00 16.68           C  
-ATOM    808  N   PRO A 100      83.097  97.167  -6.876  1.00 18.78           N  
-ATOM    809  CA  PRO A 100      81.659  96.953  -6.589  1.00 18.64           C  
-ATOM    810  C   PRO A 100      81.103  95.767  -7.417  1.00 19.01           C  
-ATOM    811  O   PRO A 100      81.370  95.625  -8.611  1.00 18.34           O  
-ATOM    812  CB  PRO A 100      81.000  98.248  -7.049  1.00 18.79           C  
-ATOM    813  CG  PRO A 100      82.122  99.328  -6.901  1.00 19.18           C  
-ATOM    814  CD  PRO A 100      83.391  98.575  -7.244  1.00 18.43           C  
-ATOM    815  N   GLN A 101      80.315  94.937  -6.771  1.00 18.80           N  
-ATOM    816  CA  GLN A 101      79.887  93.687  -7.390  1.00 19.92           C  
-ATOM    817  C   GLN A 101      78.546  93.871  -8.123  1.00 19.16           C  
-ATOM    818  O   GLN A 101      77.514  93.344  -7.710  1.00 19.35           O  
-ATOM    819  CB  GLN A 101      79.869  92.574  -6.336  1.00 19.78           C  
-ATOM    820  CG  GLN A 101      81.244  92.221  -5.871  1.00 23.68           C  
-ATOM    821  CD  GLN A 101      81.271  91.152  -4.755  1.00 28.93           C  
-ATOM    822  OE1 GLN A 101      80.542  90.148  -4.799  1.00 31.81           O  
-ATOM    823  NE2 GLN A 101      82.119  91.367  -3.778  1.00 29.20           N  
-ATOM    824  N   LEU A 102      78.599  94.642  -9.202  1.00 18.57           N  
-ATOM    825  CA  LEU A 102      77.453  94.996 -10.011  1.00 17.80           C  
-ATOM    826  C   LEU A 102      77.691  94.473 -11.399  1.00 17.42           C  
-ATOM    827  O   LEU A 102      78.815  94.604 -11.936  1.00 17.00           O  
-ATOM    828  CB  LEU A 102      77.288  96.524 -10.069  1.00 17.89           C  
-ATOM    829  CG  LEU A 102      77.130  97.261  -8.728  1.00 20.68           C  
-ATOM    830  CD1 LEU A 102      77.011  98.781  -8.956  1.00 21.82           C  
-ATOM    831  CD2 LEU A 102      75.892  96.745  -7.978  1.00 20.55           C  
-ATOM    832  N   ALA A 103      76.644  93.935 -12.007  1.00 16.23           N  
-ATOM    833  CA  ALA A 103      76.696  93.610 -13.423  1.00 16.66           C  
-ATOM    834  C   ALA A 103      75.879  94.600 -14.223  1.00 17.08           C  
-ATOM    835  O   ALA A 103      74.909  95.177 -13.714  1.00 17.98           O  
-ATOM    836  CB  ALA A 103      76.162  92.206 -13.667  1.00 16.18           C  
-ATOM    837  N   ARG A 104      76.233  94.767 -15.484  1.00 16.45           N  
-ATOM    838  CA  ARG A 104      75.452  95.554 -16.382  1.00 16.48           C  
-ATOM    839  C   ARG A 104      74.507  94.651 -17.213  1.00 16.02           C  
-ATOM    840  O   ARG A 104      74.948  93.714 -17.873  1.00 16.50           O  
-ATOM    841  CB  ARG A 104      76.413  96.320 -17.283  1.00 16.52           C  
-ATOM    842  CG  ARG A 104      75.812  97.493 -17.877  1.00 18.14           C  
-ATOM    843  CD  ARG A 104      75.717  98.714 -16.978  1.00 17.92           C  
-ATOM    844  NE  ARG A 104      75.138  99.745 -17.797  1.00 16.33           N  
-ATOM    845  CZ  ARG A 104      74.517 100.828 -17.359  1.00 17.74           C  
-ATOM    846  NH1 ARG A 104      74.384 101.069 -16.050  1.00 13.69           N  
-ATOM    847  NH2 ARG A 104      74.049 101.696 -18.265  1.00 15.41           N  
-ATOM    848  N   VAL A 105      73.218  94.939 -17.177  1.00 15.29           N  
-ATOM    849  CA  VAL A 105      72.205  94.122 -17.834  1.00 14.96           C  
-ATOM    850  C   VAL A 105      71.535  94.957 -18.917  1.00 15.17           C  
-ATOM    851  O   VAL A 105      71.068  96.078 -18.639  1.00 14.97           O  
-ATOM    852  CB  VAL A 105      71.132  93.591 -16.793  1.00 15.12           C  
-ATOM    853  CG1 VAL A 105      70.056  92.753 -17.458  1.00 14.20           C  
-ATOM    854  CG2 VAL A 105      71.798  92.772 -15.726  1.00 14.83           C  
-ATOM    855  N   VAL A 106      71.514  94.421 -20.137  1.00 14.69           N  
-ATOM    856  CA  VAL A 106      70.880  95.075 -21.291  1.00 14.85           C  
-ATOM    857  C   VAL A 106      69.465  94.552 -21.425  1.00 14.82           C  
-ATOM    858  O   VAL A 106      69.181  93.413 -21.035  1.00 14.37           O  
-ATOM    859  CB  VAL A 106      71.708  94.832 -22.601  1.00 15.03           C  
-ATOM    860  CG1 VAL A 106      71.178  95.670 -23.805  1.00 13.77           C  
-ATOM    861  CG2 VAL A 106      73.167  95.187 -22.343  1.00 15.55           C  
-ATOM    862  N   SER A 107      68.574  95.353 -21.989  1.00 15.11           N  
-ATOM    863  CA  SER A 107      67.141  94.964 -22.087  1.00 15.75           C  
-ATOM    864  C   SER A 107      66.829  93.699 -22.880  1.00 16.24           C  
-ATOM    865  O   SER A 107      65.732  93.163 -22.762  1.00 15.90           O  
-ATOM    866  CB  SER A 107      66.315  96.115 -22.658  1.00 15.61           C  
-ATOM    867  OG  SER A 107      66.654  96.318 -24.003  1.00 15.30           O  
-ATOM    868  N   ASP A 108      67.776  93.220 -23.689  1.00 17.22           N  
-ATOM    869  CA  ASP A 108      67.579  91.941 -24.377  1.00 18.09           C  
-ATOM    870  C   ASP A 108      68.043  90.742 -23.542  1.00 17.96           C  
-ATOM    871  O   ASP A 108      67.930  89.594 -23.979  1.00 18.02           O  
-ATOM    872  CB  ASP A 108      68.224  91.932 -25.767  1.00 18.52           C  
-ATOM    873  CG  ASP A 108      69.738  92.081 -25.717  1.00 21.44           C  
-ATOM    874  OD1 ASP A 108      70.329  92.204 -24.610  1.00 23.68           O  
-ATOM    875  OD2 ASP A 108      70.436  92.073 -26.740  1.00 24.65           O  
-ATOM    876  N   GLY A 109      68.539  91.013 -22.342  1.00 17.75           N  
-ATOM    877  CA  GLY A 109      69.001  89.985 -21.429  1.00 17.79           C  
-ATOM    878  C   GLY A 109      70.491  89.714 -21.467  1.00 17.75           C  
-ATOM    879  O   GLY A 109      70.916  88.796 -20.827  1.00 18.19           O  
-ATOM    880  N   GLU A 110      71.271  90.479 -22.229  1.00 18.03           N  
-ATOM    881  CA  GLU A 110      72.749  90.345 -22.189  1.00 18.85           C  
-ATOM    882  C   GLU A 110      73.275  90.912 -20.891  1.00 17.82           C  
-ATOM    883  O   GLU A 110      72.814  91.960 -20.434  1.00 17.80           O  
-ATOM    884  CB  GLU A 110      73.454  91.051 -23.346  1.00 19.14           C  
-ATOM    885  CG  GLU A 110      73.196  90.488 -24.738  1.00 24.43           C  
-ATOM    886  CD  GLU A 110      73.568  89.010 -24.882  1.00 31.36           C  
-ATOM    887  OE1 GLU A 110      74.741  88.629 -24.599  1.00 33.67           O  
-ATOM    888  OE2 GLU A 110      72.676  88.223 -25.296  1.00 34.48           O  
-ATOM    889  N   VAL A 111      74.224  90.200 -20.296  1.00 17.25           N  
-ATOM    890  CA  VAL A 111      74.834  90.575 -19.026  1.00 16.35           C  
-ATOM    891  C   VAL A 111      76.334  90.696 -19.246  1.00 16.94           C  
-ATOM    892  O   VAL A 111      76.910  89.859 -19.921  1.00 16.42           O  
-ATOM    893  CB  VAL A 111      74.556  89.534 -17.933  1.00 16.33           C  
-ATOM    894  CG1 VAL A 111      75.037  90.035 -16.563  1.00 16.04           C  
-ATOM    895  CG2 VAL A 111      73.088  89.242 -17.854  1.00 14.84           C  
-ATOM    896  N   LEU A 112      76.931  91.760 -18.700  1.00 16.58           N  
-ATOM    897  CA  LEU A 112      78.364  91.929 -18.618  1.00 16.85           C  
-ATOM    898  C   LEU A 112      78.717  92.106 -17.145  1.00 17.14           C  
-ATOM    899  O   LEU A 112      78.251  93.048 -16.504  1.00 16.09           O  
-ATOM    900  CB  LEU A 112      78.824  93.170 -19.395  1.00 17.33           C  
-ATOM    901  CG  LEU A 112      80.264  93.669 -19.128  1.00 19.16           C  
-ATOM    902  CD1 LEU A 112      81.289  92.647 -19.548  1.00 16.63           C  
-ATOM    903  CD2 LEU A 112      80.538  94.967 -19.863  1.00 20.17           C  
-ATOM    904  N   TYR A 113      79.502  91.170 -16.608  1.00 17.01           N  
-ATOM    905  CA  TYR A 113      80.024  91.292 -15.259  1.00 17.91           C  
-ATOM    906  C   TYR A 113      81.527  91.326 -15.410  1.00 17.61           C  
-ATOM    907  O   TYR A 113      82.082  90.425 -16.020  1.00 17.47           O  
-ATOM    908  CB  TYR A 113      79.546  90.114 -14.369  1.00 17.84           C  
-ATOM    909  CG  TYR A 113      80.080  90.187 -12.971  1.00 19.10           C  
-ATOM    910  CD1 TYR A 113      80.120  91.411 -12.276  1.00 20.34           C  
-ATOM    911  CD2 TYR A 113      80.613  89.061 -12.352  1.00 20.41           C  
-ATOM    912  CE1 TYR A 113      80.650  91.494 -10.961  1.00 22.03           C  
-ATOM    913  CE2 TYR A 113      81.120  89.126 -11.030  1.00 20.26           C  
-ATOM    914  CZ  TYR A 113      81.136  90.351 -10.355  1.00 22.70           C  
-ATOM    915  OH  TYR A 113      81.623  90.405  -9.079  1.00 26.86           O  
-ATOM    916  N   MET A 114      82.179  92.375 -14.895  1.00 17.57           N  
-ATOM    917  CA  MET A 114      83.625  92.568 -15.091  1.00 17.51           C  
-ATOM    918  C   MET A 114      84.295  93.033 -13.821  1.00 17.12           C  
-ATOM    919  O   MET A 114      84.661  94.217 -13.710  1.00 16.92           O  
-ATOM    920  CB  MET A 114      83.859  93.589 -16.208  1.00 18.44           C  
-ATOM    921  CG  MET A 114      85.305  93.663 -16.727  1.00 21.09           C  
-ATOM    922  SD  MET A 114      85.501  94.432 -18.417  1.00 28.41           S  
-ATOM    923  CE  MET A 114      83.957  94.840 -18.844  1.00 26.74           C  
-ATOM    924  N   PRO A 115      84.450  92.134 -12.851  1.00 16.64           N  
-ATOM    925  CA  PRO A 115      85.111  92.475 -11.601  1.00 16.83           C  
-ATOM    926  C   PRO A 115      86.629  92.577 -11.795  1.00 17.09           C  
-ATOM    927  O   PRO A 115      87.153  91.924 -12.685  1.00 17.01           O  
-ATOM    928  CB  PRO A 115      84.757  91.280 -10.681  1.00 16.89           C  
-ATOM    929  CG  PRO A 115      84.606  90.125 -11.598  1.00 16.33           C  
-ATOM    930  CD  PRO A 115      84.014  90.717 -12.865  1.00 16.82           C  
-ATOM    931  N   SER A 116      87.295  93.426 -11.011  1.00 16.83           N  
-ATOM    932  CA  SER A 116      88.740  93.435 -10.928  1.00 17.01           C  
-ATOM    933  C   SER A 116      89.111  92.479  -9.812  1.00 17.02           C  
-ATOM    934  O   SER A 116      88.641  92.603  -8.699  1.00 16.72           O  
-ATOM    935  CB  SER A 116      89.274  94.807 -10.580  1.00 17.18           C  
-ATOM    936  OG  SER A 116      90.673  94.760 -10.729  1.00 18.99           O  
-ATOM    937  N   ILE A 117      89.949  91.509 -10.125  1.00 17.50           N  
-ATOM    938  CA  ILE A 117      90.267  90.429  -9.171  1.00 17.89           C  
-ATOM    939  C   ILE A 117      91.749  90.388  -8.910  1.00 17.77           C  
-ATOM    940  O   ILE A 117      92.543  90.456  -9.845  1.00 17.57           O  
-ATOM    941  CB  ILE A 117      89.788  89.100  -9.750  1.00 18.19           C  
-ATOM    942  CG1 ILE A 117      88.247  89.077  -9.738  1.00 20.17           C  
-ATOM    943  CG2 ILE A 117      90.347  87.905  -8.935  1.00 18.18           C  
-ATOM    944  CD1 ILE A 117      87.603  87.768 -10.238  1.00 21.02           C  
-ATOM    945  N   ARG A 118      92.119  90.310  -7.635  1.00 17.87           N  
-ATOM    946  CA  ARG A 118      93.477  89.950  -7.263  1.00 17.69           C  
-ATOM    947  C   ARG A 118      93.528  88.505  -6.799  1.00 17.60           C  
-ATOM    948  O   ARG A 118      92.789  88.106  -5.905  1.00 17.44           O  
-ATOM    949  CB  ARG A 118      94.003  90.846  -6.175  1.00 18.14           C  
-ATOM    950  CG  ARG A 118      95.454  90.524  -5.802  1.00 19.65           C  
-ATOM    951  CD  ARG A 118      96.002  91.351  -4.669  1.00 22.98           C  
-ATOM    952  NE  ARG A 118      97.412  91.058  -4.476  1.00 26.19           N  
-ATOM    953  CZ  ARG A 118      98.293  91.879  -3.900  1.00 27.97           C  
-ATOM    954  NH1 ARG A 118      97.907  93.072  -3.439  1.00 27.58           N  
-ATOM    955  NH2 ARG A 118      99.568  91.500  -3.790  1.00 27.14           N  
-ATOM    956  N   GLN A 119      94.405  87.706  -7.403  1.00 17.54           N  
-ATOM    957  CA  GLN A 119      94.463  86.281  -7.051  1.00 17.11           C  
-ATOM    958  C   GLN A 119      95.883  85.750  -7.263  1.00 16.90           C  
-ATOM    959  O   GLN A 119      96.600  86.249  -8.132  1.00 17.05           O  
-ATOM    960  CB  GLN A 119      93.435  85.509  -7.899  1.00 17.18           C  
-ATOM    961  CG  GLN A 119      93.143  84.061  -7.474  1.00 17.66           C  
-ATOM    962  CD  GLN A 119      91.879  83.500  -8.071  1.00 18.22           C  
-ATOM    963  OE1 GLN A 119      91.466  83.882  -9.169  1.00 20.25           O  
-ATOM    964  NE2 GLN A 119      91.230  82.621  -7.327  1.00 18.36           N  
-ATOM    965  N   ARG A 120      96.271  84.720  -6.503  1.00 16.34           N  
-ATOM    966  CA  ARG A 120      97.561  84.037  -6.705  1.00 15.20           C  
-ATOM    967  C   ARG A 120      97.435  82.673  -7.439  1.00 14.55           C  
-ATOM    968  O   ARG A 120      96.520  81.897  -7.167  1.00 13.72           O  
-ATOM    969  CB  ARG A 120      98.341  83.867  -5.384  1.00 15.86           C  
-ATOM    970  CG  ARG A 120      98.936  85.183  -4.761  1.00 17.52           C  
-ATOM    971  CD  ARG A 120      99.825  84.916  -3.519  1.00 22.17           C  
-ATOM    972  NE  ARG A 120      99.003  84.513  -2.375  1.00 30.71           N  
-ATOM    973  CZ  ARG A 120      99.437  84.399  -1.112  1.00 36.29           C  
-ATOM    974  NH1 ARG A 120     100.714  84.653  -0.797  1.00 36.71           N  
-ATOM    975  NH2 ARG A 120      98.586  84.021  -0.158  1.00 36.45           N  
-ATOM    976  N   PHE A 121      98.369  82.408  -8.353  1.00 12.85           N  
-ATOM    977  CA  PHE A 121      98.344  81.192  -9.154  1.00 13.72           C  
-ATOM    978  C   PHE A 121      99.608  80.387  -9.011  1.00 13.76           C  
-ATOM    979  O   PHE A 121     100.669  80.909  -8.749  1.00 11.11           O  
-ATOM    980  CB  PHE A 121      98.083  81.508 -10.635  1.00 13.18           C  
-ATOM    981  CG  PHE A 121      96.831  82.244 -10.838  1.00 13.22           C  
-ATOM    982  CD1 PHE A 121      96.826  83.641 -10.825  1.00 10.23           C  
-ATOM    983  CD2 PHE A 121      95.615  81.550 -10.890  1.00 12.31           C  
-ATOM    984  CE1 PHE A 121      95.626  84.341 -10.960  1.00 12.91           C  
-ATOM    985  CE2 PHE A 121      94.432  82.222 -11.000  1.00 13.11           C  
-ATOM    986  CZ  PHE A 121      94.425  83.649 -11.030  1.00 13.35           C  
-ATOM    987  N   SER A 122      99.448  79.091  -9.207  1.00 16.00           N  
-ATOM    988  CA  SER A 122     100.563  78.198  -9.387  1.00 16.47           C  
-ATOM    989  C   SER A 122     100.722  78.024 -10.907  1.00 17.24           C  
-ATOM    990  O   SER A 122      99.783  77.637 -11.598  1.00 16.75           O  
-ATOM    991  CB  SER A 122     100.241  76.864  -8.709  1.00 16.36           C  
-ATOM    992  OG  SER A 122     101.136  75.835  -9.145  1.00 15.88           O  
-ATOM    993  N   CYS A 123     101.901  78.356 -11.431  1.00 18.20           N  
-ATOM    994  CA  CYS A 123     102.150  78.277 -12.869  1.00 19.98           C  
-ATOM    995  C   CYS A 123     103.636  78.462 -13.161  1.00 19.89           C  
-ATOM    996  O   CYS A 123     104.436  78.769 -12.260  1.00 19.85           O  
-ATOM    997  CB  CYS A 123     101.313  79.292 -13.655  1.00 20.91           C  
-ATOM    998  SG  CYS A 123     101.686  80.981 -13.187  1.00 25.94           S  
-ATOM    999  N   ASP A 124     103.995  78.242 -14.421  1.00 19.92           N  
-ATOM   1000  CA  ASP A 124     105.387  78.226 -14.861  1.00 19.79           C  
-ATOM   1001  C   ASP A 124     105.976  79.651 -14.873  1.00 19.71           C  
-ATOM   1002  O   ASP A 124     105.631  80.473 -15.750  1.00 19.63           O  
-ATOM   1003  CB  ASP A 124     105.481  77.596 -16.252  1.00 19.50           C  
-ATOM   1004  CG  ASP A 124     106.898  77.202 -16.622  1.00 20.41           C  
-ATOM   1005  OD1 ASP A 124     107.834  77.457 -15.822  1.00 19.76           O  
-ATOM   1006  OD2 ASP A 124     107.172  76.635 -17.703  1.00 21.34           O  
-ATOM   1007  N   VAL A 125     106.854  79.928 -13.914  1.00 19.03           N  
-ATOM   1008  CA  VAL A 125     107.460  81.256 -13.788  1.00 18.91           C  
-ATOM   1009  C   VAL A 125     108.885  81.250 -14.379  1.00 18.74           C  
-ATOM   1010  O   VAL A 125     109.562  82.283 -14.432  1.00 18.57           O  
-ATOM   1011  CB  VAL A 125     107.406  81.773 -12.289  1.00 19.27           C  
-ATOM   1012  CG1 VAL A 125     108.120  83.101 -12.116  1.00 19.07           C  
-ATOM   1013  CG2 VAL A 125     105.970  81.898 -11.795  1.00 18.29           C  
-ATOM   1014  N   SER A 126     109.320  80.098 -14.871  1.00 18.29           N  
-ATOM   1015  CA  SER A 126     110.671  79.963 -15.394  1.00 18.53           C  
-ATOM   1016  C   SER A 126     110.887  80.872 -16.622  1.00 18.27           C  
-ATOM   1017  O   SER A 126     110.022  81.005 -17.492  1.00 17.83           O  
-ATOM   1018  CB  SER A 126     111.001  78.503 -15.735  1.00 18.55           C  
-ATOM   1019  OG  SER A 126     110.225  78.076 -16.853  1.00 18.74           O  
-ATOM   1020  N   GLY A 127     112.049  81.504 -16.669  1.00 17.87           N  
-ATOM   1021  CA  GLY A 127     112.366  82.416 -17.743  1.00 17.66           C  
-ATOM   1022  C   GLY A 127     111.880  83.844 -17.546  1.00 17.34           C  
-ATOM   1023  O   GLY A 127     112.081  84.677 -18.420  1.00 17.28           O  
-ATOM   1024  N   VAL A 128     111.265  84.139 -16.410  1.00 17.07           N  
-ATOM   1025  CA  VAL A 128     110.693  85.475 -16.174  1.00 17.25           C  
-ATOM   1026  C   VAL A 128     111.686  86.649 -16.360  1.00 17.07           C  
-ATOM   1027  O   VAL A 128     111.278  87.697 -16.816  1.00 16.99           O  
-ATOM   1028  CB  VAL A 128     109.928  85.578 -14.829  1.00 16.86           C  
-ATOM   1029  CG1 VAL A 128     110.870  85.554 -13.660  1.00 16.81           C  
-ATOM   1030  CG2 VAL A 128     109.076  86.822 -14.790  1.00 17.29           C  
-ATOM   1031  N   ASP A 129     112.961  86.485 -16.008  1.00 15.84           N  
-ATOM   1032  CA  ASP A 129     113.945  87.563 -16.217  1.00 16.17           C  
-ATOM   1033  C   ASP A 129     114.814  87.357 -17.451  1.00 15.41           C  
-ATOM   1034  O   ASP A 129     115.972  87.716 -17.452  1.00 14.84           O  
-ATOM   1035  CB  ASP A 129     114.859  87.776 -14.983  1.00 16.63           C  
-ATOM   1036  CG  ASP A 129     115.323  89.246 -14.808  1.00 17.57           C  
-ATOM   1037  OD1 ASP A 129     114.974  90.138 -15.615  1.00 21.49           O  
-ATOM   1038  OD2 ASP A 129     116.057  89.615 -13.873  1.00 18.36           O  
-ATOM   1039  N   THR A 130     114.275  86.738 -18.483  1.00 15.50           N  
-ATOM   1040  CA  THR A 130     114.972  86.723 -19.759  1.00 16.17           C  
-ATOM   1041  C   THR A 130     114.060  87.445 -20.733  1.00 16.14           C  
-ATOM   1042  O   THR A 130     112.977  87.884 -20.354  1.00 15.49           O  
-ATOM   1043  CB  THR A 130     115.298  85.285 -20.255  1.00 16.33           C  
-ATOM   1044  OG1 THR A 130     114.076  84.570 -20.476  1.00 18.72           O  
-ATOM   1045  CG2 THR A 130     116.067  84.458 -19.183  1.00 15.43           C  
-ATOM   1046  N   GLU A 131     114.514  87.559 -21.974  1.00 16.75           N  
-ATOM   1047  CA  GLU A 131     113.830  88.308 -23.024  1.00 18.00           C  
-ATOM   1048  C   GLU A 131     112.679  87.546 -23.633  1.00 17.68           C  
-ATOM   1049  O   GLU A 131     111.758  88.152 -24.182  1.00 16.91           O  
-ATOM   1050  CB  GLU A 131     114.827  88.675 -24.138  1.00 18.07           C  
-ATOM   1051  CG  GLU A 131     115.985  89.483 -23.624  1.00 21.91           C  
-ATOM   1052  CD  GLU A 131     115.728  90.984 -23.628  1.00 27.45           C  
-ATOM   1053  OE1 GLU A 131     114.619  91.396 -23.207  1.00 28.42           O  
-ATOM   1054  OE2 GLU A 131     116.658  91.755 -24.034  1.00 29.68           O  
-ATOM   1055  N   SER A 132     112.774  86.217 -23.586  1.00 18.34           N  
-ATOM   1056  CA  SER A 132     111.692  85.363 -24.038  1.00 19.08           C  
-ATOM   1057  C   SER A 132     110.576  85.347 -22.988  1.00 18.75           C  
-ATOM   1058  O   SER A 132     109.415  85.072 -23.307  1.00 19.09           O  
-ATOM   1059  CB  SER A 132     112.229  83.955 -24.336  1.00 19.19           C  
-ATOM   1060  OG  SER A 132     112.743  83.362 -23.154  1.00 21.56           O  
-ATOM   1061  N   GLY A 133     110.934  85.646 -21.737  1.00 18.77           N  
-ATOM   1062  CA  GLY A 133     109.976  85.737 -20.640  1.00 17.99           C  
-ATOM   1063  C   GLY A 133     109.412  84.406 -20.173  1.00 18.19           C  
-ATOM   1064  O   GLY A 133     109.789  83.342 -20.678  1.00 17.35           O  
-ATOM   1065  N   ALA A 134     108.502  84.489 -19.203  1.00 18.10           N  
-ATOM   1066  CA  ALA A 134     107.821  83.335 -18.650  1.00 18.71           C  
-ATOM   1067  C   ALA A 134     106.454  83.242 -19.286  1.00 19.19           C  
-ATOM   1068  O   ALA A 134     105.936  84.246 -19.742  1.00 19.19           O  
-ATOM   1069  CB  ALA A 134     107.684  83.479 -17.124  1.00 18.39           C  
-ATOM   1070  N   THR A 135     105.880  82.038 -19.324  1.00 19.92           N  
-ATOM   1071  CA  THR A 135     104.484  81.841 -19.739  1.00 20.98           C  
-ATOM   1072  C   THR A 135     103.638  81.167 -18.649  1.00 21.51           C  
-ATOM   1073  O   THR A 135     103.751  79.965 -18.415  1.00 21.69           O  
-ATOM   1074  CB  THR A 135     104.358  81.095 -21.076  1.00 21.22           C  
-ATOM   1075  OG1 THR A 135     105.055  81.831 -22.097  1.00 24.08           O  
-ATOM   1076  CG2 THR A 135     102.912  81.148 -21.573  1.00 20.50           C  
-ATOM   1077  N   CYS A 136     102.807  81.970 -17.995  1.00 21.57           N  
-ATOM   1078  CA  CYS A 136     101.921  81.518 -16.945  1.00 22.97           C  
-ATOM   1079  C   CYS A 136     100.546  81.222 -17.576  1.00 22.48           C  
-ATOM   1080  O   CYS A 136      99.975  82.064 -18.267  1.00 22.44           O  
-ATOM   1081  CB  CYS A 136     101.828  82.602 -15.867  1.00 22.30           C  
-ATOM   1082  SG  CYS A 136     100.705  82.256 -14.488  1.00 32.31           S  
-ATOM   1083  N   ARG A 137     100.062  79.998 -17.381  1.00 22.22           N  
-ATOM   1084  CA  ARG A 137      98.798  79.554 -17.939  1.00 21.76           C  
-ATOM   1085  C   ARG A 137      97.737  79.580 -16.852  1.00 20.82           C  
-ATOM   1086  O   ARG A 137      97.920  78.995 -15.792  1.00 20.46           O  
-ATOM   1087  CB  ARG A 137      98.909  78.123 -18.478  1.00 22.30           C  
-ATOM   1088  CG  ARG A 137      99.848  77.894 -19.680  1.00 27.55           C  
-ATOM   1089  CD  ARG A 137      99.784  76.455 -20.308  1.00 34.46           C  
-ATOM   1090  NE  ARG A 137      98.958  75.526 -19.506  1.00 38.89           N  
-ATOM   1091  CZ  ARG A 137      99.446  74.521 -18.771  1.00 42.08           C  
-ATOM   1092  NH1 ARG A 137     100.759  74.285 -18.738  1.00 41.37           N  
-ATOM   1093  NH2 ARG A 137      98.619  73.748 -18.062  1.00 43.48           N  
-ATOM   1094  N   ILE A 138      96.624  80.248 -17.119  1.00 19.32           N  
-ATOM   1095  CA  ILE A 138      95.540  80.295 -16.142  1.00 18.62           C  
-ATOM   1096  C   ILE A 138      94.312  79.585 -16.737  1.00 18.29           C  
-ATOM   1097  O   ILE A 138      93.869  79.915 -17.847  1.00 17.87           O  
-ATOM   1098  CB  ILE A 138      95.210  81.772 -15.706  1.00 17.63           C  
-ATOM   1099  CG1 ILE A 138      96.380  82.419 -14.942  1.00 14.50           C  
-ATOM   1100  CG2 ILE A 138      93.896  81.828 -14.942  1.00 14.08           C  
-ATOM   1101  CD1 ILE A 138      96.321  84.024 -14.961  1.00 16.42           C  
-ATOM   1102  N   LYS A 139      93.788  78.612 -16.001  1.00 17.31           N  
-ATOM   1103  CA  LYS A 139      92.729  77.755 -16.512  1.00 17.12           C  
-ATOM   1104  C   LYS A 139      91.415  78.090 -15.788  1.00 17.08           C  
-ATOM   1105  O   LYS A 139      91.311  77.916 -14.568  1.00 17.03           O  
-ATOM   1106  CB  LYS A 139      93.143  76.289 -16.299  1.00 16.45           C  
-ATOM   1107  CG  LYS A 139      92.131  75.243 -16.785  1.00 17.21           C  
-ATOM   1108  CD  LYS A 139      92.586  73.814 -16.435  1.00 17.13           C  
-ATOM   1109  CE  LYS A 139      91.388  72.869 -16.423  1.00 17.73           C  
-ATOM   1110  NZ  LYS A 139      91.753  71.519 -15.948  1.00 21.32           N  
-ATOM   1111  N   ILE A 140      90.424  78.570 -16.536  1.00 16.85           N  
-ATOM   1112  CA  ILE A 140      89.153  79.014 -15.967  1.00 16.72           C  
-ATOM   1113  C   ILE A 140      87.998  78.248 -16.599  1.00 16.06           C  
-ATOM   1114  O   ILE A 140      87.938  78.114 -17.804  1.00 16.10           O  
-ATOM   1115  CB  ILE A 140      88.978  80.581 -16.133  1.00 17.90           C  
-ATOM   1116  CG1 ILE A 140      89.832  81.353 -15.098  1.00 19.87           C  
-ATOM   1117  CG2 ILE A 140      87.522  81.027 -15.954  1.00 16.31           C  
-ATOM   1118  CD1 ILE A 140      90.014  82.879 -15.455  1.00 22.62           C  
-ATOM   1119  N   GLY A 141      87.091  77.730 -15.776  1.00 14.82           N  
-ATOM   1120  CA  GLY A 141      85.931  77.045 -16.286  1.00 14.60           C  
-ATOM   1121  C   GLY A 141      84.848  76.941 -15.259  1.00 14.70           C  
-ATOM   1122  O   GLY A 141      85.089  77.254 -14.090  1.00 15.10           O  
-ATOM   1123  N   SER A 142      83.666  76.480 -15.655  1.00 14.15           N  
-ATOM   1124  CA  SER A 142      82.605  76.246 -14.670  1.00 13.55           C  
-ATOM   1125  C   SER A 142      83.029  75.152 -13.713  1.00 13.58           C  
-ATOM   1126  O   SER A 142      83.549  74.089 -14.137  1.00 13.27           O  
-ATOM   1127  CB  SER A 142      81.310  75.821 -15.324  1.00 13.81           C  
-ATOM   1128  OG  SER A 142      80.329  75.530 -14.332  1.00 13.99           O  
-ATOM   1129  N   TRP A 143      82.808  75.391 -12.427  1.00 12.40           N  
-ATOM   1130  CA  TRP A 143      83.165  74.414 -11.426  1.00 12.20           C  
-ATOM   1131  C   TRP A 143      82.243  73.197 -11.421  1.00 12.19           C  
-ATOM   1132  O   TRP A 143      82.690  72.109 -11.160  1.00 12.22           O  
-ATOM   1133  CB  TRP A 143      83.251  75.059 -10.019  1.00 11.48           C  
-ATOM   1134  CG  TRP A 143      84.041  74.213  -9.057  1.00 13.25           C  
-ATOM   1135  CD1 TRP A 143      83.561  73.579  -7.969  1.00 13.69           C  
-ATOM   1136  CD2 TRP A 143      85.441  73.826  -9.153  1.00 12.81           C  
-ATOM   1137  NE1 TRP A 143      84.551  72.849  -7.355  1.00 12.56           N  
-ATOM   1138  CE2 TRP A 143      85.717  72.980  -8.047  1.00 11.89           C  
-ATOM   1139  CE3 TRP A 143      86.482  74.136 -10.033  1.00 10.15           C  
-ATOM   1140  CZ2 TRP A 143      86.989  72.429  -7.801  1.00 11.90           C  
-ATOM   1141  CZ3 TRP A 143      87.760  73.616  -9.783  1.00 10.55           C  
-ATOM   1142  CH2 TRP A 143      87.998  72.756  -8.688  1.00 11.59           C  
-ATOM   1143  N   THR A 144      80.939  73.407 -11.652  1.00 12.17           N  
-ATOM   1144  CA  THR A 144      79.943  72.353 -11.505  1.00 11.45           C  
-ATOM   1145  C   THR A 144      79.045  72.133 -12.721  1.00 11.34           C  
-ATOM   1146  O   THR A 144      78.188  71.262 -12.684  1.00 11.30           O  
-ATOM   1147  CB  THR A 144      79.037  72.675 -10.259  1.00 13.13           C  
-ATOM   1148  OG1 THR A 144      78.140  73.753 -10.598  1.00  8.66           O  
-ATOM   1149  CG2 THR A 144      79.854  73.265  -9.154  1.00 11.70           C  
-ATOM   1150  N   HIS A 145      79.188  72.927 -13.781  1.00 11.24           N  
-ATOM   1151  CA  HIS A 145      78.331  72.741 -14.957  1.00 10.87           C  
-ATOM   1152  C   HIS A 145      79.111  72.163 -16.143  1.00 11.04           C  
-ATOM   1153  O   HIS A 145      80.022  72.787 -16.659  1.00 11.81           O  
-ATOM   1154  CB  HIS A 145      77.673  74.074 -15.319  1.00 10.60           C  
-ATOM   1155  CG  HIS A 145      76.627  74.526 -14.354  1.00  7.81           C  
-ATOM   1156  ND1 HIS A 145      75.301  74.152 -14.465  1.00  8.47           N  
-ATOM   1157  CD2 HIS A 145      76.682  75.402 -13.319  1.00 10.73           C  
-ATOM   1158  CE1 HIS A 145      74.595  74.733 -13.503  1.00  9.85           C  
-ATOM   1159  NE2 HIS A 145      75.412  75.480 -12.780  1.00  7.98           N  
-ATOM   1160  N   HIS A 146      78.794  70.948 -16.569  1.00 11.02           N  
-ATOM   1161  CA  HIS A 146      79.459  70.362 -17.729  1.00 11.25           C  
-ATOM   1162  C   HIS A 146      79.056  71.026 -19.042  1.00 11.42           C  
-ATOM   1163  O   HIS A 146      78.278  71.985 -19.043  1.00 11.38           O  
-ATOM   1164  CB  HIS A 146      79.260  68.838 -17.796  1.00 11.63           C  
-ATOM   1165  CG  HIS A 146      77.837  68.408 -17.747  1.00 10.85           C  
-ATOM   1166  ND1 HIS A 146      76.932  68.735 -18.735  1.00 11.55           N  
-ATOM   1167  CD2 HIS A 146      77.158  67.667 -16.830  1.00  9.29           C  
-ATOM   1168  CE1 HIS A 146      75.755  68.209 -18.430  1.00 12.32           C  
-ATOM   1169  NE2 HIS A 146      75.869  67.543 -17.288  1.00  9.18           N  
-ATOM   1170  N   SER A 147      79.605  70.516 -20.142  1.00 11.58           N  
-ATOM   1171  CA  SER A 147      79.504  71.172 -21.449  1.00 12.02           C  
-ATOM   1172  C   SER A 147      78.102  71.257 -22.055  1.00 11.91           C  
-ATOM   1173  O   SER A 147      77.862  72.047 -22.933  1.00 12.49           O  
-ATOM   1174  CB  SER A 147      80.509  70.601 -22.436  1.00 12.05           C  
-ATOM   1175  OG  SER A 147      80.265  69.239 -22.678  1.00 14.11           O  
-ATOM   1176  N   ARG A 148      77.162  70.472 -21.555  1.00 12.46           N  
-ATOM   1177  CA  ARG A 148      75.786  70.594 -22.026  1.00 12.90           C  
-ATOM   1178  C   ARG A 148      75.034  71.718 -21.300  1.00 12.83           C  
-ATOM   1179  O   ARG A 148      73.908  72.048 -21.667  1.00 12.80           O  
-ATOM   1180  CB  ARG A 148      75.058  69.248 -21.921  1.00 13.72           C  
-ATOM   1181  CG  ARG A 148      75.650  68.164 -22.813  1.00 14.94           C  
-ATOM   1182  CD  ARG A 148      74.853  66.831 -22.788  1.00 25.16           C  
-ATOM   1183  NE  ARG A 148      75.178  65.933 -21.658  1.00 28.24           N  
-ATOM   1184  CZ  ARG A 148      74.333  65.618 -20.656  1.00 30.48           C  
-ATOM   1185  NH1 ARG A 148      73.095  66.121 -20.622  1.00 30.02           N  
-ATOM   1186  NH2 ARG A 148      74.728  64.797 -19.677  1.00 28.91           N  
-ATOM   1187  N   GLU A 149      75.679  72.320 -20.293  1.00 12.41           N  
-ATOM   1188  CA  GLU A 149      75.033  73.317 -19.459  1.00 12.50           C  
-ATOM   1189  C   GLU A 149      75.723  74.673 -19.581  1.00 12.72           C  
-ATOM   1190  O   GLU A 149      75.050  75.705 -19.662  1.00 12.44           O  
-ATOM   1191  CB  GLU A 149      74.984  72.819 -18.015  1.00 13.47           C  
-ATOM   1192  CG  GLU A 149      73.989  71.674 -17.805  1.00 12.23           C  
-ATOM   1193  CD  GLU A 149      74.025  71.063 -16.398  1.00 14.85           C  
-ATOM   1194  OE1 GLU A 149      74.617  71.664 -15.483  1.00 16.01           O  
-ATOM   1195  OE2 GLU A 149      73.456  69.953 -16.196  1.00 17.10           O  
-ATOM   1196  N   ILE A 150      77.063  74.663 -19.606  1.00 12.78           N  
-ATOM   1197  CA  ILE A 150      77.853  75.851 -19.819  1.00 13.31           C  
-ATOM   1198  C   ILE A 150      78.971  75.548 -20.814  1.00 14.93           C  
-ATOM   1199  O   ILE A 150      79.731  74.582 -20.623  1.00 15.10           O  
-ATOM   1200  CB  ILE A 150      78.444  76.357 -18.482  1.00 11.96           C  
-ATOM   1201  CG1 ILE A 150      77.365  77.031 -17.645  1.00 12.87           C  
-ATOM   1202  CG2 ILE A 150      79.564  77.277 -18.686  1.00  9.57           C  
-ATOM   1203  CD1 ILE A 150      77.879  77.545 -16.294  1.00  9.73           C  
-ATOM   1204  N   SER A 151      79.035  76.338 -21.895  1.00 15.92           N  
-ATOM   1205  CA  SER A 151      80.246  76.399 -22.687  1.00 17.78           C  
-ATOM   1206  C   SER A 151      80.983  77.696 -22.363  1.00 19.11           C  
-ATOM   1207  O   SER A 151      80.357  78.722 -22.033  1.00 19.12           O  
-ATOM   1208  CB  SER A 151      79.999  76.211 -24.191  1.00 17.10           C  
-ATOM   1209  OG  SER A 151      79.018  77.067 -24.685  1.00 18.98           O  
-ATOM   1210  N   VAL A 152      82.308  77.623 -22.393  1.00 20.59           N  
-ATOM   1211  CA  VAL A 152      83.138  78.791 -22.129  1.00 22.56           C  
-ATOM   1212  C   VAL A 152      83.976  79.035 -23.355  1.00 24.45           C  
-ATOM   1213  O   VAL A 152      84.560  78.121 -23.925  1.00 24.61           O  
-ATOM   1214  CB  VAL A 152      84.018  78.685 -20.839  1.00 21.53           C  
-ATOM   1215  CG1 VAL A 152      83.195  78.962 -19.586  1.00 22.64           C  
-ATOM   1216  CG2 VAL A 152      84.668  77.366 -20.736  1.00 20.56           C  
-ATOM   1217  N   ASP A 153      83.998  80.277 -23.778  1.00 25.94           N  
-ATOM   1218  CA  ASP A 153      84.577  80.600 -25.048  1.00 28.14           C  
-ATOM   1219  C   ASP A 153      85.372  81.874 -24.848  1.00 28.41           C  
-ATOM   1220  O   ASP A 153      84.872  82.814 -24.257  1.00 28.75           O  
-ATOM   1221  CB  ASP A 153      83.468  80.779 -26.084  1.00 28.76           C  
-ATOM   1222  CG  ASP A 153      82.471  79.609 -26.084  1.00 33.47           C  
-ATOM   1223  OD1 ASP A 153      82.847  78.579 -26.708  1.00 31.01           O  
-ATOM   1224  OD2 ASP A 153      81.325  79.625 -25.478  1.00 36.08           O  
-ATOM   1225  N   PRO A 154      86.607  81.896 -25.334  1.00 29.08           N  
-ATOM   1226  CA  PRO A 154      87.395  83.131 -25.332  1.00 29.54           C  
-ATOM   1227  C   PRO A 154      86.828  84.074 -26.380  1.00 30.61           C  
-ATOM   1228  O   PRO A 154      86.356  83.630 -27.421  1.00 30.72           O  
-ATOM   1229  CB  PRO A 154      88.784  82.680 -25.774  1.00 28.97           C  
-ATOM   1230  CG  PRO A 154      88.618  81.317 -26.379  1.00 29.20           C  
-ATOM   1231  CD  PRO A 154      87.291  80.761 -25.994  1.00 28.58           C  
-ATOM   1232  N   THR A 155      86.869  85.364 -26.111  1.00 32.16           N  
-ATOM   1233  CA  THR A 155      86.572  86.347 -27.143  1.00 33.71           C  
-ATOM   1234  C   THR A 155      87.713  87.358 -27.253  1.00 34.61           C  
-ATOM   1235  O   THR A 155      88.414  87.608 -26.279  1.00 35.03           O  
-ATOM   1236  CB  THR A 155      85.215  87.012 -26.886  1.00 33.49           C  
-ATOM   1237  OG1 THR A 155      84.912  87.902 -27.969  1.00 34.48           O  
-ATOM   1238  CG2 THR A 155      85.267  87.913 -25.644  1.00 34.48           C  
-ATOM   1239  N   THR A 156      87.903  87.913 -28.444  1.00 35.90           N  
-ATOM   1240  CA  THR A 156      89.026  88.799 -28.735  1.00 37.43           C  
-ATOM   1241  C   THR A 156      88.555  90.174 -29.180  1.00 38.55           C  
-ATOM   1242  O   THR A 156      87.549  90.307 -29.885  1.00 38.66           O  
-ATOM   1243  CB  THR A 156      89.909  88.185 -29.852  1.00 37.23           C  
-ATOM   1244  OG1 THR A 156      90.396  86.904 -29.429  1.00 37.59           O  
-ATOM   1245  CG2 THR A 156      91.191  88.987 -30.062  1.00 36.58           C  
-ATOM   1246  N   GLU A 157      89.287  91.191 -28.748  1.00 40.15           N  
-ATOM   1247  CA  GLU A 157      89.212  92.524 -29.346  1.00 41.94           C  
-ATOM   1248  C   GLU A 157      90.574  92.829 -30.004  1.00 42.15           C  
-ATOM   1249  O   GLU A 157      91.568  92.124 -29.757  1.00 42.48           O  
-ATOM   1250  CB  GLU A 157      88.843  93.566 -28.273  1.00 42.50           C  
-ATOM   1251  CG  GLU A 157      87.342  93.864 -28.142  1.00 45.19           C  
-ATOM   1252  CD  GLU A 157      86.715  93.479 -26.783  1.00 48.41           C  
-ATOM   1253  OE1 GLU A 157      85.528  93.057 -26.775  1.00 48.60           O  
-ATOM   1254  OE2 GLU A 157      87.378  93.601 -25.714  1.00 49.10           O  
-ATOM   1255  N   ASN A 158      90.627  93.859 -30.844  1.00 42.39           N  
-ATOM   1256  CA  ASN A 158      91.880  94.257 -31.490  1.00 42.54           C  
-ATOM   1257  C   ASN A 158      92.802  95.072 -30.586  1.00 42.24           C  
-ATOM   1258  O   ASN A 158      93.870  95.518 -31.017  1.00 41.90           O  
-ATOM   1259  CB  ASN A 158      91.589  95.046 -32.774  1.00 43.08           C  
-ATOM   1260  CG  ASN A 158      91.019  94.168 -33.889  1.00 44.11           C  
-ATOM   1261  OD1 ASN A 158      89.895  93.642 -33.784  1.00 43.12           O  
-ATOM   1262  ND2 ASN A 158      91.797  94.001 -34.963  1.00 44.29           N  
-ATOM   1263  N   SER A 159      92.380  95.266 -29.336  1.00 42.02           N  
-ATOM   1264  CA  SER A 159      93.136  96.066 -28.377  1.00 41.76           C  
-ATOM   1265  C   SER A 159      94.453  95.388 -27.976  1.00 40.79           C  
-ATOM   1266  O   SER A 159      94.556  94.155 -28.016  1.00 41.15           O  
-ATOM   1267  CB  SER A 159      92.274  96.420 -27.151  1.00 42.01           C  
-ATOM   1268  OG  SER A 159      92.201  95.374 -26.185  1.00 44.18           O  
-ATOM   1269  N   ASP A 160      95.456  96.206 -27.642  1.00 39.24           N  
-ATOM   1270  CA  ASP A 160      96.740  95.741 -27.114  1.00 37.60           C  
-ATOM   1271  C   ASP A 160      96.522  95.129 -25.716  1.00 35.74           C  
-ATOM   1272  O   ASP A 160      95.655  95.575 -24.947  1.00 34.88           O  
-ATOM   1273  CB  ASP A 160      97.760  96.907 -27.096  1.00 38.31           C  
-ATOM   1274  CG  ASP A 160      99.130  96.515 -26.483  1.00 40.49           C  
-ATOM   1275  OD1 ASP A 160      99.848  95.681 -27.091  1.00 43.35           O  
-ATOM   1276  OD2 ASP A 160      99.578  97.002 -25.410  1.00 40.07           O  
-ATOM   1277  N   ASP A 161      97.297  94.092 -25.402  1.00 33.79           N  
-ATOM   1278  CA  ASP A 161      97.086  93.329 -24.163  1.00 31.83           C  
-ATOM   1279  C   ASP A 161      97.429  94.192 -22.957  1.00 29.63           C  
-ATOM   1280  O   ASP A 161      97.041  93.891 -21.854  1.00 29.42           O  
-ATOM   1281  CB  ASP A 161      97.928  92.044 -24.139  1.00 31.79           C  
-ATOM   1282  CG  ASP A 161      97.641  91.095 -25.321  1.00 32.87           C  
-ATOM   1283  OD1 ASP A 161      96.478  90.640 -25.482  1.00 32.57           O  
-ATOM   1284  OD2 ASP A 161      98.550  90.729 -26.117  1.00 32.59           O  
-ATOM   1285  N   SER A 162      98.174  95.264 -23.205  1.00 27.85           N  
-ATOM   1286  CA  SER A 162      98.695  96.170 -22.184  1.00 25.68           C  
-ATOM   1287  C   SER A 162      97.845  97.449 -22.044  1.00 25.03           C  
-ATOM   1288  O   SER A 162      98.199  98.338 -21.266  1.00 25.04           O  
-ATOM   1289  CB  SER A 162     100.151  96.558 -22.516  1.00 25.11           C  
-ATOM   1290  OG  SER A 162     101.091  95.675 -21.937  1.00 22.58           O  
-ATOM   1291  N   GLU A 163      96.737  97.537 -22.783  1.00 24.05           N  
-ATOM   1292  CA  GLU A 163      95.947  98.771 -22.854  1.00 24.05           C  
-ATOM   1293  C   GLU A 163      95.698  99.324 -21.454  1.00 23.38           C  
-ATOM   1294  O   GLU A 163      95.891 100.518 -21.177  1.00 22.63           O  
-ATOM   1295  CB  GLU A 163      94.617  98.532 -23.582  1.00 24.74           C  
-ATOM   1296  CG  GLU A 163      93.976  99.809 -24.121  1.00 28.60           C  
-ATOM   1297  CD  GLU A 163      92.879  99.580 -25.171  1.00 36.42           C  
-ATOM   1298  OE1 GLU A 163      91.867  98.897 -24.819  1.00 37.11           O  
-ATOM   1299  OE2 GLU A 163      93.010 100.115 -26.332  1.00 35.87           O  
-ATOM   1300  N   TYR A 164      95.302  98.422 -20.571  1.00 21.82           N  
-ATOM   1301  CA  TYR A 164      95.127  98.739 -19.173  1.00 22.05           C  
-ATOM   1302  C   TYR A 164      96.214  98.162 -18.247  1.00 20.83           C  
-ATOM   1303  O   TYR A 164      96.056  98.275 -17.064  1.00 20.28           O  
-ATOM   1304  CB  TYR A 164      93.738  98.277 -18.709  1.00 21.73           C  
-ATOM   1305  CG  TYR A 164      92.705  98.457 -19.775  1.00 25.89           C  
-ATOM   1306  CD1 TYR A 164      92.496  99.729 -20.327  1.00 30.20           C  
-ATOM   1307  CD2 TYR A 164      91.989  97.376 -20.299  1.00 25.88           C  
-ATOM   1308  CE1 TYR A 164      91.595  99.934 -21.328  1.00 32.86           C  
-ATOM   1309  CE2 TYR A 164      91.070  97.575 -21.324  1.00 31.39           C  
-ATOM   1310  CZ  TYR A 164      90.876  98.874 -21.819  1.00 34.27           C  
-ATOM   1311  OH  TYR A 164      89.988  99.185 -22.823  1.00 40.35           O  
-ATOM   1312  N   PHE A 165      97.276  97.532 -18.762  1.00 21.36           N  
-ATOM   1313  CA  PHE A 165      98.330  97.044 -17.874  1.00 19.79           C  
-ATOM   1314  C   PHE A 165      99.044  98.261 -17.313  1.00 19.18           C  
-ATOM   1315  O   PHE A 165      99.361  99.222 -18.041  1.00 18.74           O  
-ATOM   1316  CB  PHE A 165      99.301  96.079 -18.562  1.00 19.39           C  
-ATOM   1317  CG  PHE A 165     100.204  95.337 -17.613  1.00 18.63           C  
-ATOM   1318  CD1 PHE A 165      99.709  94.337 -16.774  1.00 17.56           C  
-ATOM   1319  CD2 PHE A 165     101.575  95.607 -17.595  1.00 17.40           C  
-ATOM   1320  CE1 PHE A 165     100.582  93.628 -15.904  1.00 18.07           C  
-ATOM   1321  CE2 PHE A 165     102.441  94.928 -16.733  1.00 17.40           C  
-ATOM   1322  CZ  PHE A 165     101.942  93.933 -15.879  1.00 17.44           C  
-ATOM   1323  N   SER A 166      99.267  98.248 -16.009  1.00 17.84           N  
-ATOM   1324  CA  SER A 166     100.016  99.317 -15.339  1.00 17.69           C  
-ATOM   1325  C   SER A 166     101.435  99.582 -15.855  1.00 17.01           C  
-ATOM   1326  O   SER A 166     102.260  98.684 -15.873  1.00 16.30           O  
-ATOM   1327  CB  SER A 166     100.077  99.035 -13.826  1.00 17.45           C  
-ATOM   1328  OG  SER A 166     100.832 100.034 -13.145  1.00 17.51           O  
-ATOM   1329  N   GLN A 167     101.709 100.831 -16.228  1.00 17.28           N  
-ATOM   1330  CA  GLN A 167     103.051 101.224 -16.714  1.00 17.82           C  
-ATOM   1331  C   GLN A 167     104.069 101.279 -15.556  1.00 17.61           C  
-ATOM   1332  O   GLN A 167     105.274 101.476 -15.763  1.00 17.22           O  
-ATOM   1333  CB  GLN A 167     102.998 102.577 -17.429  1.00 18.33           C  
-ATOM   1334  CG  GLN A 167     102.704 103.738 -16.484  1.00 19.96           C  
-ATOM   1335  CD  GLN A 167     102.492 105.070 -17.191  1.00 22.62           C  
-ATOM   1336  OE1 GLN A 167     103.447 105.682 -17.660  1.00 22.84           O  
-ATOM   1337  NE2 GLN A 167     101.228 105.527 -17.245  1.00 22.42           N  
-ATOM   1338  N   TYR A 168     103.566 101.084 -14.339  1.00 17.48           N  
-ATOM   1339  CA  TYR A 168     104.379 101.163 -13.127  1.00 17.30           C  
-ATOM   1340  C   TYR A 168     104.669  99.806 -12.520  1.00 16.89           C  
-ATOM   1341  O   TYR A 168     105.399  99.695 -11.559  1.00 17.04           O  
-ATOM   1342  CB  TYR A 168     103.727 102.070 -12.082  1.00 17.34           C  
-ATOM   1343  CG  TYR A 168     103.463 103.471 -12.606  1.00 17.41           C  
-ATOM   1344  CD1 TYR A 168     104.495 104.272 -13.073  1.00 17.08           C  
-ATOM   1345  CD2 TYR A 168     102.162 103.968 -12.681  1.00 17.49           C  
-ATOM   1346  CE1 TYR A 168     104.245 105.551 -13.581  1.00 18.10           C  
-ATOM   1347  CE2 TYR A 168     101.897 105.258 -13.188  1.00 16.84           C  
-ATOM   1348  CZ  TYR A 168     102.939 106.023 -13.636  1.00 17.77           C  
-ATOM   1349  OH  TYR A 168     102.685 107.270 -14.128  1.00 19.39           O  
-ATOM   1350  N   SER A 169     104.102  98.761 -13.094  1.00 16.24           N  
-ATOM   1351  CA  SER A 169     104.561  97.419 -12.819  1.00 16.06           C  
-ATOM   1352  C   SER A 169     106.060  97.202 -13.102  1.00 15.96           C  
-ATOM   1353  O   SER A 169     106.640  97.889 -13.919  1.00 15.65           O  
-ATOM   1354  CB  SER A 169     103.727  96.422 -13.632  1.00 16.07           C  
-ATOM   1355  OG  SER A 169     104.068  95.106 -13.278  1.00 15.32           O  
-ATOM   1356  N   ARG A 170     106.645  96.232 -12.400  1.00 16.29           N  
-ATOM   1357  CA  ARG A 170     108.022  95.778 -12.595  1.00 16.92           C  
-ATOM   1358  C   ARG A 170     108.123  94.793 -13.753  1.00 15.97           C  
-ATOM   1359  O   ARG A 170     109.216  94.388 -14.167  1.00 15.33           O  
-ATOM   1360  CB  ARG A 170     108.457  95.029 -11.347  1.00 17.49           C  
-ATOM   1361  CG  ARG A 170     109.355  95.788 -10.402  1.00 20.45           C  
-ATOM   1362  CD  ARG A 170     109.811  94.890  -9.236  1.00 23.95           C  
-ATOM   1363  NE  ARG A 170     108.659  94.154  -8.704  1.00 26.50           N  
-ATOM   1364  CZ  ARG A 170     108.732  93.066  -7.921  1.00 27.58           C  
-ATOM   1365  NH1 ARG A 170     109.927  92.567  -7.566  1.00 25.15           N  
-ATOM   1366  NH2 ARG A 170     107.596  92.487  -7.486  1.00 25.18           N  
-ATOM   1367  N   PHE A 171     106.955  94.383 -14.236  1.00 15.38           N  
-ATOM   1368  CA  PHE A 171     106.836  93.437 -15.352  1.00 15.16           C  
-ATOM   1369  C   PHE A 171     106.178  94.091 -16.562  1.00 15.48           C  
-ATOM   1370  O   PHE A 171     105.509  95.111 -16.425  1.00 15.45           O  
-ATOM   1371  CB  PHE A 171     106.063  92.191 -14.918  1.00 14.06           C  
-ATOM   1372  CG  PHE A 171     106.592  91.590 -13.667  1.00 14.78           C  
-ATOM   1373  CD1 PHE A 171     106.208  92.087 -12.437  1.00 14.56           C  
-ATOM   1374  CD2 PHE A 171     107.495  90.540 -13.717  1.00 16.47           C  
-ATOM   1375  CE1 PHE A 171     106.716  91.575 -11.290  1.00 15.34           C  
-ATOM   1376  CE2 PHE A 171     108.003  90.000 -12.551  1.00 17.20           C  
-ATOM   1377  CZ  PHE A 171     107.624  90.541 -11.331  1.00 16.40           C  
-ATOM   1378  N   GLU A 172     106.432  93.515 -17.733  1.00 16.04           N  
-ATOM   1379  CA  GLU A 172     105.797  93.900 -18.976  1.00 17.08           C  
-ATOM   1380  C   GLU A 172     105.210  92.642 -19.614  1.00 17.61           C  
-ATOM   1381  O   GLU A 172     105.724  91.527 -19.425  1.00 17.58           O  
-ATOM   1382  CB  GLU A 172     106.775  94.600 -19.922  1.00 17.17           C  
-ATOM   1383  CG  GLU A 172     108.036  93.818 -20.277  1.00 18.94           C  
-ATOM   1384  CD  GLU A 172     108.980  94.586 -21.192  1.00 22.45           C  
-ATOM   1385  OE1 GLU A 172     108.536  95.567 -21.807  1.00 25.19           O  
-ATOM   1386  OE2 GLU A 172     110.176  94.225 -21.305  1.00 22.96           O  
-ATOM   1387  N   ILE A 173     104.103  92.826 -20.333  1.00 17.94           N  
-ATOM   1388  CA  ILE A 173     103.430  91.738 -21.017  1.00 18.18           C  
-ATOM   1389  C   ILE A 173     103.916  91.682 -22.443  1.00 18.55           C  
-ATOM   1390  O   ILE A 173     103.938  92.694 -23.135  1.00 18.66           O  
-ATOM   1391  CB  ILE A 173     101.927  91.955 -20.953  1.00 18.33           C  
-ATOM   1392  CG1 ILE A 173     101.467  91.837 -19.499  1.00 18.77           C  
-ATOM   1393  CG2 ILE A 173     101.185  90.975 -21.866  1.00 18.24           C  
-ATOM   1394  CD1 ILE A 173     100.029  92.149 -19.316  1.00 20.65           C  
-ATOM   1395  N   LEU A 174     104.329  90.495 -22.863  1.00 18.91           N  
-ATOM   1396  CA  LEU A 174     104.794  90.255 -24.218  1.00 19.38           C  
-ATOM   1397  C   LEU A 174     103.656  89.776 -25.103  1.00 19.75           C  
-ATOM   1398  O   LEU A 174     103.556  90.168 -26.261  1.00 19.90           O  
-ATOM   1399  CB  LEU A 174     105.934  89.239 -24.217  1.00 19.06           C  
-ATOM   1400  CG  LEU A 174     107.129  89.632 -23.351  1.00 19.40           C  
-ATOM   1401  CD1 LEU A 174     108.161  88.504 -23.314  1.00 19.70           C  
-ATOM   1402  CD2 LEU A 174     107.763  90.930 -23.862  1.00 18.92           C  
-ATOM   1403  N   ASP A 175     102.803  88.930 -24.546  1.00 20.22           N  
-ATOM   1404  CA  ASP A 175     101.698  88.329 -25.286  1.00 21.20           C  
-ATOM   1405  C   ASP A 175     100.678  87.678 -24.352  1.00 21.00           C  
-ATOM   1406  O   ASP A 175     101.032  87.149 -23.304  1.00 20.54           O  
-ATOM   1407  CB  ASP A 175     102.230  87.269 -26.255  1.00 21.81           C  
-ATOM   1408  CG  ASP A 175     101.441  87.207 -27.550  1.00 24.47           C  
-ATOM   1409  OD1 ASP A 175     100.325  87.792 -27.613  1.00 26.21           O  
-ATOM   1410  OD2 ASP A 175     101.873  86.601 -28.576  1.00 28.10           O  
-ATOM   1411  N   VAL A 176      99.411  87.742 -24.753  1.00 21.49           N  
-ATOM   1412  CA  VAL A 176      98.311  87.002 -24.121  1.00 22.06           C  
-ATOM   1413  C   VAL A 176      97.581  86.184 -25.207  1.00 22.95           C  
-ATOM   1414  O   VAL A 176      97.085  86.766 -26.177  1.00 22.70           O  
-ATOM   1415  CB  VAL A 176      97.303  87.944 -23.379  1.00 21.91           C  
-ATOM   1416  CG1 VAL A 176      96.206  87.169 -22.664  1.00 21.25           C  
-ATOM   1417  CG2 VAL A 176      98.017  88.834 -22.370  1.00 21.18           C  
-ATOM   1418  N   THR A 177      97.566  84.848 -25.058  1.00 23.40           N  
-ATOM   1419  CA  THR A 177      96.792  83.959 -25.943  1.00 24.03           C  
-ATOM   1420  C   THR A 177      95.832  83.074 -25.126  1.00 24.09           C  
-ATOM   1421  O   THR A 177      96.004  82.924 -23.927  1.00 23.26           O  
-ATOM   1422  CB  THR A 177      97.688  83.056 -26.807  1.00 24.10           C  
-ATOM   1423  OG1 THR A 177      98.637  82.371 -25.987  1.00 25.25           O  
-ATOM   1424  CG2 THR A 177      98.567  83.856 -27.759  1.00 24.94           C  
-ATOM   1425  N   GLN A 178      94.853  82.460 -25.795  1.00 24.55           N  
-ATOM   1426  CA  GLN A 178      93.845  81.648 -25.112  1.00 26.04           C  
-ATOM   1427  C   GLN A 178      93.416  80.437 -25.909  1.00 25.78           C  
-ATOM   1428  O   GLN A 178      93.268  80.507 -27.119  1.00 26.90           O  
-ATOM   1429  CB  GLN A 178      92.621  82.487 -24.786  1.00 26.49           C  
-ATOM   1430  CG  GLN A 178      92.614  83.792 -25.520  1.00 29.52           C  
-ATOM   1431  CD  GLN A 178      92.119  84.923 -24.665  1.00 32.78           C  
-ATOM   1432  OE1 GLN A 178      91.807  84.722 -23.487  1.00 37.05           O  
-ATOM   1433  NE2 GLN A 178      92.032  86.121 -25.252  1.00 32.26           N  
-ATOM   1434  N   LYS A 179      93.206  79.329 -25.213  1.00 25.54           N  
-ATOM   1435  CA  LYS A 179      92.870  78.040 -25.834  1.00 24.94           C  
-ATOM   1436  C   LYS A 179      91.613  77.563 -25.133  1.00 24.02           C  
-ATOM   1437  O   LYS A 179      91.463  77.796 -23.941  1.00 23.74           O  
-ATOM   1438  CB  LYS A 179      94.000  77.036 -25.589  1.00 24.34           C  
-ATOM   1439  CG  LYS A 179      94.133  75.909 -26.618  1.00 26.07           C  
-ATOM   1440  CD  LYS A 179      95.234  74.888 -26.190  1.00 28.40           C  
-ATOM   1441  CE  LYS A 179      94.978  73.450 -26.752  1.00 30.51           C  
-ATOM   1442  NZ  LYS A 179      95.735  73.147 -28.033  1.00 28.25           N  
-ATOM   1443  N   LYS A 180      90.724  76.907 -25.856  1.00 22.63           N  
-ATOM   1444  CA  LYS A 180      89.543  76.339 -25.248  1.00 22.40           C  
-ATOM   1445  C   LYS A 180      89.823  74.859 -25.041  1.00 21.44           C  
-ATOM   1446  O   LYS A 180      90.475  74.242 -25.868  1.00 21.16           O  
-ATOM   1447  CB  LYS A 180      88.311  76.572 -26.138  1.00 23.56           C  
-ATOM   1448  CG  LYS A 180      87.306  75.431 -26.083  1.00 24.80           C  
-ATOM   1449  CD  LYS A 180      86.024  75.751 -26.797  1.00 26.43           C  
-ATOM   1450  CE  LYS A 180      84.842  75.486 -25.895  1.00 24.43           C  
-ATOM   1451  NZ  LYS A 180      83.650  75.903 -26.636  1.00 23.99           N  
-ATOM   1452  N   ASN A 181      89.391  74.300 -23.912  1.00 19.91           N  
-ATOM   1453  CA  ASN A 181      89.503  72.870 -23.707  1.00 18.83           C  
-ATOM   1454  C   ASN A 181      88.257  72.254 -23.160  1.00 18.31           C  
-ATOM   1455  O   ASN A 181      87.419  72.931 -22.605  1.00 17.90           O  
-ATOM   1456  CB  ASN A 181      90.631  72.552 -22.750  1.00 18.92           C  
-ATOM   1457  CG  ASN A 181      91.924  73.147 -23.183  1.00 20.41           C  
-ATOM   1458  OD1 ASN A 181      92.529  72.711 -24.171  1.00 18.27           O  
-ATOM   1459  ND2 ASN A 181      92.369  74.174 -22.445  1.00 23.23           N  
-ATOM   1460  N   SER A 182      88.170  70.946 -23.320  1.00 19.00           N  
-ATOM   1461  CA  SER A 182      87.059  70.136 -22.840  1.00 19.11           C  
-ATOM   1462  C   SER A 182      87.710  69.000 -22.066  1.00 19.01           C  
-ATOM   1463  O   SER A 182      88.398  68.169 -22.651  1.00 17.40           O  
-ATOM   1464  CB  SER A 182      86.235  69.594 -24.026  1.00 19.07           C  
-ATOM   1465  OG  SER A 182      84.834  69.699 -23.790  1.00 17.80           O  
-ATOM   1466  N   VAL A 183      87.538  68.993 -20.745  1.00 18.29           N  
-ATOM   1467  CA  VAL A 183      88.201  67.984 -19.928  1.00 18.59           C  
-ATOM   1468  C   VAL A 183      87.216  67.126 -19.119  1.00 17.68           C  
-ATOM   1469  O   VAL A 183      86.193  67.610 -18.664  1.00 17.51           O  
-ATOM   1470  CB  VAL A 183      89.248  68.633 -18.993  1.00 18.78           C  
-ATOM   1471  CG1 VAL A 183      90.091  67.553 -18.261  1.00 19.53           C  
-ATOM   1472  CG2 VAL A 183      90.155  69.555 -19.782  1.00 19.37           C  
-ATOM   1473  N   THR A 184      87.574  65.861 -18.940  1.00 18.01           N  
-ATOM   1474  CA  THR A 184      86.835  64.869 -18.138  1.00 17.67           C  
-ATOM   1475  C   THR A 184      87.685  64.577 -16.903  1.00 17.50           C  
-ATOM   1476  O   THR A 184      88.883  64.340 -17.010  1.00 16.48           O  
-ATOM   1477  CB  THR A 184      86.628  63.610 -18.999  1.00 17.75           C  
-ATOM   1478  OG1 THR A 184      85.757  63.949 -20.070  1.00 17.33           O  
-ATOM   1479  CG2 THR A 184      85.863  62.504 -18.287  1.00 17.93           C  
-ATOM   1480  N   TYR A 185      87.074  64.664 -15.730  1.00 18.02           N  
-ATOM   1481  CA  TYR A 185      87.799  64.486 -14.471  1.00 18.84           C  
-ATOM   1482  C   TYR A 185      87.389  63.152 -13.883  1.00 18.82           C  
-ATOM   1483  O   TYR A 185      86.474  62.538 -14.370  1.00 18.53           O  
-ATOM   1484  CB  TYR A 185      87.513  65.660 -13.510  1.00 18.47           C  
-ATOM   1485  CG  TYR A 185      87.993  66.955 -14.112  1.00 20.14           C  
-ATOM   1486  CD1 TYR A 185      87.146  67.738 -14.889  1.00 18.83           C  
-ATOM   1487  CD2 TYR A 185      89.327  67.349 -13.988  1.00 20.23           C  
-ATOM   1488  CE1 TYR A 185      87.596  68.911 -15.461  1.00 18.34           C  
-ATOM   1489  CE2 TYR A 185      89.788  68.523 -14.576  1.00 19.93           C  
-ATOM   1490  CZ  TYR A 185      88.910  69.293 -15.314  1.00 19.90           C  
-ATOM   1491  OH  TYR A 185      89.356  70.436 -15.924  1.00 20.39           O  
-ATOM   1492  N   SER A 186      88.046  62.708 -12.826  1.00 19.71           N  
-ATOM   1493  CA  SER A 186      87.823  61.337 -12.371  1.00 20.54           C  
-ATOM   1494  C   SER A 186      86.507  61.216 -11.630  1.00 20.86           C  
-ATOM   1495  O   SER A 186      85.846  60.176 -11.701  1.00 20.27           O  
-ATOM   1496  CB  SER A 186      89.012  60.819 -11.556  1.00 20.67           C  
-ATOM   1497  OG  SER A 186      89.857  60.010 -12.394  1.00 22.00           O  
-ATOM   1498  N   CYS A 187      86.106  62.317 -10.993  1.00 20.71           N  
-ATOM   1499  CA  CYS A 187      84.895  62.368 -10.165  1.00 21.54           C  
-ATOM   1500  C   CYS A 187      83.584  62.085 -10.922  1.00 21.36           C  
-ATOM   1501  O   CYS A 187      82.575  61.645 -10.324  1.00 21.61           O  
-ATOM   1502  CB  CYS A 187      84.777  63.784  -9.580  1.00 20.83           C  
-ATOM   1503  SG  CYS A 187      84.344  64.989 -10.871  1.00 24.19           S  
-ATOM   1504  N   CYS A 188      83.596  62.396 -12.223  1.00 20.84           N  
-ATOM   1505  CA  CYS A 188      82.372  62.594 -13.005  1.00 20.49           C  
-ATOM   1506  C   CYS A 188      82.523  62.116 -14.454  1.00 19.77           C  
-ATOM   1507  O   CYS A 188      83.628  62.188 -15.013  1.00 19.45           O  
-ATOM   1508  CB  CYS A 188      82.020  64.086 -12.996  1.00 20.79           C  
-ATOM   1509  SG  CYS A 188      82.328  64.873 -11.403  1.00 22.66           S  
-ATOM   1510  N   PRO A 189      81.435  61.617 -15.051  1.00 19.02           N  
-ATOM   1511  CA  PRO A 189      81.452  61.132 -16.441  1.00 19.08           C  
-ATOM   1512  C   PRO A 189      81.304  62.213 -17.536  1.00 18.78           C  
-ATOM   1513  O   PRO A 189      81.356  61.896 -18.725  1.00 18.42           O  
-ATOM   1514  CB  PRO A 189      80.245  60.173 -16.479  1.00 19.02           C  
-ATOM   1515  CG  PRO A 189      79.258  60.810 -15.518  1.00 20.00           C  
-ATOM   1516  CD  PRO A 189      80.114  61.407 -14.415  1.00 18.73           C  
-ATOM   1517  N   GLU A 190      81.145  63.478 -17.171  1.00 18.81           N  
-ATOM   1518  CA  GLU A 190      80.902  64.472 -18.220  1.00 19.18           C  
-ATOM   1519  C   GLU A 190      82.125  65.331 -18.514  1.00 18.05           C  
-ATOM   1520  O   GLU A 190      83.041  65.394 -17.705  1.00 18.42           O  
-ATOM   1521  CB  GLU A 190      79.659  65.316 -17.908  1.00 19.62           C  
-ATOM   1522  CG  GLU A 190      78.337  64.595 -18.133  1.00 23.56           C  
-ATOM   1523  CD  GLU A 190      78.074  64.219 -19.600  1.00 27.75           C  
-ATOM   1524  OE1 GLU A 190      77.426  65.021 -20.323  1.00 28.27           O  
-ATOM   1525  OE2 GLU A 190      78.500  63.114 -20.036  1.00 31.91           O  
-ATOM   1526  N   ALA A 191      82.146  65.952 -19.693  1.00 17.39           N  
-ATOM   1527  CA  ALA A 191      83.201  66.887 -20.062  1.00 16.37           C  
-ATOM   1528  C   ALA A 191      82.873  68.285 -19.538  1.00 15.91           C  
-ATOM   1529  O   ALA A 191      81.731  68.738 -19.601  1.00 15.09           O  
-ATOM   1530  CB  ALA A 191      83.397  66.915 -21.557  1.00 16.52           C  
-ATOM   1531  N   TYR A 192      83.883  68.963 -19.009  1.00 15.70           N  
-ATOM   1532  CA  TYR A 192      83.734  70.357 -18.557  1.00 16.17           C  
-ATOM   1533  C   TYR A 192      84.618  71.217 -19.395  1.00 17.06           C  
-ATOM   1534  O   TYR A 192      85.788  70.855 -19.648  1.00 17.09           O  
-ATOM   1535  CB  TYR A 192      84.137  70.484 -17.108  1.00 15.49           C  
-ATOM   1536  CG  TYR A 192      83.221  69.753 -16.198  1.00 15.74           C  
-ATOM   1537  CD1 TYR A 192      83.332  68.372 -16.026  1.00 16.04           C  
-ATOM   1538  CD2 TYR A 192      82.219  70.427 -15.517  1.00 14.94           C  
-ATOM   1539  CE1 TYR A 192      82.464  67.678 -15.188  1.00 16.62           C  
-ATOM   1540  CE2 TYR A 192      81.357  69.752 -14.679  1.00 15.83           C  
-ATOM   1541  CZ  TYR A 192      81.489  68.374 -14.516  1.00 16.38           C  
-ATOM   1542  OH  TYR A 192      80.629  67.675 -13.713  1.00 17.79           O  
-ATOM   1543  N   GLU A 193      84.073  72.346 -19.861  1.00 17.74           N  
-ATOM   1544  CA  GLU A 193      84.870  73.274 -20.688  1.00 18.16           C  
-ATOM   1545  C   GLU A 193      85.698  74.227 -19.854  1.00 18.48           C  
-ATOM   1546  O   GLU A 193      85.295  74.626 -18.773  1.00 17.99           O  
-ATOM   1547  CB  GLU A 193      83.992  74.022 -21.695  1.00 18.07           C  
-ATOM   1548  CG  GLU A 193      83.292  73.067 -22.650  1.00 18.19           C  
-ATOM   1549  CD  GLU A 193      82.622  73.759 -23.807  1.00 19.85           C  
-ATOM   1550  OE1 GLU A 193      82.735  75.008 -23.892  1.00 20.24           O  
-ATOM   1551  OE2 GLU A 193      82.007  73.039 -24.637  1.00 21.61           O  
-ATOM   1552  N   ASP A 194      86.880  74.566 -20.355  1.00 19.28           N  
-ATOM   1553  CA  ASP A 194      87.677  75.613 -19.761  1.00 20.31           C  
-ATOM   1554  C   ASP A 194      88.300  76.516 -20.829  1.00 19.98           C  
-ATOM   1555  O   ASP A 194      88.395  76.144 -21.990  1.00 19.37           O  
-ATOM   1556  CB  ASP A 194      88.719  75.038 -18.821  1.00 20.60           C  
-ATOM   1557  CG  ASP A 194      89.817  74.297 -19.537  1.00 24.90           C  
-ATOM   1558  OD1 ASP A 194      90.678  74.951 -20.187  1.00 27.78           O  
-ATOM   1559  OD2 ASP A 194      89.917  73.033 -19.484  1.00 29.44           O  
-ATOM   1560  N   VAL A 195      88.661  77.733 -20.436  1.00 19.43           N  
-ATOM   1561  CA  VAL A 195      89.555  78.533 -21.272  1.00 19.72           C  
-ATOM   1562  C   VAL A 195      90.892  78.592 -20.552  1.00 19.17           C  
-ATOM   1563  O   VAL A 195      90.916  78.895 -19.347  1.00 18.97           O  
-ATOM   1564  CB  VAL A 195      89.006  79.974 -21.484  1.00 19.99           C  
-ATOM   1565  CG1 VAL A 195      90.071  80.853 -22.178  1.00 21.01           C  
-ATOM   1566  CG2 VAL A 195      87.732  79.895 -22.320  1.00 20.21           C  
-ATOM   1567  N   GLU A 196      91.968  78.295 -21.264  1.00 18.47           N  
-ATOM   1568  CA  GLU A 196      93.342  78.523 -20.791  1.00 19.25           C  
-ATOM   1569  C   GLU A 196      93.887  79.845 -21.295  1.00 18.56           C  
-ATOM   1570  O   GLU A 196      93.952  80.093 -22.500  1.00 18.50           O  
-ATOM   1571  CB  GLU A 196      94.301  77.383 -21.194  1.00 19.30           C  
-ATOM   1572  CG  GLU A 196      94.277  76.246 -20.183  1.00 23.15           C  
-ATOM   1573  CD  GLU A 196      94.866  74.913 -20.677  1.00 27.96           C  
-ATOM   1574  OE1 GLU A 196      95.516  74.855 -21.773  1.00 28.55           O  
-ATOM   1575  OE2 GLU A 196      94.665  73.906 -19.935  1.00 28.62           O  
-ATOM   1576  N   VAL A 197      94.268  80.704 -20.362  1.00 18.05           N  
-ATOM   1577  CA  VAL A 197      94.821  81.991 -20.730  1.00 17.83           C  
-ATOM   1578  C   VAL A 197      96.334  82.017 -20.505  1.00 17.44           C  
-ATOM   1579  O   VAL A 197      96.807  81.877 -19.396  1.00 17.08           O  
-ATOM   1580  CB  VAL A 197      94.118  83.161 -19.992  1.00 17.92           C  
-ATOM   1581  CG1 VAL A 197      94.735  84.464 -20.397  1.00 17.32           C  
-ATOM   1582  CG2 VAL A 197      92.626  83.164 -20.318  1.00 18.03           C  
-ATOM   1583  N   SER A 198      97.091  82.199 -21.583  1.00 17.29           N  
-ATOM   1584  CA  SER A 198      98.553  82.126 -21.485  1.00 17.73           C  
-ATOM   1585  C   SER A 198      99.159  83.521 -21.481  1.00 17.41           C  
-ATOM   1586  O   SER A 198      99.065  84.240 -22.467  1.00 16.93           O  
-ATOM   1587  CB  SER A 198      99.131  81.250 -22.606  1.00 17.73           C  
-ATOM   1588  OG  SER A 198      98.749  79.892 -22.367  1.00 19.56           O  
-ATOM   1589  N   LEU A 199      99.722  83.896 -20.342  1.00 17.00           N  
-ATOM   1590  CA  LEU A 199     100.269  85.226 -20.120  1.00 16.83           C  
-ATOM   1591  C   LEU A 199     101.769  85.110 -20.293  1.00 16.50           C  
-ATOM   1592  O   LEU A 199     102.441  84.443 -19.489  1.00 16.74           O  
-ATOM   1593  CB  LEU A 199      99.913  85.720 -18.702  1.00 17.25           C  
-ATOM   1594  CG  LEU A 199     100.582  87.014 -18.185  1.00 18.18           C  
-ATOM   1595  CD1 LEU A 199     100.132  88.172 -19.000  1.00 18.47           C  
-ATOM   1596  CD2 LEU A 199     100.276  87.269 -16.706  1.00 18.87           C  
-ATOM   1597  N   ASN A 200     102.285  85.713 -21.365  1.00 15.84           N  
-ATOM   1598  CA  ASN A 200     103.720  85.733 -21.630  1.00 15.75           C  
-ATOM   1599  C   ASN A 200     104.255  87.068 -21.137  1.00 15.33           C  
-ATOM   1600  O   ASN A 200     103.895  88.131 -21.660  1.00 15.11           O  
-ATOM   1601  CB  ASN A 200     104.002  85.508 -23.124  1.00 15.91           C  
-ATOM   1602  CG  ASN A 200     105.502  85.467 -23.479  1.00 17.30           C  
-ATOM   1603  OD1 ASN A 200     105.877  85.816 -24.602  1.00 17.88           O  
-ATOM   1604  ND2 ASN A 200     106.349  85.021 -22.550  1.00 18.39           N  
-ATOM   1605  N   PHE A 201     105.106  87.021 -20.113  1.00 14.58           N  
-ATOM   1606  CA  PHE A 201     105.556  88.244 -19.470  1.00 14.13           C  
-ATOM   1607  C   PHE A 201     106.983  88.122 -19.017  1.00 13.46           C  
-ATOM   1608  O   PHE A 201     107.505  87.010 -18.866  1.00 13.28           O  
-ATOM   1609  CB  PHE A 201     104.621  88.635 -18.292  1.00 14.28           C  
-ATOM   1610  CG  PHE A 201     104.772  87.766 -17.072  1.00 15.53           C  
-ATOM   1611  CD1 PHE A 201     104.271  86.460 -17.062  1.00 15.61           C  
-ATOM   1612  CD2 PHE A 201     105.411  88.249 -15.931  1.00 15.86           C  
-ATOM   1613  CE1 PHE A 201     104.421  85.645 -15.952  1.00 16.12           C  
-ATOM   1614  CE2 PHE A 201     105.554  87.439 -14.812  1.00 16.23           C  
-ATOM   1615  CZ  PHE A 201     105.064  86.136 -14.817  1.00 16.42           C  
-ATOM   1616  N   ARG A 202     107.614  89.276 -18.810  1.00 12.21           N  
-ATOM   1617  CA  ARG A 202     108.958  89.314 -18.272  1.00 10.78           C  
-ATOM   1618  C   ARG A 202     109.177  90.487 -17.340  1.00 10.37           C  
-ATOM   1619  O   ARG A 202     108.383  91.423 -17.300  1.00  9.08           O  
-ATOM   1620  CB  ARG A 202     109.953  89.400 -19.408  1.00 11.24           C  
-ATOM   1621  CG  ARG A 202     110.056  90.758 -20.053  1.00 10.75           C  
-ATOM   1622  CD  ARG A 202     111.159  90.797 -21.116  1.00 11.81           C  
-ATOM   1623  NE  ARG A 202     110.987  91.957 -21.971  1.00 12.11           N  
-ATOM   1624  CZ  ARG A 202     111.254  92.003 -23.265  1.00 13.89           C  
-ATOM   1625  NH1 ARG A 202     111.753  90.941 -23.908  1.00 13.22           N  
-ATOM   1626  NH2 ARG A 202     111.046  93.140 -23.910  1.00 13.68           N  
-ATOM   1627  N   LYS A 203     110.281  90.431 -16.609  1.00 10.22           N  
-ATOM   1628  CA  LYS A 203     110.659  91.498 -15.709  1.00 10.85           C  
-ATOM   1629  C   LYS A 203     111.206  92.647 -16.526  1.00 10.48           C  
-ATOM   1630  O   LYS A 203     111.949  92.427 -17.459  1.00  9.22           O  
-ATOM   1631  CB  LYS A 203     111.756  91.014 -14.771  1.00 11.54           C  
-ATOM   1632  CG  LYS A 203     111.267  90.627 -13.394  1.00 15.05           C  
-ATOM   1633  CD  LYS A 203     112.463  90.334 -12.493  1.00 18.07           C  
-ATOM   1634  CE  LYS A 203     112.334  91.013 -11.124  1.00 23.42           C  
-ATOM   1635  NZ  LYS A 203     113.665  91.154 -10.433  1.00 23.81           N  
-ATOM   1636  N   LYS A 204     110.827  93.873 -16.191  1.00 11.04           N  
-ATOM   1637  CA  LYS A 204     111.386  95.013 -16.897  1.00 11.94           C  
-ATOM   1638  C   LYS A 204     112.856  95.086 -16.564  1.00 12.09           C  
-ATOM   1639  O   LYS A 204     113.313  94.447 -15.606  1.00 10.85           O  
-ATOM   1640  CB  LYS A 204     110.709  96.320 -16.493  1.00 11.91           C  
-ATOM   1641  CG  LYS A 204     109.212  96.380 -16.795  1.00 13.78           C  
-ATOM   1642  CD  LYS A 204     108.806  97.855 -16.862  1.00 16.78           C  
-ATOM   1643  CE  LYS A 204     107.332  98.009 -17.003  1.00 16.93           C  
-ATOM   1644  NZ  LYS A 204     106.814  99.076 -16.088  1.00 20.44           N  
-ATOM   1645  N   GLY A 205     113.597  95.843 -17.368  1.00 12.85           N  
-ATOM   1646  CA  GLY A 205     114.966  96.180 -17.016  1.00 14.26           C  
-ATOM   1647  C   GLY A 205     114.924  96.670 -15.574  1.00 14.64           C  
-ATOM   1648  O   GLY A 205     114.045  97.459 -15.215  1.00 15.15           O  
-ATOM   1649  N   ARG A 206     115.829  96.175 -14.741  1.00 14.72           N  
-ATOM   1650  CA  ARG A 206     115.878  96.588 -13.346  1.00 15.40           C  
-ATOM   1651  C   ARG A 206     116.187  98.093 -13.144  1.00 15.24           C  
-ATOM   1652  O   ARG A 206     115.893  98.635 -12.074  1.00 15.54           O  
-ATOM   1653  CB  ARG A 206     116.874  95.723 -12.568  1.00 15.59           C  
-ATOM   1654  CG  ARG A 206     118.293  96.226 -12.625  1.00 16.60           C  
-ATOM   1655  CD  ARG A 206     119.332  95.166 -12.279  1.00 22.18           C  
-ATOM   1656  NE  ARG A 206     118.746  94.076 -11.513  1.00 23.48           N  
-ATOM   1657  CZ  ARG A 206     119.099  93.747 -10.279  1.00 24.87           C  
-ATOM   1658  NH1 ARG A 206     120.074  94.411  -9.658  1.00 22.02           N  
-ATOM   1659  NH2 ARG A 206     118.481  92.719  -9.683  1.00 26.79           N  
-ATOM   1660  N   SER A 207     116.746  98.757 -14.158  1.00 14.39           N  
-ATOM   1661  CA  SER A 207     117.121 100.178 -14.045  1.00 14.37           C  
-ATOM   1662  C   SER A 207     116.100 101.140 -14.670  1.00 14.14           C  
-ATOM   1663  O   SER A 207     114.966 100.741 -14.981  1.00 15.15           O  
-ATOM   1664  CB  SER A 207     118.499 100.409 -14.659  1.00 13.94           C  
-ATOM   1665  OG  SER A 207     118.430 100.195 -16.049  1.00 12.87           O  
-TER    1666      SER A 207                                                      
-ATOM   1667  N   GLU B   0      56.879  66.860 -16.552  1.00 22.86           N  
-ATOM   1668  CA  GLU B   0      58.136  67.586 -16.883  1.00 22.89           C  
-ATOM   1669  C   GLU B   0      58.360  68.653 -15.810  1.00 22.57           C  
-ATOM   1670  O   GLU B   0      57.523  69.522 -15.586  1.00 22.15           O  
-ATOM   1671  CB  GLU B   0      58.101  68.167 -18.322  1.00 23.16           C  
-ATOM   1672  CG  GLU B   0      59.272  69.078 -18.716  1.00 24.46           C  
-ATOM   1673  CD  GLU B   0      59.852  68.838 -20.127  1.00 26.82           C  
-ATOM   1674  OE1 GLU B   0      59.209  68.189 -21.000  1.00 25.65           O  
-ATOM   1675  OE2 GLU B   0      60.991  69.318 -20.371  1.00 25.75           O  
-ATOM   1676  N   PHE B   1      59.468  68.523 -15.098  1.00 22.55           N  
-ATOM   1677  CA  PHE B   1      59.980  69.625 -14.322  1.00 22.41           C  
-ATOM   1678  C   PHE B   1      61.124  70.199 -15.119  1.00 21.77           C  
-ATOM   1679  O   PHE B   1      61.924  69.454 -15.675  1.00 22.12           O  
-ATOM   1680  CB  PHE B   1      60.559  69.172 -12.979  1.00 22.47           C  
-ATOM   1681  CG  PHE B   1      59.634  68.337 -12.165  1.00 24.62           C  
-ATOM   1682  CD1 PHE B   1      58.483  68.885 -11.603  1.00 26.51           C  
-ATOM   1683  CD2 PHE B   1      59.919  66.997 -11.949  1.00 26.23           C  
-ATOM   1684  CE1 PHE B   1      57.607  68.108 -10.851  1.00 28.36           C  
-ATOM   1685  CE2 PHE B   1      59.068  66.195 -11.187  1.00 27.34           C  
-ATOM   1686  CZ  PHE B   1      57.906  66.747 -10.630  1.00 28.78           C  
-ATOM   1687  N   ASP B   2      61.228  71.513 -15.165  1.00 20.78           N  
-ATOM   1688  CA  ASP B   2      62.452  72.116 -15.677  1.00 20.19           C  
-ATOM   1689  C   ASP B   2      63.379  72.455 -14.500  1.00 19.22           C  
-ATOM   1690  O   ASP B   2      62.986  72.286 -13.328  1.00 18.66           O  
-ATOM   1691  CB  ASP B   2      62.138  73.336 -16.558  1.00 20.48           C  
-ATOM   1692  CG  ASP B   2      61.445  74.463 -15.789  1.00 21.80           C  
-ATOM   1693  OD1 ASP B   2      61.507  74.520 -14.530  1.00 22.60           O  
-ATOM   1694  OD2 ASP B   2      60.817  75.358 -16.368  1.00 23.84           O  
-ATOM   1695  N   ARG B   3      64.599  72.909 -14.801  1.00 18.15           N  
-ATOM   1696  CA  ARG B   3      65.570  73.225 -13.758  1.00 17.57           C  
-ATOM   1697  C   ARG B   3      65.048  74.218 -12.723  1.00 16.94           C  
-ATOM   1698  O   ARG B   3      65.280  74.073 -11.518  1.00 17.17           O  
-ATOM   1699  CB  ARG B   3      66.846  73.787 -14.359  1.00 17.93           C  
-ATOM   1700  CG  ARG B   3      67.863  72.749 -14.723  1.00 18.55           C  
-ATOM   1701  CD  ARG B   3      68.820  73.213 -15.825  1.00 19.21           C  
-ATOM   1702  NE  ARG B   3      69.689  72.110 -16.221  1.00 22.30           N  
-ATOM   1703  CZ  ARG B   3      69.598  71.428 -17.361  1.00 25.71           C  
-ATOM   1704  NH1 ARG B   3      68.674  71.728 -18.286  1.00 27.29           N  
-ATOM   1705  NH2 ARG B   3      70.452  70.437 -17.586  1.00 26.05           N  
-ATOM   1706  N   ALA B   4      64.328  75.227 -13.179  1.00 16.05           N  
-ATOM   1707  CA  ALA B   4      63.714  76.174 -12.261  1.00 15.66           C  
-ATOM   1708  C   ALA B   4      62.792  75.511 -11.246  1.00 15.31           C  
-ATOM   1709  O   ALA B   4      62.877  75.838 -10.075  1.00 15.01           O  
-ATOM   1710  CB  ALA B   4      62.985  77.294 -13.038  1.00 15.48           C  
-ATOM   1711  N   ASP B   5      61.935  74.591 -11.696  1.00 15.41           N  
-ATOM   1712  CA  ASP B   5      61.021  73.829 -10.832  1.00 16.21           C  
-ATOM   1713  C   ASP B   5      61.759  72.963  -9.855  1.00 15.39           C  
-ATOM   1714  O   ASP B   5      61.436  72.995  -8.673  1.00 15.53           O  
-ATOM   1715  CB  ASP B   5      60.083  72.940 -11.641  1.00 17.01           C  
-ATOM   1716  CG  ASP B   5      59.186  73.729 -12.561  1.00 20.65           C  
-ATOM   1717  OD1 ASP B   5      58.886  74.892 -12.214  1.00 24.16           O  
-ATOM   1718  OD2 ASP B   5      58.728  73.279 -13.653  1.00 25.02           O  
-ATOM   1719  N   ILE B   6      62.752  72.209 -10.343  1.00 14.97           N  
-ATOM   1720  CA  ILE B   6      63.594  71.365  -9.466  1.00 14.36           C  
-ATOM   1721  C   ILE B   6      64.207  72.215  -8.349  1.00 14.07           C  
-ATOM   1722  O   ILE B   6      64.065  71.914  -7.186  1.00 13.58           O  
-ATOM   1723  CB  ILE B   6      64.677  70.581 -10.289  1.00 14.07           C  
-ATOM   1724  CG1 ILE B   6      64.001  69.590 -11.245  1.00 13.88           C  
-ATOM   1725  CG2 ILE B   6      65.595  69.777  -9.381  1.00 13.51           C  
-ATOM   1726  CD1 ILE B   6      64.888  69.180 -12.435  1.00 12.57           C  
-ATOM   1727  N   LEU B   7      64.851  73.306  -8.717  1.00 14.35           N  
-ATOM   1728  CA  LEU B   7      65.555  74.133  -7.760  1.00 15.43           C  
-ATOM   1729  C   LEU B   7      64.628  74.869  -6.806  1.00 15.39           C  
-ATOM   1730  O   LEU B   7      64.961  75.039  -5.636  1.00 14.87           O  
-ATOM   1731  CB  LEU B   7      66.528  75.112  -8.460  1.00 15.85           C  
-ATOM   1732  CG  LEU B   7      67.723  74.389  -9.093  1.00 17.19           C  
-ATOM   1733  CD1 LEU B   7      68.228  75.176 -10.298  1.00 18.69           C  
-ATOM   1734  CD2 LEU B   7      68.836  74.178  -8.080  1.00 18.82           C  
-ATOM   1735  N   TYR B   8      63.453  75.251  -7.298  1.00 15.77           N  
-ATOM   1736  CA  TYR B   8      62.403  75.823  -6.457  1.00 16.69           C  
-ATOM   1737  C   TYR B   8      61.975  74.817  -5.389  1.00 16.26           C  
-ATOM   1738  O   TYR B   8      61.970  75.143  -4.201  1.00 15.81           O  
-ATOM   1739  CB  TYR B   8      61.202  76.258  -7.331  1.00 17.31           C  
-ATOM   1740  CG  TYR B   8      60.027  76.843  -6.572  1.00 20.86           C  
-ATOM   1741  CD1 TYR B   8      60.105  78.107  -5.961  1.00 24.50           C  
-ATOM   1742  CD2 TYR B   8      58.831  76.136  -6.466  1.00 23.34           C  
-ATOM   1743  CE1 TYR B   8      59.019  78.644  -5.247  1.00 26.34           C  
-ATOM   1744  CE2 TYR B   8      57.728  76.663  -5.761  1.00 25.69           C  
-ATOM   1745  CZ  TYR B   8      57.833  77.912  -5.153  1.00 27.08           C  
-ATOM   1746  OH  TYR B   8      56.749  78.438  -4.478  1.00 28.57           O  
-ATOM   1747  N   ASN B   9      61.647  73.596  -5.817  1.00 16.04           N  
-ATOM   1748  CA  ASN B   9      61.167  72.553  -4.913  1.00 16.18           C  
-ATOM   1749  C   ASN B   9      62.212  72.188  -3.841  1.00 15.86           C  
-ATOM   1750  O   ASN B   9      61.883  72.103  -2.670  1.00 15.27           O  
-ATOM   1751  CB  ASN B   9      60.696  71.326  -5.707  1.00 16.40           C  
-ATOM   1752  CG  ASN B   9      59.418  71.600  -6.509  1.00 18.13           C  
-ATOM   1753  OD1 ASN B   9      58.734  72.596  -6.288  1.00 19.54           O  
-ATOM   1754  ND2 ASN B   9      59.109  70.734  -7.454  1.00 17.74           N  
-ATOM   1755  N   ILE B  10      63.477  72.045  -4.243  1.00 16.30           N  
-ATOM   1756  CA  ILE B  10      64.562  71.826  -3.297  1.00 15.92           C  
-ATOM   1757  C   ILE B  10      64.677  72.993  -2.293  1.00 16.92           C  
-ATOM   1758  O   ILE B  10      64.716  72.792  -1.074  1.00 15.57           O  
-ATOM   1759  CB  ILE B  10      65.906  71.631  -4.056  1.00 16.30           C  
-ATOM   1760  CG1 ILE B  10      65.893  70.286  -4.818  1.00 14.86           C  
-ATOM   1761  CG2 ILE B  10      67.110  71.750  -3.087  1.00 15.11           C  
-ATOM   1762  CD1 ILE B  10      67.127  70.058  -5.656  1.00 13.48           C  
-ATOM   1763  N   ARG B  11      64.781  74.202  -2.820  1.00 17.51           N  
-ATOM   1764  CA  ARG B  11      64.926  75.372  -1.971  1.00 19.36           C  
-ATOM   1765  C   ARG B  11      63.748  75.535  -1.000  1.00 18.54           C  
-ATOM   1766  O   ARG B  11      63.959  75.742   0.179  1.00 18.37           O  
-ATOM   1767  CB  ARG B  11      65.082  76.611  -2.845  1.00 18.78           C  
-ATOM   1768  CG  ARG B  11      65.252  77.889  -2.062  1.00 25.02           C  
-ATOM   1769  CD  ARG B  11      65.007  79.139  -2.887  1.00 31.15           C  
-ATOM   1770  NE  ARG B  11      65.511  79.010  -4.260  1.00 33.98           N  
-ATOM   1771  CZ  ARG B  11      64.769  79.206  -5.357  1.00 33.15           C  
-ATOM   1772  NH1 ARG B  11      63.476  79.525  -5.237  1.00 32.83           N  
-ATOM   1773  NH2 ARG B  11      65.323  79.076  -6.570  1.00 31.25           N  
-ATOM   1774  N   GLN B  12      62.517  75.398  -1.496  1.00 19.97           N  
-ATOM   1775  CA  GLN B  12      61.322  75.626  -0.664  1.00 20.71           C  
-ATOM   1776  C   GLN B  12      61.130  74.593   0.405  1.00 20.86           C  
-ATOM   1777  O   GLN B  12      60.514  74.884   1.429  1.00 21.99           O  
-ATOM   1778  CB  GLN B  12      60.056  75.700  -1.510  1.00 21.04           C  
-ATOM   1779  CG  GLN B  12      60.025  76.906  -2.457  1.00 23.44           C  
-ATOM   1780  CD  GLN B  12      60.012  78.255  -1.738  1.00 26.84           C  
-ATOM   1781  OE1 GLN B  12      59.189  78.480  -0.855  1.00 29.24           O  
-ATOM   1782  NE2 GLN B  12      60.904  79.153  -2.134  1.00 27.52           N  
-ATOM   1783  N   THR B  13      61.660  73.395   0.202  1.00 20.14           N  
-ATOM   1784  CA  THR B  13      61.429  72.302   1.165  1.00 20.66           C  
-ATOM   1785  C   THR B  13      62.687  71.922   1.869  1.00 21.92           C  
-ATOM   1786  O   THR B  13      62.671  71.010   2.698  1.00 22.92           O  
-ATOM   1787  CB  THR B  13      60.832  71.037   0.477  1.00 19.92           C  
-ATOM   1788  OG1 THR B  13      61.745  70.552  -0.524  1.00 20.09           O  
-ATOM   1789  CG2 THR B  13      59.574  71.422  -0.323  1.00 17.04           C  
-ATOM   1790  N   SER B  14      63.775  72.634   1.558  1.00 22.51           N  
-ATOM   1791  CA  SER B  14      65.113  72.270   2.054  1.00 22.69           C  
-ATOM   1792  C   SER B  14      65.156  72.402   3.566  1.00 22.41           C  
-ATOM   1793  O   SER B  14      64.597  73.385   4.131  1.00 22.36           O  
-ATOM   1794  CB  SER B  14      66.174  73.212   1.467  1.00 23.13           C  
-ATOM   1795  OG  SER B  14      66.013  74.549   1.962  1.00 23.29           O  
-ATOM   1796  N   ARG B  15      65.781  71.414   4.215  1.00 21.01           N  
-ATOM   1797  CA  ARG B  15      65.975  71.468   5.652  1.00 19.92           C  
-ATOM   1798  C   ARG B  15      67.437  71.199   5.898  1.00 19.99           C  
-ATOM   1799  O   ARG B  15      67.813  70.120   6.322  1.00 19.11           O  
-ATOM   1800  CB  ARG B  15      65.080  70.459   6.372  1.00 20.57           C  
-ATOM   1801  CG  ARG B  15      63.570  70.823   6.328  1.00 18.78           C  
-ATOM   1802  CD  ARG B  15      63.169  71.916   7.339  1.00 23.58           C  
-ATOM   1803  NE  ARG B  15      63.732  71.666   8.678  1.00 24.28           N  
-ATOM   1804  CZ  ARG B  15      63.145  70.906   9.615  1.00 20.05           C  
-ATOM   1805  NH1 ARG B  15      61.970  70.330   9.390  1.00 18.90           N  
-ATOM   1806  NH2 ARG B  15      63.726  70.756  10.790  1.00 16.56           N  
-ATOM   1807  N   PRO B  16      68.263  72.222   5.683  1.00 19.76           N  
-ATOM   1808  CA  PRO B  16      69.720  72.040   5.697  1.00 19.34           C  
-ATOM   1809  C   PRO B  16      70.223  71.664   7.070  1.00 18.70           C  
-ATOM   1810  O   PRO B  16      71.346  71.186   7.187  1.00 18.32           O  
-ATOM   1811  CB  PRO B  16      70.256  73.414   5.285  1.00 19.24           C  
-ATOM   1812  CG  PRO B  16      69.026  74.141   4.718  1.00 20.57           C  
-ATOM   1813  CD  PRO B  16      67.868  73.632   5.498  1.00 19.22           C  
-ATOM   1814  N   ASP B  17      69.396  71.887   8.090  1.00 17.94           N  
-ATOM   1815  CA  ASP B  17      69.740  71.547   9.460  1.00 17.95           C  
-ATOM   1816  C   ASP B  17      69.519  70.036   9.758  1.00 16.63           C  
-ATOM   1817  O   ASP B  17      69.867  69.561  10.834  1.00 13.35           O  
-ATOM   1818  CB  ASP B  17      68.888  72.409  10.422  1.00 19.22           C  
-ATOM   1819  CG  ASP B  17      67.358  72.461  10.008  1.00 25.25           C  
-ATOM   1820  OD1 ASP B  17      67.006  72.668   8.787  1.00 25.16           O  
-ATOM   1821  OD2 ASP B  17      66.432  72.342  10.875  1.00 31.65           O  
-ATOM   1822  N   VAL B  18      68.895  69.307   8.846  1.00 16.55           N  
-ATOM   1823  CA  VAL B  18      68.416  67.967   9.203  1.00 16.69           C  
-ATOM   1824  C   VAL B  18      69.222  66.885   8.512  1.00 16.87           C  
-ATOM   1825  O   VAL B  18      69.121  66.706   7.300  1.00 16.48           O  
-ATOM   1826  CB  VAL B  18      66.907  67.784   8.887  1.00 17.01           C  
-ATOM   1827  CG1 VAL B  18      66.433  66.340   9.243  1.00 16.55           C  
-ATOM   1828  CG2 VAL B  18      66.072  68.815   9.647  1.00 15.42           C  
-ATOM   1829  N   ILE B  19      70.016  66.156   9.281  1.00 17.14           N  
-ATOM   1830  CA  ILE B  19      70.776  65.021   8.734  1.00 17.93           C  
-ATOM   1831  C   ILE B  19      69.825  63.993   8.045  1.00 18.73           C  
-ATOM   1832  O   ILE B  19      68.851  63.576   8.638  1.00 18.66           O  
-ATOM   1833  CB  ILE B  19      71.664  64.398   9.841  1.00 17.70           C  
-ATOM   1834  CG1 ILE B  19      72.534  63.266   9.282  1.00 17.23           C  
-ATOM   1835  CG2 ILE B  19      70.830  63.945  11.053  1.00 16.71           C  
-ATOM   1836  CD1 ILE B  19      73.581  62.801  10.265  1.00 15.65           C  
-ATOM   1837  N   PRO B  20      70.072  63.643   6.781  1.00 19.69           N  
-ATOM   1838  CA  PRO B  20      69.137  62.825   6.006  1.00 21.04           C  
-ATOM   1839  C   PRO B  20      69.248  61.359   6.343  1.00 22.66           C  
-ATOM   1840  O   PRO B  20      69.478  60.514   5.454  1.00 22.47           O  
-ATOM   1841  CB  PRO B  20      69.592  63.040   4.563  1.00 20.70           C  
-ATOM   1842  CG  PRO B  20      71.060  63.323   4.672  1.00 20.33           C  
-ATOM   1843  CD  PRO B  20      71.231  64.050   5.967  1.00 20.27           C  
-ATOM   1844  N   THR B  21      69.101  61.085   7.629  1.00 24.63           N  
-ATOM   1845  CA  THR B  21      69.112  59.734   8.158  1.00 27.42           C  
-ATOM   1846  C   THR B  21      67.944  58.932   7.531  1.00 28.61           C  
-ATOM   1847  O   THR B  21      66.787  59.379   7.533  1.00 29.04           O  
-ATOM   1848  CB  THR B  21      69.124  59.822   9.705  1.00 27.08           C  
-ATOM   1849  OG1 THR B  21      70.444  59.482  10.181  1.00 28.67           O  
-ATOM   1850  CG2 THR B  21      68.237  58.844  10.348  1.00 28.73           C  
-ATOM   1851  N   GLN B  22      68.322  57.831   6.876  1.00 29.66           N  
-ATOM   1852  CA  GLN B  22      67.429  56.868   6.213  1.00 31.47           C  
-ATOM   1853  C   GLN B  22      67.106  55.693   7.156  1.00 32.27           C  
-ATOM   1854  O   GLN B  22      67.903  54.786   7.326  1.00 31.60           O  
-ATOM   1855  CB  GLN B  22      68.087  56.297   4.936  1.00 31.39           C  
-ATOM   1856  CG  GLN B  22      67.899  57.104   3.644  1.00 31.30           C  
-ATOM   1857  CD  GLN B  22      68.565  56.442   2.416  1.00 33.77           C  
-ATOM   1858  OE1 GLN B  22      68.088  55.404   1.916  1.00 31.59           O  
-ATOM   1859  NE2 GLN B  22      69.661  57.042   1.933  1.00 30.42           N  
-ATOM   1860  N   ARG B  23      65.926  55.729   7.764  1.00 34.33           N  
-ATOM   1861  CA  ARG B  23      65.468  54.693   8.715  1.00 35.24           C  
-ATOM   1862  C   ARG B  23      66.478  54.392   9.868  1.00 35.37           C  
-ATOM   1863  O   ARG B  23      66.823  55.325  10.630  1.00 35.71           O  
-ATOM   1864  CB  ARG B  23      64.925  53.454   7.959  1.00 35.99           C  
-ATOM   1865  CG  ARG B  23      63.497  53.729   7.337  1.00 39.26           C  
-ATOM   1866  CD  ARG B  23      62.995  52.811   6.153  1.00 42.20           C  
-ATOM   1867  NE  ARG B  23      63.332  53.283   4.788  1.00 43.26           N  
-ATOM   1868  CZ  ARG B  23      63.483  54.563   4.396  1.00 43.75           C  
-ATOM   1869  NH1 ARG B  23      63.337  55.574   5.254  1.00 41.81           N  
-ATOM   1870  NH2 ARG B  23      63.797  54.831   3.126  1.00 43.59           N  
-ATOM   1871  N   ASP B  24      66.952  53.145  10.010  1.00 34.52           N  
-ATOM   1872  CA  ASP B  24      67.865  52.806  11.127  1.00 34.41           C  
-ATOM   1873  C   ASP B  24      69.412  53.046  10.927  1.00 33.19           C  
-ATOM   1874  O   ASP B  24      70.249  52.358  11.557  1.00 33.62           O  
-ATOM   1875  CB  ASP B  24      67.621  51.357  11.564  1.00 35.43           C  
-ATOM   1876  CG  ASP B  24      67.431  51.227  13.083  1.00 38.45           C  
-ATOM   1877  OD1 ASP B  24      68.150  51.957  13.822  1.00 40.54           O  
-ATOM   1878  OD2 ASP B  24      66.600  50.436  13.620  1.00 39.01           O  
-ATOM   1879  N   ARG B  25      69.787  54.014  10.089  1.00 29.60           N  
-ATOM   1880  CA  ARG B  25      71.101  53.963   9.456  1.00 27.39           C  
-ATOM   1881  C   ARG B  25      71.867  55.263   9.536  1.00 24.61           C  
-ATOM   1882  O   ARG B  25      71.275  56.331   9.448  1.00 23.03           O  
-ATOM   1883  CB  ARG B  25      70.953  53.623   7.968  1.00 28.44           C  
-ATOM   1884  CG  ARG B  25      71.254  52.197   7.593  1.00 30.36           C  
-ATOM   1885  CD  ARG B  25      70.453  51.713   6.407  1.00 33.97           C  
-ATOM   1886  NE  ARG B  25      69.271  51.034   6.906  1.00 36.33           N  
-ATOM   1887  CZ  ARG B  25      68.774  49.896   6.427  1.00 36.87           C  
-ATOM   1888  NH1 ARG B  25      69.342  49.288   5.394  1.00 37.28           N  
-ATOM   1889  NH2 ARG B  25      67.686  49.378   6.978  1.00 34.32           N  
-ATOM   1890  N   PRO B  26      73.187  55.156   9.688  1.00 22.54           N  
-ATOM   1891  CA  PRO B  26      74.068  56.329   9.515  1.00 20.81           C  
-ATOM   1892  C   PRO B  26      74.069  56.764   8.062  1.00 19.57           C  
-ATOM   1893  O   PRO B  26      73.995  55.922   7.169  1.00 18.89           O  
-ATOM   1894  CB  PRO B  26      75.454  55.810   9.885  1.00 20.83           C  
-ATOM   1895  CG  PRO B  26      75.342  54.259   9.801  1.00 21.26           C  
-ATOM   1896  CD  PRO B  26      73.922  53.917  10.051  1.00 22.00           C  
-ATOM   1897  N   VAL B  27      74.143  58.068   7.826  1.00 18.26           N  
-ATOM   1898  CA  VAL B  27      74.419  58.601   6.492  1.00 17.32           C  
-ATOM   1899  C   VAL B  27      75.848  58.231   6.101  1.00 16.85           C  
-ATOM   1900  O   VAL B  27      76.807  58.618   6.779  1.00 16.54           O  
-ATOM   1901  CB  VAL B  27      74.318  60.147   6.476  1.00 17.62           C  
-ATOM   1902  CG1 VAL B  27      74.732  60.695   5.096  1.00 17.11           C  
-ATOM   1903  CG2 VAL B  27      72.928  60.624   6.904  1.00 17.25           C  
-ATOM   1904  N   ALA B  28      75.982  57.466   5.022  1.00 16.18           N  
-ATOM   1905  CA  ALA B  28      77.288  57.041   4.523  1.00 15.73           C  
-ATOM   1906  C   ALA B  28      77.904  58.164   3.710  1.00 15.51           C  
-ATOM   1907  O   ALA B  28      77.421  58.498   2.621  1.00 14.90           O  
-ATOM   1908  CB  ALA B  28      77.145  55.791   3.683  1.00 15.23           C  
-ATOM   1909  N   VAL B  29      78.987  58.725   4.226  1.00 15.38           N  
-ATOM   1910  CA  VAL B  29      79.650  59.836   3.565  1.00 15.92           C  
-ATOM   1911  C   VAL B  29      80.981  59.333   3.016  1.00 16.86           C  
-ATOM   1912  O   VAL B  29      81.706  58.649   3.719  1.00 16.39           O  
-ATOM   1913  CB  VAL B  29      79.890  61.045   4.572  1.00 15.79           C  
-ATOM   1914  CG1 VAL B  29      80.657  62.153   3.922  1.00 14.22           C  
-ATOM   1915  CG2 VAL B  29      78.567  61.539   5.159  1.00 14.83           C  
-ATOM   1916  N   SER B  30      81.284  59.651   1.754  1.00 17.51           N  
-ATOM   1917  CA  SER B  30      82.584  59.291   1.182  1.00 18.94           C  
-ATOM   1918  C   SER B  30      83.376  60.542   1.020  1.00 19.22           C  
-ATOM   1919  O   SER B  30      82.814  61.575   0.612  1.00 19.33           O  
-ATOM   1920  CB  SER B  30      82.488  58.584  -0.182  1.00 18.46           C  
-ATOM   1921  OG  SER B  30      81.667  57.444  -0.097  1.00 20.79           O  
-ATOM   1922  N   VAL B  31      84.653  60.452   1.396  1.00 19.55           N  
-ATOM   1923  CA  VAL B  31      85.588  61.569   1.339  1.00 20.58           C  
-ATOM   1924  C   VAL B  31      86.850  61.129   0.657  1.00 20.87           C  
-ATOM   1925  O   VAL B  31      87.339  59.993   0.826  1.00 20.89           O  
-ATOM   1926  CB  VAL B  31      85.997  62.172   2.715  1.00 21.34           C  
-ATOM   1927  CG1 VAL B  31      86.415  63.719   2.541  1.00 20.70           C  
-ATOM   1928  CG2 VAL B  31      84.894  62.018   3.736  1.00 22.30           C  
-ATOM   1929  N   SER B  32      87.397  62.051  -0.111  1.00 21.26           N  
-ATOM   1930  CA  SER B  32      88.641  61.822  -0.830  1.00 22.55           C  
-ATOM   1931  C   SER B  32      89.284  63.206  -1.080  1.00 22.36           C  
-ATOM   1932  O   SER B  32      88.595  64.167  -1.441  1.00 22.48           O  
-ATOM   1933  CB  SER B  32      88.315  61.082  -2.116  1.00 22.64           C  
-ATOM   1934  OG  SER B  32      89.406  61.049  -2.987  1.00 27.25           O  
-ATOM   1935  N   LEU B  33      90.577  63.325  -0.804  1.00 21.91           N  
-ATOM   1936  CA  LEU B  33      91.290  64.568  -0.996  1.00 21.43           C  
-ATOM   1937  C   LEU B  33      92.139  64.467  -2.242  1.00 21.44           C  
-ATOM   1938  O   LEU B  33      92.974  63.578  -2.350  1.00 21.63           O  
-ATOM   1939  CB  LEU B  33      92.175  64.880   0.204  1.00 21.07           C  
-ATOM   1940  CG  LEU B  33      91.551  64.925   1.608  1.00 21.12           C  
-ATOM   1941  CD1 LEU B  33      92.515  65.504   2.618  1.00 19.18           C  
-ATOM   1942  CD2 LEU B  33      90.227  65.713   1.614  1.00 20.76           C  
-ATOM   1943  N   LYS B  34      91.909  65.353  -3.198  1.00 20.94           N  
-ATOM   1944  CA  LYS B  34      92.717  65.372  -4.418  1.00 20.38           C  
-ATOM   1945  C   LYS B  34      93.661  66.544  -4.266  1.00 19.60           C  
-ATOM   1946  O   LYS B  34      93.243  67.693  -4.299  1.00 19.07           O  
-ATOM   1947  CB  LYS B  34      91.872  65.560  -5.674  1.00 20.96           C  
-ATOM   1948  CG  LYS B  34      90.626  64.689  -5.751  1.00 23.59           C  
-ATOM   1949  CD  LYS B  34      90.968  63.247  -6.168  1.00 27.48           C  
-ATOM   1950  CE  LYS B  34      89.737  62.354  -5.913  1.00 30.72           C  
-ATOM   1951  NZ  LYS B  34      90.050  60.895  -6.009  1.00 33.66           N  
-ATOM   1952  N   PHE B  35      94.937  66.242  -4.087  1.00 18.31           N  
-ATOM   1953  CA  PHE B  35      95.916  67.262  -3.809  1.00 17.38           C  
-ATOM   1954  C   PHE B  35      96.317  67.989  -5.059  1.00 16.66           C  
-ATOM   1955  O   PHE B  35      96.636  67.379  -6.052  1.00 16.34           O  
-ATOM   1956  CB  PHE B  35      97.120  66.643  -3.084  1.00 17.22           C  
-ATOM   1957  CG  PHE B  35      96.787  66.177  -1.688  1.00 17.28           C  
-ATOM   1958  CD1 PHE B  35      96.733  67.073  -0.653  1.00 17.92           C  
-ATOM   1959  CD2 PHE B  35      96.493  64.839  -1.431  1.00 17.89           C  
-ATOM   1960  CE1 PHE B  35      96.391  66.656   0.644  1.00 19.01           C  
-ATOM   1961  CE2 PHE B  35      96.151  64.417  -0.156  1.00 17.72           C  
-ATOM   1962  CZ  PHE B  35      96.105  65.312   0.880  1.00 17.93           C  
-ATOM   1963  N   ILE B  36      96.298  69.312  -4.981  1.00 16.07           N  
-ATOM   1964  CA  ILE B  36      96.557  70.178  -6.120  1.00 15.71           C  
-ATOM   1965  C   ILE B  36      97.902  70.873  -5.943  1.00 16.22           C  
-ATOM   1966  O   ILE B  36      98.693  70.991  -6.879  1.00 15.15           O  
-ATOM   1967  CB  ILE B  36      95.407  71.239  -6.301  1.00 15.68           C  
-ATOM   1968  CG1 ILE B  36      94.016  70.566  -6.201  1.00 15.13           C  
-ATOM   1969  CG2 ILE B  36      95.596  72.017  -7.622  1.00 14.55           C  
-ATOM   1970  CD1 ILE B  36      93.774  69.474  -7.293  1.00 13.12           C  
-ATOM   1971  N   ASN B  37      98.148  71.350  -4.726  1.00 16.67           N  
-ATOM   1972  CA  ASN B  37      99.371  72.054  -4.456  1.00 18.00           C  
-ATOM   1973  C   ASN B  37      99.807  72.040  -3.018  1.00 18.42           C  
-ATOM   1974  O   ASN B  37      98.994  71.985  -2.120  1.00 18.44           O  
-ATOM   1975  CB  ASN B  37      99.300  73.487  -4.938  1.00 17.65           C  
-ATOM   1976  CG  ASN B  37     100.521  73.858  -5.745  1.00 19.77           C  
-ATOM   1977  OD1 ASN B  37     101.713  73.609  -5.323  1.00 19.36           O  
-ATOM   1978  ND2 ASN B  37     100.274  74.388  -6.924  1.00 16.18           N  
-ATOM   1979  N   ILE B  38     101.112  72.073  -2.823  1.00 18.82           N  
-ATOM   1980  CA  ILE B  38     101.672  72.192  -1.499  1.00 19.22           C  
-ATOM   1981  C   ILE B  38     102.407  73.528  -1.579  1.00 20.04           C  
-ATOM   1982  O   ILE B  38     103.386  73.673  -2.311  1.00 20.19           O  
-ATOM   1983  CB  ILE B  38     102.591  71.033  -1.182  1.00 19.37           C  
-ATOM   1984  CG1 ILE B  38     101.805  69.715  -1.108  1.00 19.64           C  
-ATOM   1985  CG2 ILE B  38     103.272  71.254   0.148  1.00 19.35           C  
-ATOM   1986  CD1 ILE B  38     102.640  68.504  -1.348  1.00 19.64           C  
-ATOM   1987  N   LEU B  39     101.903  74.516  -0.854  1.00 20.71           N  
-ATOM   1988  CA  LEU B  39     102.427  75.882  -0.936  1.00 21.63           C  
-ATOM   1989  C   LEU B  39     103.532  76.257   0.026  1.00 22.43           C  
-ATOM   1990  O   LEU B  39     104.334  77.151  -0.264  1.00 23.19           O  
-ATOM   1991  CB  LEU B  39     101.301  76.853  -0.733  1.00 21.40           C  
-ATOM   1992  CG  LEU B  39     100.143  76.494  -1.668  1.00 22.86           C  
-ATOM   1993  CD1 LEU B  39      98.940  77.231  -1.237  1.00 23.60           C  
-ATOM   1994  CD2 LEU B  39     100.506  76.779  -3.109  1.00 23.13           C  
-ATOM   1995  N   GLU B  40     103.551  75.615   1.187  1.00 22.41           N  
-ATOM   1996  CA  GLU B  40     104.540  75.918   2.198  1.00 23.11           C  
-ATOM   1997  C   GLU B  40     104.699  74.741   3.138  1.00 22.12           C  
-ATOM   1998  O   GLU B  40     103.736  74.061   3.495  1.00 22.02           O  
-ATOM   1999  CB  GLU B  40     104.153  77.151   3.000  1.00 23.51           C  
-ATOM   2000  CG  GLU B  40     105.295  77.713   3.829  1.00 27.24           C  
-ATOM   2001  CD  GLU B  40     104.870  78.908   4.663  1.00 32.43           C  
-ATOM   2002  OE1 GLU B  40     103.653  79.016   4.992  1.00 33.30           O  
-ATOM   2003  OE2 GLU B  40     105.768  79.730   4.998  1.00 34.13           O  
-ATOM   2004  N   VAL B  41     105.938  74.514   3.507  1.00 21.07           N  
-ATOM   2005  CA  VAL B  41     106.304  73.414   4.349  1.00 20.63           C  
-ATOM   2006  C   VAL B  41     107.315  73.982   5.351  1.00 20.31           C  
-ATOM   2007  O   VAL B  41     108.210  74.759   4.998  1.00 19.35           O  
-ATOM   2008  CB  VAL B  41     106.838  72.262   3.446  1.00 20.85           C  
-ATOM   2009  CG1 VAL B  41     107.894  71.471   4.080  1.00 20.79           C  
-ATOM   2010  CG2 VAL B  41     105.680  71.391   2.974  1.00 20.25           C  
-ATOM   2011  N   ASN B  42     107.147  73.616   6.615  1.00 20.26           N  
-ATOM   2012  CA  ASN B  42     108.099  74.043   7.630  1.00 20.54           C  
-ATOM   2013  C   ASN B  42     108.524  72.880   8.490  1.00 20.74           C  
-ATOM   2014  O   ASN B  42     107.729  72.375   9.266  1.00 20.48           O  
-ATOM   2015  CB  ASN B  42     107.533  75.203   8.444  1.00 20.45           C  
-ATOM   2016  CG  ASN B  42     108.586  75.877   9.333  1.00 20.65           C  
-ATOM   2017  OD1 ASN B  42     109.463  75.231   9.898  1.00 21.10           O  
-ATOM   2018  ND2 ASN B  42     108.466  77.179   9.479  1.00 19.14           N  
-ATOM   2019  N   GLU B  43     109.783  72.451   8.330  1.00 21.44           N  
-ATOM   2020  CA  GLU B  43     110.281  71.236   8.964  1.00 21.78           C  
-ATOM   2021  C   GLU B  43     110.568  71.476  10.439  1.00 21.87           C  
-ATOM   2022  O   GLU B  43     110.502  70.549  11.246  1.00 21.34           O  
-ATOM   2023  CB  GLU B  43     111.498  70.660   8.209  1.00 22.27           C  
-ATOM   2024  CG  GLU B  43     111.567  69.126   8.239  1.00 24.54           C  
-ATOM   2025  CD  GLU B  43     112.793  68.525   7.551  1.00 27.48           C  
-ATOM   2026  OE1 GLU B  43     113.233  69.069   6.496  1.00 28.91           O  
-ATOM   2027  OE2 GLU B  43     113.296  67.488   8.059  1.00 27.52           O  
-ATOM   2028  N   ILE B  44     110.867  72.733  10.791  1.00 21.86           N  
-ATOM   2029  CA  ILE B  44     111.056  73.112  12.192  1.00 21.82           C  
-ATOM   2030  C   ILE B  44     109.727  73.077  12.969  1.00 21.43           C  
-ATOM   2031  O   ILE B  44     109.669  72.525  14.045  1.00 21.29           O  
-ATOM   2032  CB  ILE B  44     111.712  74.519  12.336  1.00 22.41           C  
-ATOM   2033  CG1 ILE B  44     113.047  74.642  11.554  1.00 22.99           C  
-ATOM   2034  CG2 ILE B  44     111.888  74.887  13.815  1.00 22.40           C  
-ATOM   2035  CD1 ILE B  44     114.097  73.570  11.893  1.00 24.15           C  
-ATOM   2036  N   THR B  45     108.670  73.661  12.416  1.00 20.64           N  
-ATOM   2037  CA  THR B  45     107.402  73.774  13.129  1.00 20.07           C  
-ATOM   2038  C   THR B  45     106.476  72.615  12.822  1.00 19.59           C  
-ATOM   2039  O   THR B  45     105.508  72.425  13.529  1.00 19.62           O  
-ATOM   2040  CB  THR B  45     106.661  75.130  12.846  1.00 20.23           C  
-ATOM   2041  OG1 THR B  45     106.311  75.199  11.462  1.00 20.39           O  
-ATOM   2042  CG2 THR B  45     107.581  76.360  13.053  1.00 20.09           C  
-ATOM   2043  N   ASN B  46     106.789  71.826  11.794  1.00 19.18           N  
-ATOM   2044  CA  ASN B  46     105.945  70.679  11.407  1.00 18.81           C  
-ATOM   2045  C   ASN B  46     104.558  71.165  10.925  1.00 18.43           C  
-ATOM   2046  O   ASN B  46     103.508  70.716  11.385  1.00 17.98           O  
-ATOM   2047  CB  ASN B  46     105.819  69.639  12.544  1.00 17.79           C  
-ATOM   2048  CG  ASN B  46     106.847  68.513  12.436  1.00 18.15           C  
-ATOM   2049  OD1 ASN B  46     107.328  68.173  11.351  1.00 16.92           O  
-ATOM   2050  ND2 ASN B  46     107.192  67.929  13.587  1.00 15.36           N  
-ATOM   2051  N   GLU B  47     104.582  72.114  10.004  1.00 18.79           N  
-ATOM   2052  CA  GLU B  47     103.369  72.724   9.501  1.00 19.22           C  
-ATOM   2053  C   GLU B  47     103.439  72.728   7.998  1.00 19.46           C  
-ATOM   2054  O   GLU B  47     104.513  72.914   7.437  1.00 19.69           O  
-ATOM   2055  CB  GLU B  47     103.215  74.156  10.053  1.00 19.43           C  
-ATOM   2056  CG  GLU B  47     102.854  74.231  11.549  1.00 21.29           C  
-ATOM   2057  CD  GLU B  47     102.924  75.661  12.131  1.00 26.00           C  
-ATOM   2058  OE1 GLU B  47     102.741  76.645  11.362  1.00 28.26           O  
-ATOM   2059  OE2 GLU B  47     103.161  75.827  13.358  1.00 27.87           O  
-ATOM   2060  N   VAL B  48     102.307  72.495   7.344  1.00 19.33           N  
-ATOM   2061  CA  VAL B  48     102.226  72.507   5.900  1.00 19.92           C  
-ATOM   2062  C   VAL B  48     100.986  73.297   5.502  1.00 19.86           C  
-ATOM   2063  O   VAL B  48      99.992  73.267   6.199  1.00 19.60           O  
-ATOM   2064  CB  VAL B  48     102.168  71.052   5.292  1.00 19.89           C  
-ATOM   2065  CG1 VAL B  48     103.327  70.187   5.775  1.00 20.41           C  
-ATOM   2066  CG2 VAL B  48     100.896  70.381   5.622  1.00 20.55           C  
-ATOM   2067  N   ASP B  49     101.066  73.981   4.375  1.00 20.55           N  
-ATOM   2068  CA  ASP B  49      99.973  74.746   3.751  1.00 21.02           C  
-ATOM   2069  C   ASP B  49      99.646  74.032   2.447  1.00 20.53           C  
-ATOM   2070  O   ASP B  49     100.523  73.859   1.603  1.00 19.84           O  
-ATOM   2071  CB  ASP B  49     100.523  76.162   3.470  1.00 22.07           C  
-ATOM   2072  CG  ASP B  49      99.446  77.224   3.211  1.00 24.83           C  
-ATOM   2073  OD1 ASP B  49      98.251  76.942   2.946  1.00 28.45           O  
-ATOM   2074  OD2 ASP B  49      99.741  78.431   3.236  1.00 28.79           O  
-ATOM   2075  N   VAL B  50      98.395  73.602   2.284  1.00 20.21           N  
-ATOM   2076  CA  VAL B  50      98.013  72.748   1.142  1.00 20.10           C  
-ATOM   2077  C   VAL B  50      96.716  73.171   0.452  1.00 19.17           C  
-ATOM   2078  O   VAL B  50      95.827  73.766   1.072  1.00 18.71           O  
-ATOM   2079  CB  VAL B  50      97.857  71.251   1.594  1.00 20.76           C  
-ATOM   2080  CG1 VAL B  50      97.524  70.385   0.402  1.00 22.28           C  
-ATOM   2081  CG2 VAL B  50      99.145  70.741   2.209  1.00 21.95           C  
-ATOM   2082  N   VAL B  51      96.607  72.870  -0.837  1.00 18.18           N  
-ATOM   2083  CA  VAL B  51      95.385  73.094  -1.589  1.00 16.88           C  
-ATOM   2084  C   VAL B  51      94.923  71.775  -2.155  1.00 16.56           C  
-ATOM   2085  O   VAL B  51      95.698  71.086  -2.860  1.00 15.63           O  
-ATOM   2086  CB  VAL B  51      95.568  74.069  -2.771  1.00 17.28           C  
-ATOM   2087  CG1 VAL B  51      94.248  74.271  -3.492  1.00 16.99           C  
-ATOM   2088  CG2 VAL B  51      96.116  75.386  -2.335  1.00 16.66           C  
-ATOM   2089  N   PHE B  52      93.660  71.429  -1.860  1.00 14.77           N  
-ATOM   2090  CA  PHE B  52      93.099  70.172  -2.337  1.00 14.86           C  
-ATOM   2091  C   PHE B  52      91.635  70.310  -2.665  1.00 15.05           C  
-ATOM   2092  O   PHE B  52      90.927  71.130  -2.075  1.00 13.79           O  
-ATOM   2093  CB  PHE B  52      93.279  69.067  -1.284  1.00 14.41           C  
-ATOM   2094  CG  PHE B  52      92.759  69.452   0.099  1.00 13.67           C  
-ATOM   2095  CD1 PHE B  52      93.601  70.092   1.032  1.00 10.52           C  
-ATOM   2096  CD2 PHE B  52      91.443  69.179   0.457  1.00 13.58           C  
-ATOM   2097  CE1 PHE B  52      93.111  70.457   2.323  1.00 13.46           C  
-ATOM   2098  CE2 PHE B  52      90.931  69.533   1.772  1.00 16.26           C  
-ATOM   2099  CZ  PHE B  52      91.762  70.182   2.679  1.00 15.67           C  
-ATOM   2100  N   TRP B  53      91.176  69.477  -3.583  1.00 15.56           N  
-ATOM   2101  CA  TRP B  53      89.748  69.288  -3.790  1.00 16.77           C  
-ATOM   2102  C   TRP B  53      89.202  68.230  -2.834  1.00 17.66           C  
-ATOM   2103  O   TRP B  53      89.633  67.072  -2.874  1.00 17.12           O  
-ATOM   2104  CB  TRP B  53      89.473  68.860  -5.226  1.00 16.06           C  
-ATOM   2105  CG  TRP B  53      90.033  69.781  -6.226  1.00 16.35           C  
-ATOM   2106  CD1 TRP B  53      90.465  71.061  -6.019  1.00 15.97           C  
-ATOM   2107  CD2 TRP B  53      90.193  69.527  -7.629  1.00 15.84           C  
-ATOM   2108  NE1 TRP B  53      90.891  71.605  -7.206  1.00 16.52           N  
-ATOM   2109  CE2 TRP B  53      90.729  70.692  -8.206  1.00 16.38           C  
-ATOM   2110  CE3 TRP B  53      89.954  68.415  -8.450  1.00 17.98           C  
-ATOM   2111  CZ2 TRP B  53      91.056  70.782  -9.567  1.00 18.55           C  
-ATOM   2112  CZ3 TRP B  53      90.235  68.503  -9.807  1.00 18.94           C  
-ATOM   2113  CH2 TRP B  53      90.786  69.680 -10.353  1.00 19.29           C  
-ATOM   2114  N   GLN B  54      88.251  68.628  -1.992  1.00 18.24           N  
-ATOM   2115  CA  GLN B  54      87.678  67.705  -1.014  1.00 19.22           C  
-ATOM   2116  C   GLN B  54      86.417  67.053  -1.603  1.00 19.03           C  
-ATOM   2117  O   GLN B  54      85.314  67.532  -1.388  1.00 19.43           O  
-ATOM   2118  CB  GLN B  54      87.398  68.429   0.314  1.00 19.57           C  
-ATOM   2119  CG  GLN B  54      86.940  67.537   1.469  1.00 22.75           C  
-ATOM   2120  CD  GLN B  54      86.917  68.286   2.781  1.00 27.55           C  
-ATOM   2121  OE1 GLN B  54      87.967  68.690   3.282  1.00 28.85           O  
-ATOM   2122  NE2 GLN B  54      85.720  68.485   3.341  1.00 29.29           N  
-ATOM   2123  N   GLN B  55      86.596  65.957  -2.337  1.00 18.87           N  
-ATOM   2124  CA  GLN B  55      85.506  65.257  -2.964  1.00 19.33           C  
-ATOM   2125  C   GLN B  55      84.630  64.587  -1.895  1.00 19.37           C  
-ATOM   2126  O   GLN B  55      85.078  63.660  -1.205  1.00 18.85           O  
-ATOM   2127  CB  GLN B  55      86.037  64.209  -3.941  1.00 19.71           C  
-ATOM   2128  CG  GLN B  55      84.942  63.347  -4.557  1.00 21.61           C  
-ATOM   2129  CD  GLN B  55      85.452  62.419  -5.636  1.00 26.30           C  
-ATOM   2130  OE1 GLN B  55      86.597  62.513  -6.050  1.00 28.39           O  
-ATOM   2131  NE2 GLN B  55      84.600  61.519  -6.095  1.00 26.78           N  
-ATOM   2132  N   THR B  56      83.402  65.082  -1.762  1.00 18.74           N  
-ATOM   2133  CA  THR B  56      82.482  64.632  -0.743  1.00 19.40           C  
-ATOM   2134  C   THR B  56      81.161  64.177  -1.315  1.00 19.44           C  
-ATOM   2135  O   THR B  56      80.502  64.880  -2.074  1.00 19.60           O  
-ATOM   2136  CB  THR B  56      82.238  65.724   0.310  1.00 19.93           C  
-ATOM   2137  OG1 THR B  56      83.447  66.461   0.500  1.00 22.08           O  
-ATOM   2138  CG2 THR B  56      81.978  65.111   1.671  1.00 19.25           C  
-ATOM   2139  N   THR B  57      80.767  62.985  -0.919  1.00 18.85           N  
-ATOM   2140  CA  THR B  57      79.657  62.309  -1.545  1.00 19.02           C  
-ATOM   2141  C   THR B  57      78.741  61.715  -0.462  1.00 18.25           C  
-ATOM   2142  O   THR B  57      79.226  61.217   0.564  1.00 17.57           O  
-ATOM   2143  CB  THR B  57      80.288  61.253  -2.461  1.00 19.85           C  
-ATOM   2144  OG1 THR B  57      80.204  61.675  -3.832  1.00 21.71           O  
-ATOM   2145  CG2 THR B  57      79.616  59.910  -2.348  1.00 21.16           C  
-ATOM   2146  N   TRP B  58      77.429  61.827  -0.665  1.00 16.88           N  
-ATOM   2147  CA  TRP B  58      76.445  61.251   0.235  1.00 17.00           C  
-ATOM   2148  C   TRP B  58      75.097  61.288  -0.436  1.00 17.03           C  
-ATOM   2149  O   TRP B  58      74.907  61.943  -1.456  1.00 17.03           O  
-ATOM   2150  CB  TRP B  58      76.378  61.971   1.595  1.00 16.39           C  
-ATOM   2151  CG  TRP B  58      75.769  63.333   1.507  1.00 16.40           C  
-ATOM   2152  CD1 TRP B  58      74.451  63.664   1.692  1.00 16.20           C  
-ATOM   2153  CD2 TRP B  58      76.450  64.557   1.172  1.00 14.65           C  
-ATOM   2154  NE1 TRP B  58      74.274  65.013   1.495  1.00 15.44           N  
-ATOM   2155  CE2 TRP B  58      75.486  65.589   1.192  1.00 14.16           C  
-ATOM   2156  CE3 TRP B  58      77.784  64.883   0.881  1.00 13.58           C  
-ATOM   2157  CZ2 TRP B  58      75.802  66.927   0.907  1.00 13.42           C  
-ATOM   2158  CZ3 TRP B  58      78.118  66.225   0.613  1.00 13.61           C  
-ATOM   2159  CH2 TRP B  58      77.116  67.218   0.601  1.00 15.10           C  
-ATOM   2160  N   SER B  59      74.147  60.615   0.177  1.00 17.53           N  
-ATOM   2161  CA  SER B  59      72.831  60.494  -0.387  1.00 18.63           C  
-ATOM   2162  C   SER B  59      71.824  61.221   0.507  1.00 18.45           C  
-ATOM   2163  O   SER B  59      71.882  61.175   1.732  1.00 18.05           O  
-ATOM   2164  CB  SER B  59      72.492  59.007  -0.521  1.00 18.64           C  
-ATOM   2165  OG  SER B  59      71.106  58.840  -0.353  1.00 22.26           O  
-ATOM   2166  N   ASP B  60      70.906  61.934  -0.122  1.00 19.25           N  
-ATOM   2167  CA  ASP B  60      69.791  62.551   0.603  1.00 19.60           C  
-ATOM   2168  C   ASP B  60      68.508  62.346  -0.196  1.00 19.28           C  
-ATOM   2169  O   ASP B  60      68.261  63.070  -1.163  1.00 18.41           O  
-ATOM   2170  CB  ASP B  60      70.064  64.047   0.815  1.00 19.79           C  
-ATOM   2171  CG  ASP B  60      69.005  64.727   1.697  1.00 21.98           C  
-ATOM   2172  OD1 ASP B  60      67.890  64.169   1.915  1.00 21.88           O  
-ATOM   2173  OD2 ASP B  60      69.214  65.816   2.257  1.00 24.10           O  
-ATOM   2174  N   ARG B  61      67.708  61.354   0.201  1.00 19.45           N  
-ATOM   2175  CA  ARG B  61      66.505  60.995  -0.570  1.00 19.64           C  
-ATOM   2176  C   ARG B  61      65.418  62.071  -0.503  1.00 18.83           C  
-ATOM   2177  O   ARG B  61      64.586  62.139  -1.373  1.00 18.69           O  
-ATOM   2178  CB  ARG B  61      65.929  59.620  -0.179  1.00 19.82           C  
-ATOM   2179  CG  ARG B  61      66.881  58.395  -0.280  1.00 22.88           C  
-ATOM   2180  CD  ARG B  61      67.345  57.987  -1.670  1.00 24.69           C  
-ATOM   2181  NE  ARG B  61      68.804  57.711  -1.703  1.00 30.61           N  
-ATOM   2182  CZ  ARG B  61      69.396  56.713  -2.407  1.00 33.33           C  
-ATOM   2183  NH1 ARG B  61      68.661  55.885  -3.155  1.00 33.08           N  
-ATOM   2184  NH2 ARG B  61      70.724  56.542  -2.368  1.00 33.24           N  
-ATOM   2185  N   THR B  62      65.426  62.934   0.510  1.00 20.48           N  
-ATOM   2186  CA  THR B  62      64.462  64.052   0.508  1.00 20.82           C  
-ATOM   2187  C   THR B  62      64.635  64.976  -0.716  1.00 20.42           C  
-ATOM   2188  O   THR B  62      63.698  65.679  -1.079  1.00 20.47           O  
-ATOM   2189  CB  THR B  62      64.457  64.872   1.834  1.00 21.15           C  
-ATOM   2190  OG1 THR B  62      65.704  65.552   2.008  1.00 22.94           O  
-ATOM   2191  CG2 THR B  62      64.375  63.958   3.079  1.00 22.02           C  
-ATOM   2192  N   LEU B  63      65.802  64.942  -1.366  1.00 19.77           N  
-ATOM   2193  CA  LEU B  63      66.067  65.800  -2.531  1.00 19.32           C  
-ATOM   2194  C   LEU B  63      65.557  65.190  -3.858  1.00 19.60           C  
-ATOM   2195  O   LEU B  63      65.452  65.880  -4.888  1.00 19.77           O  
-ATOM   2196  CB  LEU B  63      67.556  66.070  -2.654  1.00 18.85           C  
-ATOM   2197  CG  LEU B  63      68.285  66.699  -1.460  1.00 19.98           C  
-ATOM   2198  CD1 LEU B  63      69.764  66.819  -1.767  1.00 18.85           C  
-ATOM   2199  CD2 LEU B  63      67.715  68.065  -1.138  1.00 19.41           C  
-ATOM   2200  N   ALA B  64      65.239  63.910  -3.830  1.00 18.58           N  
-ATOM   2201  CA  ALA B  64      64.937  63.159  -5.027  1.00 18.64           C  
-ATOM   2202  C   ALA B  64      63.724  63.683  -5.775  1.00 18.69           C  
-ATOM   2203  O   ALA B  64      62.780  64.215  -5.189  1.00 18.91           O  
-ATOM   2204  CB  ALA B  64      64.728  61.641  -4.668  1.00 18.50           C  
-ATOM   2205  N   TRP B  65      63.746  63.526  -7.092  1.00 18.66           N  
-ATOM   2206  CA  TRP B  65      62.592  63.861  -7.916  1.00 18.45           C  
-ATOM   2207  C   TRP B  65      62.513  62.880  -9.078  1.00 18.91           C  
-ATOM   2208  O   TRP B  65      63.509  62.278  -9.478  1.00 18.73           O  
-ATOM   2209  CB  TRP B  65      62.662  65.317  -8.430  1.00 17.74           C  
-ATOM   2210  CG  TRP B  65      63.778  65.576  -9.424  1.00 16.26           C  
-ATOM   2211  CD1 TRP B  65      63.692  65.491 -10.781  1.00 14.80           C  
-ATOM   2212  CD2 TRP B  65      65.145  65.942  -9.133  1.00 13.57           C  
-ATOM   2213  NE1 TRP B  65      64.912  65.777 -11.347  1.00 13.58           N  
-ATOM   2214  CE2 TRP B  65      65.814  66.068 -10.355  1.00 12.29           C  
-ATOM   2215  CE3 TRP B  65      65.862  66.178  -7.961  1.00 12.67           C  
-ATOM   2216  CZ2 TRP B  65      67.150  66.410 -10.445  1.00 11.45           C  
-ATOM   2217  CZ3 TRP B  65      67.226  66.525  -8.065  1.00 12.09           C  
-ATOM   2218  CH2 TRP B  65      67.836  66.622  -9.290  1.00 11.44           C  
-ATOM   2219  N   ASN B  66      61.313  62.729  -9.617  1.00 19.73           N  
-ATOM   2220  CA  ASN B  66      61.098  61.917 -10.808  1.00 20.67           C  
-ATOM   2221  C   ASN B  66      61.623  62.633 -12.051  1.00 20.73           C  
-ATOM   2222  O   ASN B  66      61.066  63.653 -12.475  1.00 20.88           O  
-ATOM   2223  CB  ASN B  66      59.605  61.660 -10.962  1.00 21.03           C  
-ATOM   2224  CG  ASN B  66      59.280  60.633 -12.051  1.00 22.84           C  
-ATOM   2225  OD1 ASN B  66      60.020  60.462 -13.032  1.00 23.27           O  
-ATOM   2226  ND2 ASN B  66      58.137  59.951 -11.886  1.00 25.22           N  
-ATOM   2227  N   SER B  67      62.674  62.099 -12.654  1.00 21.50           N  
-ATOM   2228  CA  SER B  67      63.204  62.699 -13.863  1.00 21.82           C  
-ATOM   2229  C   SER B  67      63.075  61.800 -15.099  1.00 22.58           C  
-ATOM   2230  O   SER B  67      63.992  61.724 -15.918  1.00 22.67           O  
-ATOM   2231  CB  SER B  67      64.643  63.106 -13.653  1.00 21.58           C  
-ATOM   2232  OG  SER B  67      65.404  61.987 -13.307  1.00 21.63           O  
-ATOM   2233  N   SER B  68      61.930  61.136 -15.231  1.00 23.01           N  
-ATOM   2234  CA  SER B  68      61.595  60.397 -16.450  1.00 23.39           C  
-ATOM   2235  C   SER B  68      61.531  61.332 -17.666  1.00 23.39           C  
-ATOM   2236  O   SER B  68      61.921  60.972 -18.788  1.00 23.03           O  
-ATOM   2237  CB  SER B  68      60.248  59.698 -16.273  1.00 23.68           C  
-ATOM   2238  OG  SER B  68      59.276  60.593 -15.736  1.00 25.00           O  
-ATOM   2239  N   HIS B  69      61.030  62.540 -17.434  1.00 23.45           N  
-ATOM   2240  CA  HIS B  69      60.946  63.531 -18.490  1.00 23.41           C  
-ATOM   2241  C   HIS B  69      61.514  64.878 -18.041  1.00 23.29           C  
-ATOM   2242  O   HIS B  69      60.965  65.911 -18.438  1.00 23.85           O  
-ATOM   2243  CB  HIS B  69      59.489  63.716 -18.934  1.00 23.60           C  
-ATOM   2244  CG  HIS B  69      58.769  62.436 -19.257  1.00 23.74           C  
-ATOM   2245  ND1 HIS B  69      58.805  61.858 -20.507  1.00 22.96           N  
-ATOM   2246  CD2 HIS B  69      57.970  61.643 -18.499  1.00 23.20           C  
-ATOM   2247  CE1 HIS B  69      58.069  60.757 -20.504  1.00 23.58           C  
-ATOM   2248  NE2 HIS B  69      57.552  60.603 -19.298  1.00 23.74           N  
-ATOM   2249  N   SER B  70      62.591  64.863 -17.233  1.00 22.40           N  
-ATOM   2250  CA  SER B  70      63.204  66.070 -16.643  1.00 21.99           C  
-ATOM   2251  C   SER B  70      64.735  65.953 -16.602  1.00 21.81           C  
-ATOM   2252  O   SER B  70      65.257  64.840 -16.707  1.00 21.64           O  
-ATOM   2253  CB  SER B  70      62.674  66.307 -15.222  1.00 21.80           C  
-ATOM   2254  OG  SER B  70      61.265  66.419 -15.197  1.00 22.20           O  
-ATOM   2255  N   PRO B  71      65.451  67.078 -16.451  1.00 21.48           N  
-ATOM   2256  CA  PRO B  71      66.896  67.027 -16.170  1.00 21.23           C  
-ATOM   2257  C   PRO B  71      67.126  66.141 -14.966  1.00 20.72           C  
-ATOM   2258  O   PRO B  71      66.319  66.169 -14.035  1.00 20.25           O  
-ATOM   2259  CB  PRO B  71      67.240  68.475 -15.825  1.00 21.12           C  
-ATOM   2260  CG  PRO B  71      66.204  69.281 -16.544  1.00 21.27           C  
-ATOM   2261  CD  PRO B  71      64.962  68.465 -16.557  1.00 21.38           C  
-ATOM   2262  N   ASP B  72      68.185  65.348 -14.986  1.00 20.43           N  
-ATOM   2263  CA  ASP B  72      68.402  64.443 -13.876  1.00 21.17           C  
-ATOM   2264  C   ASP B  72      69.469  64.897 -12.880  1.00 19.94           C  
-ATOM   2265  O   ASP B  72      69.737  64.184 -11.922  1.00 19.94           O  
-ATOM   2266  CB  ASP B  72      68.660  63.018 -14.386  1.00 22.56           C  
-ATOM   2267  CG  ASP B  72      70.087  62.807 -14.807  1.00 26.25           C  
-ATOM   2268  OD1 ASP B  72      70.612  63.659 -15.564  1.00 29.98           O  
-ATOM   2269  OD2 ASP B  72      70.764  61.830 -14.407  1.00 31.50           O  
-ATOM   2270  N   GLN B  73      70.044  66.087 -13.104  1.00 18.38           N  
-ATOM   2271  CA  GLN B  73      71.056  66.686 -12.224  1.00 17.34           C  
-ATOM   2272  C   GLN B  73      70.937  68.195 -12.218  1.00 15.93           C  
-ATOM   2273  O   GLN B  73      70.637  68.786 -13.226  1.00 15.23           O  
-ATOM   2274  CB  GLN B  73      72.470  66.367 -12.722  1.00 17.48           C  
-ATOM   2275  CG  GLN B  73      72.973  65.006 -12.385  1.00 20.52           C  
-ATOM   2276  CD  GLN B  73      74.472  64.823 -12.628  1.00 22.74           C  
-ATOM   2277  OE1 GLN B  73      75.300  65.677 -12.269  1.00 24.13           O  
-ATOM   2278  NE2 GLN B  73      74.822  63.680 -13.227  1.00 20.56           N  
-ATOM   2279  N   VAL B  74      71.211  68.817 -11.085  1.00 14.76           N  
-ATOM   2280  CA  VAL B  74      71.287  70.264 -11.004  1.00 13.98           C  
-ATOM   2281  C   VAL B  74      72.419  70.672 -10.034  1.00 14.32           C  
-ATOM   2282  O   VAL B  74      72.824  69.880  -9.144  1.00 13.64           O  
-ATOM   2283  CB  VAL B  74      69.961  70.911 -10.473  1.00 14.21           C  
-ATOM   2284  CG1 VAL B  74      68.818  70.805 -11.479  1.00 13.16           C  
-ATOM   2285  CG2 VAL B  74      69.575  70.316  -9.109  1.00 12.28           C  
-ATOM   2286  N   SER B  75      72.871  71.914 -10.169  1.00 13.73           N  
-ATOM   2287  CA  SER B  75      73.781  72.527  -9.200  1.00 14.60           C  
-ATOM   2288  C   SER B  75      72.987  73.319  -8.152  1.00 14.87           C  
-ATOM   2289  O   SER B  75      72.126  74.117  -8.482  1.00 15.39           O  
-ATOM   2290  CB  SER B  75      74.745  73.457  -9.925  1.00 14.58           C  
-ATOM   2291  OG  SER B  75      75.468  72.707 -10.872  1.00 14.15           O  
-ATOM   2292  N   VAL B  76      73.280  73.097  -6.887  1.00 15.27           N  
-ATOM   2293  CA  VAL B  76      72.508  73.677  -5.792  1.00 15.22           C  
-ATOM   2294  C   VAL B  76      73.409  74.368  -4.777  1.00 15.66           C  
-ATOM   2295  O   VAL B  76      74.436  73.822  -4.404  1.00 15.09           O  
-ATOM   2296  CB  VAL B  76      71.678  72.612  -5.057  1.00 15.78           C  
-ATOM   2297  CG1 VAL B  76      70.758  73.287  -4.023  1.00 14.09           C  
-ATOM   2298  CG2 VAL B  76      70.846  71.760  -6.051  1.00 14.05           C  
-ATOM   2299  N   PRO B  77      73.074  75.596  -4.368  1.00 16.58           N  
-ATOM   2300  CA  PRO B  77      73.877  76.269  -3.345  1.00 16.71           C  
-ATOM   2301  C   PRO B  77      73.908  75.365  -2.112  1.00 16.52           C  
-ATOM   2302  O   PRO B  77      72.862  74.836  -1.753  1.00 16.53           O  
-ATOM   2303  CB  PRO B  77      73.102  77.556  -3.046  1.00 16.74           C  
-ATOM   2304  CG  PRO B  77      72.200  77.783  -4.174  1.00 17.52           C  
-ATOM   2305  CD  PRO B  77      71.968  76.438  -4.867  1.00 16.42           C  
-ATOM   2306  N   ILE B  78      75.048  75.191  -1.466  1.00 17.08           N  
-ATOM   2307  CA  ILE B  78      75.072  74.334  -0.267  1.00 18.74           C  
-ATOM   2308  C   ILE B  78      74.250  74.870   0.903  1.00 19.69           C  
-ATOM   2309  O   ILE B  78      73.897  74.104   1.782  1.00 19.81           O  
-ATOM   2310  CB  ILE B  78      76.504  74.008   0.205  1.00 19.23           C  
-ATOM   2311  CG1 ILE B  78      77.261  75.270   0.628  1.00 19.99           C  
-ATOM   2312  CG2 ILE B  78      77.266  73.277  -0.872  1.00 18.12           C  
-ATOM   2313  CD1 ILE B  78      78.521  74.927   1.515  1.00 23.14           C  
-ATOM   2314  N   SER B  79      73.951  76.187   0.917  1.00 19.72           N  
-ATOM   2315  CA  SER B  79      73.036  76.763   1.888  1.00 20.50           C  
-ATOM   2316  C   SER B  79      71.608  76.216   1.762  1.00 20.37           C  
-ATOM   2317  O   SER B  79      70.818  76.256   2.708  1.00 20.03           O  
-ATOM   2318  CB  SER B  79      73.064  78.309   1.801  1.00 21.27           C  
-ATOM   2319  OG  SER B  79      72.442  78.771   0.596  1.00 23.90           O  
-ATOM   2320  N   SER B  80      71.266  75.658   0.611  1.00 20.08           N  
-ATOM   2321  CA  SER B  80      69.981  75.000   0.493  1.00 20.41           C  
-ATOM   2322  C   SER B  80      70.029  73.485   0.799  1.00 20.12           C  
-ATOM   2323  O   SER B  80      69.022  72.787   0.668  1.00 20.62           O  
-ATOM   2324  CB  SER B  80      69.413  75.245  -0.904  1.00 20.41           C  
-ATOM   2325  OG  SER B  80      69.083  76.641  -1.003  1.00 24.00           O  
-ATOM   2326  N   LEU B  81      71.192  72.970   1.160  1.00 19.15           N  
-ATOM   2327  CA  LEU B  81      71.328  71.511   1.343  1.00 19.48           C  
-ATOM   2328  C   LEU B  81      71.823  71.200   2.735  1.00 18.19           C  
-ATOM   2329  O   LEU B  81      72.608  71.974   3.272  1.00 17.19           O  
-ATOM   2330  CB  LEU B  81      72.386  70.953   0.369  1.00 19.93           C  
-ATOM   2331  CG  LEU B  81      72.100  70.968  -1.131  1.00 21.25           C  
-ATOM   2332  CD1 LEU B  81      73.161  70.210  -1.827  1.00 21.83           C  
-ATOM   2333  CD2 LEU B  81      70.754  70.391  -1.410  1.00 23.96           C  
-ATOM   2334  N   TRP B  82      71.448  70.042   3.294  1.00 17.57           N  
-ATOM   2335  CA  TRP B  82      72.268  69.512   4.406  1.00 16.85           C  
-ATOM   2336  C   TRP B  82      73.619  69.070   3.875  1.00 17.04           C  
-ATOM   2337  O   TRP B  82      73.691  68.432   2.834  1.00 17.07           O  
-ATOM   2338  CB  TRP B  82      71.616  68.349   5.104  1.00 16.26           C  
-ATOM   2339  CG  TRP B  82      72.490  67.754   6.211  1.00 16.49           C  
-ATOM   2340  CD1 TRP B  82      72.556  68.155   7.506  1.00 15.42           C  
-ATOM   2341  CD2 TRP B  82      73.403  66.660   6.084  1.00 15.42           C  
-ATOM   2342  NE1 TRP B  82      73.441  67.360   8.215  1.00 16.08           N  
-ATOM   2343  CE2 TRP B  82      73.973  66.432   7.362  1.00 16.58           C  
-ATOM   2344  CE3 TRP B  82      73.774  65.812   5.019  1.00 14.95           C  
-ATOM   2345  CZ2 TRP B  82      74.899  65.394   7.611  1.00 15.04           C  
-ATOM   2346  CZ3 TRP B  82      74.696  64.780   5.260  1.00 15.22           C  
-ATOM   2347  CH2 TRP B  82      75.238  64.569   6.551  1.00 15.53           C  
-ATOM   2348  N   VAL B  83      74.674  69.353   4.628  1.00 17.43           N  
-ATOM   2349  CA  VAL B  83      76.052  69.021   4.251  1.00 18.09           C  
-ATOM   2350  C   VAL B  83      76.693  68.441   5.504  1.00 18.26           C  
-ATOM   2351  O   VAL B  83      76.383  68.888   6.632  1.00 17.44           O  
-ATOM   2352  CB  VAL B  83      76.817  70.293   3.733  1.00 18.66           C  
-ATOM   2353  CG1 VAL B  83      78.289  70.141   3.780  1.00 19.97           C  
-ATOM   2354  CG2 VAL B  83      76.389  70.631   2.285  1.00 18.84           C  
-ATOM   2355  N   PRO B  84      77.503  67.395   5.346  1.00 17.91           N  
-ATOM   2356  CA  PRO B  84      78.148  66.788   6.513  1.00 18.22           C  
-ATOM   2357  C   PRO B  84      79.066  67.789   7.192  1.00 17.62           C  
-ATOM   2358  O   PRO B  84      79.729  68.552   6.514  1.00 17.74           O  
-ATOM   2359  CB  PRO B  84      78.945  65.580   5.949  1.00 18.19           C  
-ATOM   2360  CG  PRO B  84      78.646  65.507   4.450  1.00 18.60           C  
-ATOM   2361  CD  PRO B  84      77.819  66.705   4.082  1.00 18.23           C  
-ATOM   2362  N   ASP B  85      79.086  67.782   8.521  1.00 16.94           N  
-ATOM   2363  CA  ASP B  85      79.891  68.706   9.317  1.00 16.89           C  
-ATOM   2364  C   ASP B  85      81.328  68.138   9.464  1.00 16.82           C  
-ATOM   2365  O   ASP B  85      81.812  67.896  10.567  1.00 16.08           O  
-ATOM   2366  CB  ASP B  85      79.226  68.941  10.668  1.00 15.93           C  
-ATOM   2367  CG  ASP B  85      79.168  67.677  11.513  1.00 18.42           C  
-ATOM   2368  OD1 ASP B  85      79.087  66.548  10.904  1.00 17.85           O  
-ATOM   2369  OD2 ASP B  85      79.237  67.699  12.759  1.00 18.90           O  
-ATOM   2370  N   LEU B  86      81.997  67.930   8.341  1.00 15.87           N  
-ATOM   2371  CA  LEU B  86      83.363  67.466   8.362  1.00 16.13           C  
-ATOM   2372  C   LEU B  86      84.393  68.458   8.878  1.00 17.08           C  
-ATOM   2373  O   LEU B  86      84.409  69.685   8.532  1.00 16.65           O  
-ATOM   2374  CB  LEU B  86      83.775  66.982   6.958  1.00 16.27           C  
-ATOM   2375  CG  LEU B  86      82.935  65.808   6.432  1.00 16.66           C  
-ATOM   2376  CD1 LEU B  86      83.498  65.306   5.109  1.00 17.58           C  
-ATOM   2377  CD2 LEU B  86      82.822  64.645   7.429  1.00 15.05           C  
-ATOM   2378  N   ALA B  87      85.332  67.941   9.657  1.00 16.82           N  
-ATOM   2379  CA  ALA B  87      86.446  68.811  10.055  1.00 16.82           C  
-ATOM   2380  C   ALA B  87      87.771  68.075   9.984  1.00 17.04           C  
-ATOM   2381  O   ALA B  87      87.826  66.855  10.235  1.00 16.53           O  
-ATOM   2382  CB  ALA B  87      86.199  69.363  11.448  1.00 16.31           C  
-ATOM   2383  N   ALA B  88      88.853  68.789   9.646  1.00 17.18           N  
-ATOM   2384  CA  ALA B  88      90.188  68.184   9.741  1.00 16.51           C  
-ATOM   2385  C   ALA B  88      90.689  68.422  11.141  1.00 17.33           C  
-ATOM   2386  O   ALA B  88      90.851  69.584  11.554  1.00 16.94           O  
-ATOM   2387  CB  ALA B  88      91.126  68.799   8.737  1.00 17.01           C  
-ATOM   2388  N   TYR B  89      90.937  67.326  11.883  1.00 16.59           N  
-ATOM   2389  CA  TYR B  89      91.287  67.418  13.305  1.00 16.87           C  
-ATOM   2390  C   TYR B  89      92.673  68.055  13.559  1.00 16.71           C  
-ATOM   2391  O   TYR B  89      92.950  68.521  14.667  1.00 16.91           O  
-ATOM   2392  CB  TYR B  89      91.301  66.027  13.947  1.00 16.59           C  
-ATOM   2393  CG  TYR B  89      89.939  65.513  14.318  1.00 17.48           C  
-ATOM   2394  CD1 TYR B  89      88.951  65.347  13.364  1.00 18.36           C  
-ATOM   2395  CD2 TYR B  89      89.647  65.185  15.630  1.00 18.18           C  
-ATOM   2396  CE1 TYR B  89      87.704  64.868  13.698  1.00 21.05           C  
-ATOM   2397  CE2 TYR B  89      88.404  64.705  15.993  1.00 19.22           C  
-ATOM   2398  CZ  TYR B  89      87.430  64.554  15.015  1.00 22.38           C  
-ATOM   2399  OH  TYR B  89      86.156  64.093  15.322  1.00 24.69           O  
-ATOM   2400  N   ASN B  90      93.562  67.974  12.584  1.00 15.17           N  
-ATOM   2401  CA  ASN B  90      94.897  68.558  12.777  1.00 15.57           C  
-ATOM   2402  C   ASN B  90      95.079  69.885  12.027  1.00 14.83           C  
-ATOM   2403  O   ASN B  90      96.201  70.368  11.894  1.00 14.31           O  
-ATOM   2404  CB  ASN B  90      96.048  67.572  12.467  1.00 14.83           C  
-ATOM   2405  CG  ASN B  90      95.946  66.958  11.100  1.00 16.00           C  
-ATOM   2406  OD1 ASN B  90      94.845  66.645  10.617  1.00 16.19           O  
-ATOM   2407  ND2 ASN B  90      97.087  66.765  10.456  1.00 14.13           N  
-ATOM   2408  N   ALA B  91      93.968  70.465  11.583  1.00 14.11           N  
-ATOM   2409  CA  ALA B  91      94.010  71.770  10.888  1.00 14.79           C  
-ATOM   2410  C   ALA B  91      94.376  72.876  11.899  1.00 14.57           C  
-ATOM   2411  O   ALA B  91      93.886  72.890  13.020  1.00 13.47           O  
-ATOM   2412  CB  ALA B  91      92.667  72.104  10.225  1.00 14.54           C  
-ATOM   2413  N   ILE B  92      95.211  73.807  11.469  1.00 14.82           N  
-ATOM   2414  CA  ILE B  92      95.570  74.939  12.317  1.00 15.80           C  
-ATOM   2415  C   ILE B  92      95.142  76.272  11.659  1.00 16.47           C  
-ATOM   2416  O   ILE B  92      95.515  77.362  12.103  1.00 16.07           O  
-ATOM   2417  CB  ILE B  92      97.091  74.872  12.613  1.00 16.40           C  
-ATOM   2418  CG1 ILE B  92      97.896  74.885  11.313  1.00 15.62           C  
-ATOM   2419  CG2 ILE B  92      97.415  73.586  13.484  1.00 15.41           C  
-ATOM   2420  CD1 ILE B  92      99.393  75.145  11.534  1.00 15.63           C  
-ATOM   2421  N   SER B  93      94.383  76.179  10.569  1.00 16.79           N  
-ATOM   2422  CA  SER B  93      93.699  77.353  10.038  1.00 18.37           C  
-ATOM   2423  C   SER B  93      92.296  76.926   9.671  1.00 19.10           C  
-ATOM   2424  O   SER B  93      92.048  75.734   9.486  1.00 19.05           O  
-ATOM   2425  CB  SER B  93      94.452  77.939   8.837  1.00 18.15           C  
-ATOM   2426  OG  SER B  93      94.372  77.069   7.710  1.00 18.34           O  
-ATOM   2427  N   LYS B  94      91.345  77.847   9.575  1.00 21.26           N  
-ATOM   2428  CA  LYS B  94      89.997  77.404   9.156  1.00 22.94           C  
-ATOM   2429  C   LYS B  94      89.985  77.232   7.641  1.00 22.54           C  
-ATOM   2430  O   LYS B  94      90.673  77.966   6.967  1.00 23.25           O  
-ATOM   2431  CB  LYS B  94      88.862  78.340   9.674  1.00 23.40           C  
-ATOM   2432  CG  LYS B  94      88.881  79.779   9.140  1.00 26.14           C  
-ATOM   2433  CD  LYS B  94      88.343  80.783  10.151  1.00 27.37           C  
-ATOM   2434  CE  LYS B  94      86.840  80.668  10.314  1.00 32.50           C  
-ATOM   2435  NZ  LYS B  94      86.305  81.778  11.227  1.00 33.01           N  
-ATOM   2436  N   PRO B  95      89.237  76.257   7.099  1.00 23.53           N  
-ATOM   2437  CA  PRO B  95      89.286  75.979   5.643  1.00 22.75           C  
-ATOM   2438  C   PRO B  95      88.917  77.244   4.803  1.00 23.30           C  
-ATOM   2439  O   PRO B  95      87.921  77.928   5.090  1.00 22.99           O  
-ATOM   2440  CB  PRO B  95      88.260  74.862   5.446  1.00 22.17           C  
-ATOM   2441  CG  PRO B  95      87.389  74.895   6.681  1.00 22.39           C  
-ATOM   2442  CD  PRO B  95      88.257  75.400   7.799  1.00 22.16           C  
-ATOM   2443  N   GLU B  96      89.779  77.566   3.840  1.00 22.32           N  
-ATOM   2444  CA  GLU B  96      89.565  78.642   2.885  1.00 22.66           C  
-ATOM   2445  C   GLU B  96      89.028  77.951   1.616  1.00 21.44           C  
-ATOM   2446  O   GLU B  96      89.742  77.229   0.947  1.00 21.39           O  
-ATOM   2447  CB  GLU B  96      90.914  79.367   2.640  1.00 23.46           C  
-ATOM   2448  CG  GLU B  96      90.882  80.669   1.813  1.00 28.26           C  
-ATOM   2449  CD  GLU B  96      92.270  81.330   1.651  1.00 35.18           C  
-ATOM   2450  OE1 GLU B  96      93.142  81.157   2.549  1.00 38.36           O  
-ATOM   2451  OE2 GLU B  96      92.529  82.047   0.631  1.00 38.93           O  
-ATOM   2452  N   VAL B  97      87.741  78.113   1.348  1.00 20.29           N  
-ATOM   2453  CA  VAL B  97      87.116  77.585   0.147  1.00 19.41           C  
-ATOM   2454  C   VAL B  97      87.402  78.507  -1.066  1.00 19.23           C  
-ATOM   2455  O   VAL B  97      87.056  79.668  -1.062  1.00 18.55           O  
-ATOM   2456  CB  VAL B  97      85.602  77.441   0.352  1.00 19.65           C  
-ATOM   2457  CG1 VAL B  97      84.965  76.863  -0.887  1.00 18.82           C  
-ATOM   2458  CG2 VAL B  97      85.277  76.549   1.581  1.00 18.44           C  
-ATOM   2459  N   LEU B  98      88.054  77.979  -2.081  1.00 18.75           N  
-ATOM   2460  CA  LEU B  98      88.446  78.800  -3.220  1.00 18.70           C  
-ATOM   2461  C   LEU B  98      87.440  78.807  -4.383  1.00 18.45           C  
-ATOM   2462  O   LEU B  98      87.593  79.584  -5.322  1.00 19.04           O  
-ATOM   2463  CB  LEU B  98      89.848  78.379  -3.730  1.00 18.85           C  
-ATOM   2464  CG  LEU B  98      90.938  78.112  -2.693  1.00 19.60           C  
-ATOM   2465  CD1 LEU B  98      92.158  77.525  -3.363  1.00 18.86           C  
-ATOM   2466  CD2 LEU B  98      91.309  79.396  -1.995  1.00 20.06           C  
-ATOM   2467  N   THR B  99      86.420  77.958  -4.318  1.00 17.72           N  
-ATOM   2468  CA  THR B  99      85.529  77.754  -5.437  1.00 17.87           C  
-ATOM   2469  C   THR B  99      84.092  78.101  -5.079  1.00 18.13           C  
-ATOM   2470  O   THR B  99      83.746  78.156  -3.898  1.00 18.16           O  
-ATOM   2471  CB  THR B  99      85.590  76.262  -5.892  1.00 18.00           C  
-ATOM   2472  OG1 THR B  99      85.657  75.426  -4.759  1.00 16.07           O  
-ATOM   2473  CG2 THR B  99      86.878  75.955  -6.644  1.00 16.35           C  
-ATOM   2474  N   PRO B 100      83.248  78.328  -6.092  1.00 18.68           N  
-ATOM   2475  CA  PRO B 100      81.810  78.529  -5.857  1.00 18.17           C  
-ATOM   2476  C   PRO B 100      81.188  77.399  -5.020  1.00 18.61           C  
-ATOM   2477  O   PRO B 100      81.400  76.208  -5.266  1.00 17.87           O  
-ATOM   2478  CB  PRO B 100      81.227  78.539  -7.275  1.00 18.20           C  
-ATOM   2479  CG  PRO B 100      82.369  78.990  -8.142  1.00 18.69           C  
-ATOM   2480  CD  PRO B 100      83.593  78.438  -7.535  1.00 18.03           C  
-ATOM   2481  N   GLN B 101      80.403  77.783  -4.023  1.00 18.58           N  
-ATOM   2482  CA  GLN B 101      79.905  76.821  -3.053  1.00 19.30           C  
-ATOM   2483  C   GLN B 101      78.613  76.169  -3.513  1.00 18.70           C  
-ATOM   2484  O   GLN B 101      77.539  76.376  -2.932  1.00 18.61           O  
-ATOM   2485  CB  GLN B 101      79.829  77.461  -1.673  1.00 19.57           C  
-ATOM   2486  CG  GLN B 101      81.231  77.696  -1.074  1.00 23.42           C  
-ATOM   2487  CD  GLN B 101      81.198  78.453   0.259  1.00 28.81           C  
-ATOM   2488  OE1 GLN B 101      80.520  78.035   1.207  1.00 31.34           O  
-ATOM   2489  NE2 GLN B 101      81.957  79.548   0.336  1.00 29.15           N  
-ATOM   2490  N   LEU B 102      78.751  75.363  -4.571  1.00 17.96           N  
-ATOM   2491  CA  LEU B 102      77.637  74.639  -5.177  1.00 17.30           C  
-ATOM   2492  C   LEU B 102      77.874  73.130  -5.113  1.00 17.04           C  
-ATOM   2493  O   LEU B 102      79.008  72.650  -5.341  1.00 16.22           O  
-ATOM   2494  CB  LEU B 102      77.477  75.065  -6.637  1.00 17.47           C  
-ATOM   2495  CG  LEU B 102      77.295  76.562  -6.984  1.00 20.21           C  
-ATOM   2496  CD1 LEU B 102      77.224  76.773  -8.485  1.00 20.88           C  
-ATOM   2497  CD2 LEU B 102      76.097  77.138  -6.314  1.00 19.96           C  
-ATOM   2498  N   ALA B 103      76.811  72.393  -4.828  1.00 15.84           N  
-ATOM   2499  CA  ALA B 103      76.866  70.960  -4.910  1.00 16.39           C  
-ATOM   2500  C   ALA B 103      76.100  70.483  -6.174  1.00 16.67           C  
-ATOM   2501  O   ALA B 103      75.208  71.137  -6.674  1.00 16.94           O  
-ATOM   2502  CB  ALA B 103      76.283  70.328  -3.655  1.00 15.72           C  
-ATOM   2503  N   ARG B 104      76.431  69.291  -6.621  1.00 16.37           N  
-ATOM   2504  CA  ARG B 104      75.747  68.679  -7.732  1.00 15.97           C  
-ATOM   2505  C   ARG B 104      74.813  67.635  -7.126  1.00 15.78           C  
-ATOM   2506  O   ARG B 104      75.217  66.805  -6.299  1.00 15.56           O  
-ATOM   2507  CB  ARG B 104      76.783  68.103  -8.671  1.00 15.90           C  
-ATOM   2508  CG  ARG B 104      76.287  67.845 -10.053  1.00 18.11           C  
-ATOM   2509  CD  ARG B 104      76.074  69.063 -10.920  1.00 17.64           C  
-ATOM   2510  NE  ARG B 104      75.525  68.568 -12.174  1.00 16.39           N  
-ATOM   2511  CZ  ARG B 104      74.959  69.324 -13.100  1.00 17.38           C  
-ATOM   2512  NH1 ARG B 104      74.857  70.655 -12.954  1.00 13.65           N  
-ATOM   2513  NH2 ARG B 104      74.501  68.742 -14.194  1.00 14.74           N  
-ATOM   2514  N   VAL B 105      73.532  67.740  -7.467  1.00 15.23           N  
-ATOM   2515  CA  VAL B 105      72.518  66.869  -6.917  1.00 14.36           C  
-ATOM   2516  C   VAL B 105      71.844  66.103  -8.051  1.00 14.79           C  
-ATOM   2517  O   VAL B 105      71.298  66.722  -8.975  1.00 14.43           O  
-ATOM   2518  CB  VAL B 105      71.455  67.682  -6.175  1.00 14.64           C  
-ATOM   2519  CG1 VAL B 105      70.333  66.775  -5.602  1.00 14.17           C  
-ATOM   2520  CG2 VAL B 105      72.078  68.557  -5.045  1.00 14.43           C  
-ATOM   2521  N   VAL B 106      71.848  64.770  -7.941  1.00 14.42           N  
-ATOM   2522  CA  VAL B 106      71.246  63.879  -8.906  1.00 14.28           C  
-ATOM   2523  C   VAL B 106      69.818  63.583  -8.497  1.00 14.41           C  
-ATOM   2524  O   VAL B 106      69.484  63.672  -7.330  1.00 14.13           O  
-ATOM   2525  CB  VAL B 106      72.076  62.574  -9.048  1.00 14.85           C  
-ATOM   2526  CG1 VAL B 106      71.525  61.661 -10.176  1.00 13.25           C  
-ATOM   2527  CG2 VAL B 106      73.557  62.911  -9.304  1.00 14.95           C  
-ATOM   2528  N   SER B 107      68.960  63.228  -9.455  1.00 14.52           N  
-ATOM   2529  CA  SER B 107      67.541  63.014  -9.176  1.00 15.22           C  
-ATOM   2530  C   SER B 107      67.215  61.861  -8.196  1.00 15.68           C  
-ATOM   2531  O   SER B 107      66.089  61.771  -7.694  1.00 15.07           O  
-ATOM   2532  CB  SER B 107      66.730  62.817 -10.468  1.00 15.09           C  
-ATOM   2533  OG  SER B 107      67.083  61.630 -11.134  1.00 14.38           O  
-ATOM   2534  N   ASP B 108      68.179  60.987  -7.930  1.00 16.44           N  
-ATOM   2535  CA  ASP B 108      67.947  59.923  -6.944  1.00 17.93           C  
-ATOM   2536  C   ASP B 108      68.363  60.376  -5.533  1.00 17.64           C  
-ATOM   2537  O   ASP B 108      68.258  59.622  -4.581  1.00 17.45           O  
-ATOM   2538  CB  ASP B 108      68.637  58.607  -7.330  1.00 18.07           C  
-ATOM   2539  CG  ASP B 108      70.162  58.741  -7.447  1.00 21.27           C  
-ATOM   2540  OD1 ASP B 108      70.733  59.834  -7.189  1.00 23.20           O  
-ATOM   2541  OD2 ASP B 108      70.883  57.791  -7.815  1.00 24.55           O  
-ATOM   2542  N   GLY B 109      68.851  61.608  -5.414  1.00 17.65           N  
-ATOM   2543  CA  GLY B 109      69.233  62.107  -4.115  1.00 17.50           C  
-ATOM   2544  C   GLY B 109      70.724  62.058  -3.843  1.00 17.61           C  
-ATOM   2545  O   GLY B 109      71.135  62.484  -2.767  1.00 17.62           O  
-ATOM   2546  N   GLU B 110      71.528  61.580  -4.803  1.00 17.62           N  
-ATOM   2547  CA  GLU B 110      73.001  61.551  -4.627  1.00 18.46           C  
-ATOM   2548  C   GLU B 110      73.551  62.951  -4.749  1.00 17.32           C  
-ATOM   2549  O   GLU B 110      73.154  63.712  -5.629  1.00 17.27           O  
-ATOM   2550  CB  GLU B 110      73.721  60.646  -5.657  1.00 18.81           C  
-ATOM   2551  CG  GLU B 110      73.477  59.145  -5.533  1.00 24.20           C  
-ATOM   2552  CD  GLU B 110      73.874  58.584  -4.175  1.00 31.33           C  
-ATOM   2553  OE1 GLU B 110      75.026  58.845  -3.688  1.00 33.50           O  
-ATOM   2554  OE2 GLU B 110      73.001  57.897  -3.589  1.00 34.34           O  
-ATOM   2555  N   VAL B 111      74.463  63.296  -3.864  1.00 16.62           N  
-ATOM   2556  CA  VAL B 111      75.028  64.624  -3.851  1.00 15.63           C  
-ATOM   2557  C   VAL B 111      76.523  64.507  -3.962  1.00 15.92           C  
-ATOM   2558  O   VAL B 111      77.113  63.643  -3.334  1.00 15.21           O  
-ATOM   2559  CB  VAL B 111      74.690  65.409  -2.511  1.00 15.91           C  
-ATOM   2560  CG1 VAL B 111      75.211  66.854  -2.571  1.00 15.14           C  
-ATOM   2561  CG2 VAL B 111      73.204  65.350  -2.165  1.00 13.60           C  
-ATOM   2562  N   LEU B 112      77.131  65.404  -4.745  1.00 16.09           N  
-ATOM   2563  CA  LEU B 112      78.571  65.573  -4.827  1.00 16.34           C  
-ATOM   2564  C   LEU B 112      78.886  67.030  -4.516  1.00 16.45           C  
-ATOM   2565  O   LEU B 112      78.415  67.930  -5.219  1.00 15.50           O  
-ATOM   2566  CB  LEU B 112      79.078  65.238  -6.226  1.00 16.57           C  
-ATOM   2567  CG  LEU B 112      80.551  65.550  -6.564  1.00 18.63           C  
-ATOM   2568  CD1 LEU B 112      81.550  64.790  -5.707  1.00 16.38           C  
-ATOM   2569  CD2 LEU B 112      80.814  65.233  -8.043  1.00 19.85           C  
-ATOM   2570  N   TYR B 113      79.669  67.239  -3.470  1.00 16.40           N  
-ATOM   2571  CA  TYR B 113      80.174  68.560  -3.121  1.00 17.31           C  
-ATOM   2572  C   TYR B 113      81.689  68.437  -3.147  1.00 17.16           C  
-ATOM   2573  O   TYR B 113      82.237  67.619  -2.418  1.00 17.47           O  
-ATOM   2574  CB  TYR B 113      79.664  69.015  -1.750  1.00 17.28           C  
-ATOM   2575  CG  TYR B 113      80.169  70.389  -1.364  1.00 18.98           C  
-ATOM   2576  CD1 TYR B 113      80.190  71.434  -2.295  1.00 19.90           C  
-ATOM   2577  CD2 TYR B 113      80.658  70.634  -0.101  1.00 20.29           C  
-ATOM   2578  CE1 TYR B 113      80.678  72.698  -1.962  1.00 21.71           C  
-ATOM   2579  CE2 TYR B 113      81.116  71.920   0.266  1.00 19.88           C  
-ATOM   2580  CZ  TYR B 113      81.136  72.934  -0.678  1.00 22.69           C  
-ATOM   2581  OH  TYR B 113      81.627  74.210  -0.331  1.00 26.65           O  
-ATOM   2582  N   MET B 114      82.351  69.177  -4.035  1.00 16.65           N  
-ATOM   2583  CA  MET B 114      83.791  69.079  -4.224  1.00 16.95           C  
-ATOM   2584  C   MET B 114      84.498  70.453  -4.221  1.00 16.76           C  
-ATOM   2585  O   MET B 114      85.000  70.891  -5.263  1.00 16.23           O  
-ATOM   2586  CB  MET B 114      84.105  68.302  -5.522  1.00 17.82           C  
-ATOM   2587  CG  MET B 114      85.618  67.918  -5.676  1.00 20.29           C  
-ATOM   2588  SD  MET B 114      85.974  66.579  -6.955  1.00 27.05           S  
-ATOM   2589  CE  MET B 114      84.389  66.269  -7.400  1.00 26.64           C  
-ATOM   2590  N   PRO B 115      84.553  71.130  -3.071  1.00 16.23           N  
-ATOM   2591  CA  PRO B 115      85.209  72.457  -3.004  1.00 16.48           C  
-ATOM   2592  C   PRO B 115      86.744  72.334  -3.126  1.00 16.61           C  
-ATOM   2593  O   PRO B 115      87.295  71.338  -2.675  1.00 16.48           O  
-ATOM   2594  CB  PRO B 115      84.858  72.962  -1.603  1.00 16.27           C  
-ATOM   2595  CG  PRO B 115      84.635  71.670  -0.747  1.00 15.73           C  
-ATOM   2596  CD  PRO B 115      84.028  70.704  -1.761  1.00 16.53           C  
-ATOM   2597  N   SER B 116      87.395  73.314  -3.736  1.00 16.21           N  
-ATOM   2598  CA  SER B 116      88.832  73.482  -3.567  1.00 16.71           C  
-ATOM   2599  C   SER B 116      89.116  74.238  -2.259  1.00 16.54           C  
-ATOM   2600  O   SER B 116      88.585  75.334  -2.042  1.00 16.93           O  
-ATOM   2601  CB  SER B 116      89.420  74.251  -4.745  1.00 16.82           C  
-ATOM   2602  OG  SER B 116      90.855  74.244  -4.638  1.00 18.90           O  
-ATOM   2603  N   ILE B 117      89.975  73.673  -1.420  1.00 16.94           N  
-ATOM   2604  CA  ILE B 117      90.222  74.158  -0.082  1.00 17.38           C  
-ATOM   2605  C   ILE B 117      91.716  74.426   0.092  1.00 17.68           C  
-ATOM   2606  O   ILE B 117      92.584  73.593  -0.327  1.00 17.56           O  
-ATOM   2607  CB  ILE B 117      89.714  73.129   0.950  1.00 17.88           C  
-ATOM   2608  CG1 ILE B 117      88.170  73.089   0.890  1.00 19.61           C  
-ATOM   2609  CG2 ILE B 117      90.211  73.481   2.340  1.00 17.23           C  
-ATOM   2610  CD1 ILE B 117      87.525  72.399   1.982  1.00 20.45           C  
-ATOM   2611  N   ARG B 118      92.015  75.587   0.651  1.00 16.88           N  
-ATOM   2612  CA  ARG B 118      93.360  75.881   1.099  1.00 17.58           C  
-ATOM   2613  C   ARG B 118      93.332  75.846   2.630  1.00 17.19           C  
-ATOM   2614  O   ARG B 118      92.463  76.423   3.260  1.00 16.98           O  
-ATOM   2615  CB  ARG B 118      93.881  77.237   0.552  1.00 17.57           C  
-ATOM   2616  CG  ARG B 118      95.304  77.502   0.993  1.00 19.45           C  
-ATOM   2617  CD  ARG B 118      95.864  78.872   0.624  1.00 23.00           C  
-ATOM   2618  NE  ARG B 118      97.278  78.982   1.021  1.00 26.75           N  
-ATOM   2619  CZ  ARG B 118      98.212  79.679   0.362  1.00 28.20           C  
-ATOM   2620  NH1 ARG B 118      97.901  80.375  -0.741  1.00 28.31           N  
-ATOM   2621  NH2 ARG B 118      99.455  79.720   0.815  1.00 28.00           N  
-ATOM   2622  N   GLN B 119      94.218  75.081   3.235  1.00 16.83           N  
-ATOM   2623  CA  GLN B 119      94.194  74.980   4.679  1.00 16.01           C  
-ATOM   2624  C   GLN B 119      95.585  74.677   5.168  1.00 15.86           C  
-ATOM   2625  O   GLN B 119      96.410  74.164   4.418  1.00 16.26           O  
-ATOM   2626  CB  GLN B 119      93.174  73.899   5.092  1.00 16.64           C  
-ATOM   2627  CG  GLN B 119      92.787  73.928   6.560  1.00 16.94           C  
-ATOM   2628  CD  GLN B 119      91.519  73.128   6.858  1.00 18.16           C  
-ATOM   2629  OE1 GLN B 119      91.173  72.136   6.159  1.00 20.12           O  
-ATOM   2630  NE2 GLN B 119      90.808  73.554   7.891  1.00 17.94           N  
-ATOM   2631  N   ARG B 120      95.853  74.990   6.424  1.00 14.85           N  
-ATOM   2632  CA  ARG B 120      97.165  74.718   6.994  1.00 15.43           C  
-ATOM   2633  C   ARG B 120      97.063  73.555   8.041  1.00 14.90           C  
-ATOM   2634  O   ARG B 120      96.065  73.398   8.701  1.00 13.66           O  
-ATOM   2635  CB  ARG B 120      97.782  76.029   7.556  1.00 16.10           C  
-ATOM   2636  CG  ARG B 120      98.196  77.049   6.456  1.00 18.62           C  
-ATOM   2637  CD  ARG B 120      98.689  78.461   6.945  1.00 22.33           C  
-ATOM   2638  NE  ARG B 120      97.551  79.383   7.148  1.00 25.76           N  
-ATOM   2639  CZ  ARG B 120      97.321  80.090   8.260  1.00 29.18           C  
-ATOM   2640  NH1 ARG B 120      98.160  80.016   9.292  1.00 28.87           N  
-ATOM   2641  NH2 ARG B 120      96.237  80.868   8.348  1.00 31.20           N  
-ATOM   2642  N   PHE B 121      98.075  72.717   8.151  1.00 14.75           N  
-ATOM   2643  CA  PHE B 121      97.940  71.545   9.005  1.00 15.70           C  
-ATOM   2644  C   PHE B 121      99.208  71.418   9.837  1.00 16.47           C  
-ATOM   2645  O   PHE B 121     100.264  71.908   9.415  1.00 16.83           O  
-ATOM   2646  CB  PHE B 121      97.710  70.255   8.205  1.00 14.35           C  
-ATOM   2647  CG  PHE B 121      96.482  70.286   7.296  1.00 15.87           C  
-ATOM   2648  CD1 PHE B 121      95.213  69.924   7.783  1.00 12.65           C  
-ATOM   2649  CD2 PHE B 121      96.606  70.608   5.937  1.00 11.48           C  
-ATOM   2650  CE1 PHE B 121      94.069  69.979   6.945  1.00 12.82           C  
-ATOM   2651  CE2 PHE B 121      95.461  70.642   5.080  1.00 12.79           C  
-ATOM   2652  CZ  PHE B 121      94.192  70.348   5.580  1.00 10.13           C  
-ATOM   2653  N   SER B 122      99.063  70.797  11.015  1.00 15.52           N  
-ATOM   2654  CA  SER B 122     100.134  70.363  11.857  1.00 16.15           C  
-ATOM   2655  C   SER B 122     100.302  68.867  11.555  1.00 16.84           C  
-ATOM   2656  O   SER B 122      99.349  68.090  11.724  1.00 16.30           O  
-ATOM   2657  CB  SER B 122      99.745  70.533  13.330  1.00 15.75           C  
-ATOM   2658  OG  SER B 122     100.646  69.829  14.184  1.00 15.98           O  
-ATOM   2659  N   CYS B 123     101.490  68.482  11.097  1.00 17.36           N  
-ATOM   2660  CA  CYS B 123     101.787  67.080  10.825  1.00 19.62           C  
-ATOM   2661  C   CYS B 123     103.280  66.866  10.662  1.00 19.44           C  
-ATOM   2662  O   CYS B 123     104.062  67.806  10.773  1.00 19.03           O  
-ATOM   2663  CB  CYS B 123     101.040  66.606   9.576  1.00 20.58           C  
-ATOM   2664  SG  CYS B 123     101.410  67.560   8.111  1.00 25.97           S  
-ATOM   2665  N   ASP B 124     103.655  65.609  10.410  1.00 19.69           N  
-ATOM   2666  CA  ASP B 124     105.049  65.188  10.335  1.00 19.38           C  
-ATOM   2667  C   ASP B 124     105.683  65.606   9.009  1.00 18.99           C  
-ATOM   2668  O   ASP B 124     105.464  64.993   7.976  1.00 18.72           O  
-ATOM   2669  CB  ASP B 124     105.153  63.669  10.538  1.00 19.27           C  
-ATOM   2670  CG  ASP B 124     106.545  63.221  10.912  1.00 20.18           C  
-ATOM   2671  OD1 ASP B 124     107.471  64.070  11.002  1.00 19.67           O  
-ATOM   2672  OD2 ASP B 124     106.806  62.020  11.153  1.00 21.38           O  
-ATOM   2673  N   VAL B 125     106.474  66.667   9.070  1.00 18.92           N  
-ATOM   2674  CA  VAL B 125     107.195  67.190   7.918  1.00 18.73           C  
-ATOM   2675  C   VAL B 125     108.631  66.660   7.828  1.00 18.34           C  
-ATOM   2676  O   VAL B 125     109.318  66.940   6.867  1.00 17.94           O  
-ATOM   2677  CB  VAL B 125     107.133  68.770   7.892  1.00 19.00           C  
-ATOM   2678  CG1 VAL B 125     107.883  69.364   6.705  1.00 18.93           C  
-ATOM   2679  CG2 VAL B 125     105.708  69.220   7.832  1.00 18.31           C  
-ATOM   2680  N   SER B 126     109.071  65.879   8.816  1.00 18.28           N  
-ATOM   2681  CA  SER B 126     110.439  65.332   8.791  1.00 18.23           C  
-ATOM   2682  C   SER B 126     110.654  64.440   7.580  1.00 17.83           C  
-ATOM   2683  O   SER B 126     109.763  63.695   7.183  1.00 17.31           O  
-ATOM   2684  CB  SER B 126     110.754  64.559  10.083  1.00 18.27           C  
-ATOM   2685  OG  SER B 126     109.934  63.416  10.188  1.00 18.50           O  
-ATOM   2686  N   GLY B 127     111.829  64.583   6.975  1.00 17.85           N  
-ATOM   2687  CA  GLY B 127     112.223  63.835   5.796  1.00 17.38           C  
-ATOM   2688  C   GLY B 127     111.743  64.404   4.484  1.00 17.01           C  
-ATOM   2689  O   GLY B 127     111.957  63.792   3.450  1.00 16.79           O  
-ATOM   2690  N   VAL B 128     111.102  65.569   4.524  1.00 16.73           N  
-ATOM   2691  CA  VAL B 128     110.532  66.179   3.318  1.00 16.87           C  
-ATOM   2692  C   VAL B 128     111.598  66.459   2.259  1.00 16.65           C  
-ATOM   2693  O   VAL B 128     111.321  66.440   1.069  1.00 16.43           O  
-ATOM   2694  CB  VAL B 128     109.768  67.499   3.605  1.00 16.68           C  
-ATOM   2695  CG1 VAL B 128     110.714  68.634   4.028  1.00 16.56           C  
-ATOM   2696  CG2 VAL B 128     108.956  67.902   2.383  1.00 16.88           C  
-ATOM   2697  N   ASP B 129     112.802  66.749   2.731  1.00 15.51           N  
-ATOM   2698  CA  ASP B 129     113.883  66.990   1.816  1.00 15.28           C  
-ATOM   2699  C   ASP B 129     114.777  65.763   1.683  1.00 15.26           C  
-ATOM   2700  O   ASP B 129     115.961  65.900   1.516  1.00 15.39           O  
-ATOM   2701  CB  ASP B 129     114.666  68.240   2.220  1.00 15.03           C  
-ATOM   2702  CG  ASP B 129     115.147  69.049   0.996  1.00 16.34           C  
-ATOM   2703  OD1 ASP B 129     114.961  68.609  -0.160  1.00 15.49           O  
-ATOM   2704  OD2 ASP B 129     115.763  70.123   1.088  1.00 17.37           O  
-ATOM   2705  N   THR B 130     114.205  64.564   1.769  1.00 15.54           N  
-ATOM   2706  CA  THR B 130     114.968  63.311   1.553  1.00 15.29           C  
-ATOM   2707  C   THR B 130     114.353  62.497   0.397  1.00 15.30           C  
-ATOM   2708  O   THR B 130     113.274  62.840  -0.070  1.00 15.00           O  
-ATOM   2709  CB  THR B 130     115.015  62.467   2.850  1.00 14.73           C  
-ATOM   2710  OG1 THR B 130     113.673  62.085   3.241  1.00 15.68           O  
-ATOM   2711  CG2 THR B 130     115.528  63.295   4.018  1.00 13.49           C  
-ATOM   2712  N   GLU B 131     115.019  61.434  -0.069  1.00 15.56           N  
-ATOM   2713  CA  GLU B 131     114.426  60.562  -1.096  1.00 16.48           C  
-ATOM   2714  C   GLU B 131     113.097  59.843  -0.701  1.00 16.06           C  
-ATOM   2715  O   GLU B 131     112.221  59.651  -1.547  1.00 14.85           O  
-ATOM   2716  CB  GLU B 131     115.429  59.547  -1.673  1.00 17.15           C  
-ATOM   2717  CG  GLU B 131     116.883  60.008  -1.922  1.00 21.63           C  
-ATOM   2718  CD  GLU B 131     117.043  61.208  -2.864  1.00 25.54           C  
-ATOM   2719  OE1 GLU B 131     116.535  61.178  -4.030  1.00 23.63           O  
-ATOM   2720  OE2 GLU B 131     117.720  62.180  -2.434  1.00 27.24           O  
-ATOM   2721  N   SER B 132     112.945  59.409   0.548  1.00 17.59           N  
-ATOM   2722  CA  SER B 132     111.703  58.717   0.948  1.00 18.66           C  
-ATOM   2723  C   SER B 132     110.617  59.691   1.328  1.00 18.49           C  
-ATOM   2724  O   SER B 132     109.467  59.317   1.475  1.00 18.85           O  
-ATOM   2725  CB  SER B 132     111.926  57.681   2.060  1.00 19.27           C  
-ATOM   2726  OG  SER B 132     112.691  58.207   3.117  1.00 20.95           O  
-ATOM   2727  N   GLY B 133     110.994  60.958   1.482  1.00 18.54           N  
-ATOM   2728  CA  GLY B 133     110.032  62.023   1.701  1.00 17.90           C  
-ATOM   2729  C   GLY B 133     109.387  62.097   3.080  1.00 18.03           C  
-ATOM   2730  O   GLY B 133     109.635  61.289   3.985  1.00 16.96           O  
-ATOM   2731  N   ALA B 134     108.534  63.090   3.249  1.00 17.86           N  
-ATOM   2732  CA  ALA B 134     107.776  63.195   4.485  1.00 18.57           C  
-ATOM   2733  C   ALA B 134     106.428  62.488   4.307  1.00 19.19           C  
-ATOM   2734  O   ALA B 134     105.994  62.271   3.181  1.00 18.76           O  
-ATOM   2735  CB  ALA B 134     107.574  64.664   4.869  1.00 18.33           C  
-ATOM   2736  N   THR B 135     105.787  62.132   5.419  1.00 19.50           N  
-ATOM   2737  CA  THR B 135     104.427  61.623   5.365  1.00 20.60           C  
-ATOM   2738  C   THR B 135     103.558  62.439   6.335  1.00 21.36           C  
-ATOM   2739  O   THR B 135     103.697  62.309   7.560  1.00 21.33           O  
-ATOM   2740  CB  THR B 135     104.366  60.092   5.672  1.00 20.87           C  
-ATOM   2741  OG1 THR B 135     105.165  59.365   4.718  1.00 20.93           O  
-ATOM   2742  CG2 THR B 135     102.956  59.547   5.429  1.00 20.30           C  
-ATOM   2743  N   CYS B 136     102.701  63.285   5.754  1.00 21.43           N  
-ATOM   2744  CA  CYS B 136     101.786  64.142   6.475  1.00 22.61           C  
-ATOM   2745  C   CYS B 136     100.421  63.482   6.509  1.00 22.31           C  
-ATOM   2746  O   CYS B 136      99.843  63.126   5.446  1.00 22.35           O  
-ATOM   2747  CB  CYS B 136     101.685  65.507   5.782  1.00 22.77           C  
-ATOM   2748  SG  CYS B 136     100.456  66.625   6.507  1.00 29.02           S  
-ATOM   2749  N   ARG B 137      99.903  63.313   7.722  1.00 21.70           N  
-ATOM   2750  CA  ARG B 137      98.621  62.662   7.914  1.00 21.38           C  
-ATOM   2751  C   ARG B 137      97.538  63.674   8.210  1.00 20.50           C  
-ATOM   2752  O   ARG B 137      97.682  64.465   9.170  1.00 19.91           O  
-ATOM   2753  CB  ARG B 137      98.697  61.713   9.074  1.00 21.75           C  
-ATOM   2754  CG  ARG B 137      98.016  60.402   8.842  1.00 25.23           C  
-ATOM   2755  CD  ARG B 137      98.172  59.399   9.981  1.00 30.04           C  
-ATOM   2756  NE  ARG B 137      99.452  59.507  10.692  1.00 33.04           N  
-ATOM   2757  CZ  ARG B 137     100.570  58.858  10.339  1.00 35.55           C  
-ATOM   2758  NH1 ARG B 137     100.578  58.057   9.261  1.00 35.30           N  
-ATOM   2759  NH2 ARG B 137     101.688  58.994  11.072  1.00 35.85           N  
-ATOM   2760  N   ILE B 138      96.461  63.626   7.413  1.00 18.74           N  
-ATOM   2761  CA  ILE B 138      95.329  64.488   7.636  1.00 18.56           C  
-ATOM   2762  C   ILE B 138      94.106  63.697   8.064  1.00 18.20           C  
-ATOM   2763  O   ILE B 138      93.670  62.777   7.350  1.00 17.58           O  
-ATOM   2764  CB  ILE B 138      95.025  65.323   6.372  1.00 18.25           C  
-ATOM   2765  CG1 ILE B 138      96.173  66.312   6.096  1.00 18.23           C  
-ATOM   2766  CG2 ILE B 138      93.708  66.005   6.553  1.00 17.90           C  
-ATOM   2767  CD1 ILE B 138      96.103  66.994   4.657  1.00 19.36           C  
-ATOM   2768  N   LYS B 139      93.542  64.067   9.221  1.00 17.46           N  
-ATOM   2769  CA  LYS B 139      92.447  63.302   9.814  1.00 16.85           C  
-ATOM   2770  C   LYS B 139      91.122  64.051   9.665  1.00 16.73           C  
-ATOM   2771  O   LYS B 139      90.953  65.179  10.182  1.00 16.81           O  
-ATOM   2772  CB  LYS B 139      92.777  63.012  11.288  1.00 16.79           C  
-ATOM   2773  CG  LYS B 139      91.636  62.461  12.107  1.00 17.02           C  
-ATOM   2774  CD  LYS B 139      92.046  62.269  13.609  1.00 18.53           C  
-ATOM   2775  CE  LYS B 139      90.796  62.011  14.502  1.00 19.06           C  
-ATOM   2776  NZ  LYS B 139      91.141  61.890  15.949  1.00 21.02           N  
-ATOM   2777  N   ILE B 140      90.187  63.458   8.939  1.00 16.17           N  
-ATOM   2778  CA  ILE B 140      88.904  64.132   8.684  1.00 16.24           C  
-ATOM   2779  C   ILE B 140      87.731  63.323   9.151  1.00 16.14           C  
-ATOM   2780  O   ILE B 140      87.667  62.090   8.840  1.00 15.63           O  
-ATOM   2781  CB  ILE B 140      88.759  64.478   7.192  1.00 17.22           C  
-ATOM   2782  CG1 ILE B 140      89.806  65.512   6.826  1.00 18.88           C  
-ATOM   2783  CG2 ILE B 140      87.374  65.078   6.909  1.00 16.68           C  
-ATOM   2784  CD1 ILE B 140      89.976  65.639   5.380  1.00 23.60           C  
-ATOM   2785  N   GLY B 141      86.812  63.977   9.882  1.00 14.30           N  
-ATOM   2786  CA  GLY B 141      85.627  63.287  10.356  1.00 14.35           C  
-ATOM   2787  C   GLY B 141      84.499  64.222  10.726  1.00 14.47           C  
-ATOM   2788  O   GLY B 141      84.677  65.475  10.679  1.00 13.83           O  
-ATOM   2789  N   SER B 142      83.337  63.642  11.059  1.00 13.22           N  
-ATOM   2790  CA  SER B 142      82.226  64.505  11.422  1.00 13.46           C  
-ATOM   2791  C   SER B 142      82.598  65.043  12.789  1.00 13.08           C  
-ATOM   2792  O   SER B 142      83.023  64.281  13.643  1.00 12.55           O  
-ATOM   2793  CB  SER B 142      80.906  63.759  11.509  1.00 13.46           C  
-ATOM   2794  OG  SER B 142      79.954  64.530  12.253  1.00 13.44           O  
-ATOM   2795  N   TRP B 143      82.484  66.349  12.946  1.00 12.08           N  
-ATOM   2796  CA  TRP B 143      82.720  67.019  14.221  1.00 11.68           C  
-ATOM   2797  C   TRP B 143      81.741  66.688  15.320  1.00 11.41           C  
-ATOM   2798  O   TRP B 143      82.169  66.533  16.464  1.00 11.78           O  
-ATOM   2799  CB  TRP B 143      82.745  68.539  14.035  1.00 11.36           C  
-ATOM   2800  CG  TRP B 143      83.399  69.215  15.202  1.00 11.32           C  
-ATOM   2801  CD1 TRP B 143      82.805  70.062  16.112  1.00 12.16           C  
-ATOM   2802  CD2 TRP B 143      84.751  69.049  15.640  1.00 11.25           C  
-ATOM   2803  NE1 TRP B 143      83.721  70.444  17.063  1.00 11.09           N  
-ATOM   2804  CE2 TRP B 143      84.930  69.857  16.781  1.00 10.64           C  
-ATOM   2805  CE3 TRP B 143      85.859  68.343  15.144  1.00 11.43           C  
-ATOM   2806  CZ2 TRP B 143      86.153  69.928  17.469  1.00 12.73           C  
-ATOM   2807  CZ3 TRP B 143      87.072  68.443  15.807  1.00 11.82           C  
-ATOM   2808  CH2 TRP B 143      87.208  69.226  16.964  1.00 12.62           C  
-ATOM   2809  N   THR B 144      80.438  66.573  15.004  1.00 11.12           N  
-ATOM   2810  CA  THR B 144      79.428  66.286  16.031  1.00 10.51           C  
-ATOM   2811  C   THR B 144      78.552  65.036  15.852  1.00 10.42           C  
-ATOM   2812  O   THR B 144      77.638  64.845  16.627  1.00  9.73           O  
-ATOM   2813  CB  THR B 144      78.476  67.496  16.196  1.00 10.75           C  
-ATOM   2814  OG1 THR B 144      77.565  67.472  15.092  1.00  9.46           O  
-ATOM   2815  CG2 THR B 144      79.271  68.887  16.089  1.00 10.85           C  
-ATOM   2816  N   HIS B 145      78.765  64.229  14.812  1.00 10.46           N  
-ATOM   2817  CA  HIS B 145      77.860  63.099  14.559  1.00 10.50           C  
-ATOM   2818  C   HIS B 145      78.639  61.801  14.720  1.00 10.65           C  
-ATOM   2819  O   HIS B 145      79.594  61.534  13.974  1.00 10.51           O  
-ATOM   2820  CB  HIS B 145      77.234  63.115  13.181  1.00 10.07           C  
-ATOM   2821  CG  HIS B 145      76.166  64.136  13.018  1.00 10.35           C  
-ATOM   2822  ND1 HIS B 145      76.319  65.267  12.303  1.00  9.16           N  
-ATOM   2823  CD2 HIS B 145      74.906  64.178  13.426  1.00  7.62           C  
-ATOM   2824  CE1 HIS B 145      75.210  65.983  12.301  1.00 10.23           C  
-ATOM   2825  NE2 HIS B 145      74.334  65.341  12.981  1.00 10.30           N  
-ATOM   2826  N   HIS B 146      78.219  61.005  15.678  1.00 10.02           N  
-ATOM   2827  CA  HIS B 146      78.913  59.776  15.969  1.00 10.57           C  
-ATOM   2828  C   HIS B 146      78.623  58.652  14.943  1.00 10.73           C  
-ATOM   2829  O   HIS B 146      77.863  58.838  13.996  1.00  9.80           O  
-ATOM   2830  CB  HIS B 146      78.626  59.338  17.408  1.00 10.01           C  
-ATOM   2831  CG  HIS B 146      77.172  59.162  17.695  1.00 11.29           C  
-ATOM   2832  ND1 HIS B 146      76.369  58.288  17.022  1.00 12.47           N  
-ATOM   2833  CD2 HIS B 146      76.363  59.761  18.579  1.00 11.83           C  
-ATOM   2834  CE1 HIS B 146      75.132  58.349  17.480  1.00 12.58           C  
-ATOM   2835  NE2 HIS B 146      75.105  59.225  18.445  1.00 11.96           N  
-ATOM   2836  N   SER B 147      79.178  57.450  15.205  1.00 11.15           N  
-ATOM   2837  CA  SER B 147      79.175  56.378  14.186  1.00 11.31           C  
-ATOM   2838  C   SER B 147      77.772  55.934  13.777  1.00 10.97           C  
-ATOM   2839  O   SER B 147      77.592  55.482  12.708  1.00 11.92           O  
-ATOM   2840  CB  SER B 147      80.074  55.209  14.582  1.00 11.05           C  
-ATOM   2841  OG  SER B 147      79.550  54.486  15.698  1.00 11.00           O  
-ATOM   2842  N   ARG B 148      76.766  56.137  14.596  1.00 11.60           N  
-ATOM   2843  CA  ARG B 148      75.409  55.726  14.205  1.00 12.07           C  
-ATOM   2844  C   ARG B 148      74.670  56.783  13.356  1.00 12.09           C  
-ATOM   2845  O   ARG B 148      73.590  56.528  12.828  1.00 11.99           O  
-ATOM   2846  CB  ARG B 148      74.583  55.321  15.426  1.00 12.32           C  
-ATOM   2847  CG  ARG B 148      75.208  54.197  16.196  1.00 14.12           C  
-ATOM   2848  CD  ARG B 148      74.373  53.785  17.368  1.00 19.25           C  
-ATOM   2849  NE  ARG B 148      74.236  54.850  18.360  1.00 21.07           N  
-ATOM   2850  CZ  ARG B 148      73.087  55.392  18.701  1.00 23.77           C  
-ATOM   2851  NH1 ARG B 148      71.954  54.989  18.148  1.00 22.41           N  
-ATOM   2852  NH2 ARG B 148      73.062  56.336  19.623  1.00 23.59           N  
-ATOM   2853  N   GLU B 149      75.289  57.940  13.192  1.00 11.64           N  
-ATOM   2854  CA  GLU B 149      74.663  59.043  12.481  1.00 12.00           C  
-ATOM   2855  C   GLU B 149      75.400  59.335  11.184  1.00 11.68           C  
-ATOM   2856  O   GLU B 149      74.769  59.509  10.153  1.00 11.29           O  
-ATOM   2857  CB  GLU B 149      74.559  60.272  13.392  1.00 11.76           C  
-ATOM   2858  CG  GLU B 149      73.531  60.102  14.501  1.00 13.18           C  
-ATOM   2859  CD  GLU B 149      73.429  61.323  15.422  1.00 16.48           C  
-ATOM   2860  OE1 GLU B 149      73.935  62.404  15.088  1.00 17.30           O  
-ATOM   2861  OE2 GLU B 149      72.820  61.230  16.481  1.00 16.99           O  
-ATOM   2862  N   ILE B 150      76.728  59.358  11.247  1.00 11.79           N  
-ATOM   2863  CA  ILE B 150      77.583  59.448  10.084  1.00 12.81           C  
-ATOM   2864  C   ILE B 150      78.703  58.371  10.076  1.00 14.13           C  
-ATOM   2865  O   ILE B 150      79.423  58.194  11.049  1.00 13.97           O  
-ATOM   2866  CB  ILE B 150      78.172  60.875   9.983  1.00 12.62           C  
-ATOM   2867  CG1 ILE B 150      77.071  61.891   9.621  1.00 11.88           C  
-ATOM   2868  CG2 ILE B 150      79.298  60.946   8.983  1.00 11.68           C  
-ATOM   2869  CD1 ILE B 150      77.624  63.420   9.438  1.00 10.83           C  
-ATOM   2870  N   SER B 151      78.824  57.648   8.975  1.00 15.33           N  
-ATOM   2871  CA  SER B 151      80.028  56.895   8.688  1.00 17.22           C  
-ATOM   2872  C   SER B 151      80.848  57.561   7.590  1.00 18.57           C  
-ATOM   2873  O   SER B 151      80.299  58.089   6.620  1.00 18.43           O  
-ATOM   2874  CB  SER B 151      79.719  55.433   8.373  1.00 17.51           C  
-ATOM   2875  OG  SER B 151      79.009  55.282   7.185  1.00 19.11           O  
-ATOM   2876  N   VAL B 152      82.164  57.580   7.768  1.00 20.04           N  
-ATOM   2877  CA  VAL B 152      83.033  58.123   6.745  1.00 22.38           C  
-ATOM   2878  C   VAL B 152      83.882  57.036   6.145  1.00 23.80           C  
-ATOM   2879  O   VAL B 152      84.516  56.252   6.864  1.00 24.07           O  
-ATOM   2880  CB  VAL B 152      83.904  59.305   7.210  1.00 22.53           C  
-ATOM   2881  CG1 VAL B 152      83.054  60.518   7.393  1.00 22.74           C  
-ATOM   2882  CG2 VAL B 152      84.610  58.975   8.494  1.00 23.25           C  
-ATOM   2883  N   ASP B 153      83.858  56.974   4.821  1.00 23.95           N  
-ATOM   2884  CA  ASP B 153      84.704  56.047   4.074  1.00 26.63           C  
-ATOM   2885  C   ASP B 153      85.460  56.801   2.984  1.00 28.08           C  
-ATOM   2886  O   ASP B 153      84.994  57.846   2.523  1.00 27.27           O  
-ATOM   2887  CB  ASP B 153      83.875  54.900   3.456  1.00 25.09           C  
-ATOM   2888  CG  ASP B 153      83.549  53.806   4.467  1.00 26.53           C  
-ATOM   2889  OD1 ASP B 153      82.761  54.092   5.399  1.00 25.55           O  
-ATOM   2890  OD2 ASP B 153      84.039  52.636   4.420  1.00 26.28           O  
-ATOM   2891  N   PRO B 154      86.625  56.283   2.576  1.00 30.22           N  
-ATOM   2892  CA  PRO B 154      87.277  56.820   1.384  1.00 31.96           C  
-ATOM   2893  C   PRO B 154      86.428  56.417   0.173  1.00 34.04           C  
-ATOM   2894  O   PRO B 154      85.841  55.323   0.194  1.00 34.03           O  
-ATOM   2895  CB  PRO B 154      88.651  56.133   1.391  1.00 31.84           C  
-ATOM   2896  CG  PRO B 154      88.450  54.853   2.177  1.00 31.50           C  
-ATOM   2897  CD  PRO B 154      87.413  55.199   3.207  1.00 29.90           C  
-ATOM   2898  N   THR B 155      86.311  57.299  -0.817  1.00 36.45           N  
-ATOM   2899  CA  THR B 155      85.672  56.958  -2.097  1.00 39.64           C  
-ATOM   2900  C   THR B 155      86.217  55.630  -2.590  1.00 41.12           C  
-ATOM   2901  O   THR B 155      87.436  55.407  -2.600  1.00 41.39           O  
-ATOM   2902  CB  THR B 155      85.923  58.048  -3.160  1.00 39.81           C  
-ATOM   2903  OG1 THR B 155      85.967  59.335  -2.534  1.00 41.16           O  
-ATOM   2904  CG2 THR B 155      84.729  58.149  -4.148  1.00 40.99           C  
-ATOM   2905  N   THR B 156      85.304  54.753  -2.991  1.00 43.72           N  
-ATOM   2906  CA  THR B 156      85.599  53.325  -3.218  1.00 45.69           C  
-ATOM   2907  C   THR B 156      86.501  53.032  -4.441  1.00 46.66           C  
-ATOM   2908  O   THR B 156      87.065  51.928  -4.562  1.00 46.75           O  
-ATOM   2909  CB  THR B 156      84.286  52.509  -3.296  1.00 45.86           C  
-ATOM   2910  OG1 THR B 156      83.244  53.336  -3.826  1.00 46.43           O  
-ATOM   2911  CG2 THR B 156      83.785  52.139  -1.891  1.00 45.87           C  
-ATOM   2912  N   GLU B 157      86.636  54.031  -5.318  1.00 47.73           N  
-ATOM   2913  CA  GLU B 157      87.548  54.000  -6.468  1.00 48.91           C  
-ATOM   2914  C   GLU B 157      89.002  53.666  -6.087  1.00 49.25           C  
-ATOM   2915  O   GLU B 157      89.465  53.999  -4.974  1.00 49.63           O  
-ATOM   2916  CB  GLU B 157      87.511  55.355  -7.208  1.00 49.32           C  
-ATOM   2917  CG  GLU B 157      86.120  55.821  -7.671  1.00 51.24           C  
-ATOM   2918  CD  GLU B 157      86.044  57.321  -7.996  1.00 52.85           C  
-ATOM   2919  OE1 GLU B 157      87.063  57.893  -8.472  1.00 52.85           O  
-ATOM   2920  OE2 GLU B 157      84.959  57.928  -7.780  1.00 52.44           O  
-ATOM   2921  N   ASN B 158      89.710  53.010  -7.013  1.00 49.21           N  
-ATOM   2922  CA  ASN B 158      91.166  52.812  -6.929  1.00 49.05           C  
-ATOM   2923  C   ASN B 158      91.942  54.141  -6.934  1.00 48.68           C  
-ATOM   2924  O   ASN B 158      93.158  54.149  -6.687  1.00 48.90           O  
-ATOM   2925  CB  ASN B 158      91.656  51.992  -8.136  1.00 49.28           C  
-ATOM   2926  CG  ASN B 158      91.470  50.484  -7.961  1.00 50.42           C  
-ATOM   2927  OD1 ASN B 158      91.052  50.011  -6.901  1.00 51.66           O  
-ATOM   2928  ND2 ASN B 158      91.791  49.722  -9.013  1.00 49.35           N  
-ATOM   2929  N   SER B 159      91.218  55.246  -7.180  1.00 47.38           N  
-ATOM   2930  CA  SER B 159      91.743  56.430  -7.884  1.00 45.98           C  
-ATOM   2931  C   SER B 159      93.015  57.096  -7.335  1.00 44.54           C  
-ATOM   2932  O   SER B 159      93.338  56.996  -6.140  1.00 44.41           O  
-ATOM   2933  CB  SER B 159      90.626  57.462  -8.120  1.00 46.45           C  
-ATOM   2934  OG  SER B 159      90.304  58.149  -6.919  1.00 46.66           O  
-ATOM   2935  N   ASP B 160      93.728  57.766  -8.244  1.00 42.41           N  
-ATOM   2936  CA  ASP B 160      94.918  58.542  -7.906  1.00 40.63           C  
-ATOM   2937  C   ASP B 160      94.549  59.911  -7.306  1.00 39.49           C  
-ATOM   2938  O   ASP B 160      94.084  60.811  -8.019  1.00 39.37           O  
-ATOM   2939  CB  ASP B 160      95.815  58.721  -9.136  1.00 40.31           C  
-ATOM   2940  CG  ASP B 160      97.262  59.027  -8.770  1.00 40.50           C  
-ATOM   2941  OD1 ASP B 160      97.524  59.552  -7.664  1.00 37.81           O  
-ATOM   2942  OD2 ASP B 160      98.215  58.783  -9.539  1.00 40.82           O  
-ATOM   2943  N   ASP B 161      94.767  60.067  -6.002  1.00 37.31           N  
-ATOM   2944  CA  ASP B 161      94.593  61.368  -5.367  1.00 36.04           C  
-ATOM   2945  C   ASP B 161      95.726  62.386  -5.620  1.00 34.32           C  
-ATOM   2946  O   ASP B 161      95.681  63.511  -5.116  1.00 33.43           O  
-ATOM   2947  CB  ASP B 161      94.356  61.189  -3.876  1.00 36.09           C  
-ATOM   2948  CG  ASP B 161      93.212  60.247  -3.588  1.00 37.86           C  
-ATOM   2949  OD1 ASP B 161      92.256  60.180  -4.414  1.00 38.93           O  
-ATOM   2950  OD2 ASP B 161      93.184  59.539  -2.555  1.00 39.48           O  
-ATOM   2951  N   SER B 162      96.735  61.997  -6.396  1.00 32.62           N  
-ATOM   2952  CA  SER B 162      97.812  62.925  -6.754  1.00 31.03           C  
-ATOM   2953  C   SER B 162      97.805  63.255  -8.233  1.00 30.32           C  
-ATOM   2954  O   SER B 162      98.755  63.839  -8.751  1.00 30.57           O  
-ATOM   2955  CB  SER B 162      99.159  62.354  -6.331  1.00 30.56           C  
-ATOM   2956  OG  SER B 162      99.582  61.319  -7.192  1.00 30.60           O  
-ATOM   2957  N   GLU B 163      96.731  62.860  -8.911  1.00 29.59           N  
-ATOM   2958  CA  GLU B 163      96.608  63.004 -10.368  1.00 28.85           C  
-ATOM   2959  C   GLU B 163      96.602  64.451 -10.892  1.00 27.95           C  
-ATOM   2960  O   GLU B 163      97.134  64.700 -11.979  1.00 28.04           O  
-ATOM   2961  CB  GLU B 163      95.333  62.320 -10.850  1.00 28.98           C  
-ATOM   2962  CG  GLU B 163      94.884  62.813 -12.226  1.00 31.18           C  
-ATOM   2963  CD  GLU B 163      93.843  61.919 -12.880  1.00 33.01           C  
-ATOM   2964  OE1 GLU B 163      92.874  61.489 -12.192  1.00 33.89           O  
-ATOM   2965  OE2 GLU B 163      94.001  61.652 -14.085  1.00 32.72           O  
-ATOM   2966  N   TYR B 164      95.979  65.367 -10.136  1.00 25.40           N  
-ATOM   2967  CA  TYR B 164      95.723  66.743 -10.560  1.00 23.91           C  
-ATOM   2968  C   TYR B 164      96.721  67.704  -9.916  1.00 22.57           C  
-ATOM   2969  O   TYR B 164      96.570  68.920  -9.959  1.00 21.85           O  
-ATOM   2970  CB  TYR B 164      94.269  67.150 -10.234  1.00 23.66           C  
-ATOM   2971  CG  TYR B 164      93.285  66.288 -10.968  1.00 24.77           C  
-ATOM   2972  CD1 TYR B 164      93.266  66.285 -12.365  1.00 26.58           C  
-ATOM   2973  CD2 TYR B 164      92.425  65.414 -10.279  1.00 25.13           C  
-ATOM   2974  CE1 TYR B 164      92.406  65.462 -13.064  1.00 28.88           C  
-ATOM   2975  CE2 TYR B 164      91.561  64.581 -10.971  1.00 27.26           C  
-ATOM   2976  CZ  TYR B 164      91.557  64.618 -12.366  1.00 28.44           C  
-ATOM   2977  OH  TYR B 164      90.721  63.815 -13.093  1.00 33.36           O  
-ATOM   2978  N   PHE B 165      97.761  67.129  -9.349  1.00 21.39           N  
-ATOM   2979  CA  PHE B 165      98.762  67.903  -8.629  1.00 19.80           C  
-ATOM   2980  C   PHE B 165      99.549  68.773  -9.585  1.00 18.85           C  
-ATOM   2981  O   PHE B 165      99.867  68.359 -10.687  1.00 18.32           O  
-ATOM   2982  CB  PHE B 165      99.668  66.972  -7.845  1.00 18.95           C  
-ATOM   2983  CG  PHE B 165     100.543  67.676  -6.861  1.00 18.38           C  
-ATOM   2984  CD1 PHE B 165     100.015  68.180  -5.694  1.00 17.15           C  
-ATOM   2985  CD2 PHE B 165     101.900  67.838  -7.108  1.00 16.86           C  
-ATOM   2986  CE1 PHE B 165     100.820  68.830  -4.767  1.00 18.06           C  
-ATOM   2987  CE2 PHE B 165     102.714  68.485  -6.208  1.00 17.24           C  
-ATOM   2988  CZ  PHE B 165     102.204  68.986  -5.030  1.00 16.95           C  
-ATOM   2989  N   SER B 166      99.829  69.999  -9.167  1.00 17.88           N  
-ATOM   2990  CA  SER B 166     100.504  70.949 -10.054  1.00 17.22           C  
-ATOM   2991  C   SER B 166     101.917  70.487 -10.456  1.00 16.80           C  
-ATOM   2992  O   SER B 166     102.727  70.124  -9.595  1.00 15.56           O  
-ATOM   2993  CB  SER B 166     100.568  72.340  -9.425  1.00 17.11           C  
-ATOM   2994  OG  SER B 166     101.430  73.156 -10.219  1.00 16.41           O  
-ATOM   2995  N   GLN B 167     102.221  70.521 -11.760  1.00 16.81           N  
-ATOM   2996  CA  GLN B 167     103.588  70.257 -12.235  1.00 17.34           C  
-ATOM   2997  C   GLN B 167     104.580  71.375 -11.884  1.00 17.11           C  
-ATOM   2998  O   GLN B 167     105.783  71.193 -12.035  1.00 16.83           O  
-ATOM   2999  CB  GLN B 167     103.606  70.032 -13.750  1.00 17.91           C  
-ATOM   3000  CG  GLN B 167     103.283  71.298 -14.530  1.00 19.56           C  
-ATOM   3001  CD  GLN B 167     103.116  71.085 -16.000  1.00 22.40           C  
-ATOM   3002  OE1 GLN B 167     104.101  70.862 -16.712  1.00 22.67           O  
-ATOM   3003  NE2 GLN B 167     101.868  71.192 -16.486  1.00 22.14           N  
-ATOM   3004  N   TYR B 168     104.074  72.512 -11.411  1.00 17.19           N  
-ATOM   3005  CA  TYR B 168     104.888  73.682 -11.127  1.00 16.89           C  
-ATOM   3006  C   TYR B 168     105.254  73.784  -9.668  1.00 16.66           C  
-ATOM   3007  O   TYR B 168     106.145  74.552  -9.314  1.00 16.92           O  
-ATOM   3008  CB  TYR B 168     104.164  74.934 -11.612  1.00 17.09           C  
-ATOM   3009  CG  TYR B 168     103.944  74.864 -13.083  1.00 17.11           C  
-ATOM   3010  CD1 TYR B 168     104.989  74.590 -13.943  1.00 17.17           C  
-ATOM   3011  CD2 TYR B 168     102.692  75.000 -13.618  1.00 16.96           C  
-ATOM   3012  CE1 TYR B 168     104.788  74.485 -15.321  1.00 17.86           C  
-ATOM   3013  CE2 TYR B 168     102.489  74.907 -14.983  1.00 16.56           C  
-ATOM   3014  CZ  TYR B 168     103.517  74.648 -15.825  1.00 17.54           C  
-ATOM   3015  OH  TYR B 168     103.271  74.563 -17.192  1.00 18.85           O  
-ATOM   3016  N   SER B 169     104.591  72.983  -8.839  1.00 15.86           N  
-ATOM   3017  CA  SER B 169     104.974  72.860  -7.436  1.00 15.65           C  
-ATOM   3018  C   SER B 169     106.453  72.585  -7.244  1.00 15.79           C  
-ATOM   3019  O   SER B 169     107.117  72.017  -8.116  1.00 15.15           O  
-ATOM   3020  CB  SER B 169     104.149  71.788  -6.730  1.00 15.15           C  
-ATOM   3021  OG  SER B 169     104.379  71.870  -5.343  1.00 15.52           O  
-ATOM   3022  N   ARG B 170     106.951  72.988  -6.072  1.00 16.26           N  
-ATOM   3023  CA  ARG B 170     108.310  72.735  -5.664  1.00 16.44           C  
-ATOM   3024  C   ARG B 170     108.391  71.302  -5.141  1.00 15.72           C  
-ATOM   3025  O   ARG B 170     109.485  70.799  -4.883  1.00 14.90           O  
-ATOM   3026  CB  ARG B 170     108.621  73.646  -4.496  1.00 17.04           C  
-ATOM   3027  CG  ARG B 170     109.573  74.751  -4.807  1.00 20.51           C  
-ATOM   3028  CD  ARG B 170     109.950  75.523  -3.517  1.00 24.31           C  
-ATOM   3029  NE  ARG B 170     108.746  75.826  -2.735  1.00 26.58           N  
-ATOM   3030  CZ  ARG B 170     108.758  76.295  -1.486  1.00 27.84           C  
-ATOM   3031  NH1 ARG B 170     109.930  76.525  -0.875  1.00 25.46           N  
-ATOM   3032  NH2 ARG B 170     107.595  76.543  -0.861  1.00 25.30           N  
-ATOM   3033  N   PHE B 171     107.221  70.675  -4.980  1.00 14.35           N  
-ATOM   3034  CA  PHE B 171     107.114  69.361  -4.345  1.00 14.62           C  
-ATOM   3035  C   PHE B 171     106.656  68.335  -5.348  1.00 14.98           C  
-ATOM   3036  O   PHE B 171     106.132  68.695  -6.387  1.00 15.30           O  
-ATOM   3037  CB  PHE B 171     106.131  69.431  -3.188  1.00 12.99           C  
-ATOM   3038  CG  PHE B 171     106.494  70.493  -2.174  1.00 15.04           C  
-ATOM   3039  CD1 PHE B 171     107.421  70.234  -1.178  1.00 12.78           C  
-ATOM   3040  CD2 PHE B 171     105.969  71.780  -2.266  1.00 16.51           C  
-ATOM   3041  CE1 PHE B 171     107.778  71.229  -0.242  1.00 14.88           C  
-ATOM   3042  CE2 PHE B 171     106.325  72.774  -1.350  1.00 17.49           C  
-ATOM   3043  CZ  PHE B 171     107.229  72.494  -0.323  1.00 14.79           C  
-ATOM   3044  N   GLU B 172     106.853  67.063  -5.036  1.00 15.72           N  
-ATOM   3045  CA  GLU B 172     106.191  66.004  -5.779  1.00 16.61           C  
-ATOM   3046  C   GLU B 172     105.577  65.008  -4.814  1.00 16.94           C  
-ATOM   3047  O   GLU B 172     106.126  64.789  -3.738  1.00 16.91           O  
-ATOM   3048  CB  GLU B 172     107.162  65.309  -6.700  1.00 17.16           C  
-ATOM   3049  CG  GLU B 172     108.412  64.778  -6.022  1.00 18.31           C  
-ATOM   3050  CD  GLU B 172     109.389  64.169  -6.990  1.00 22.48           C  
-ATOM   3051  OE1 GLU B 172     109.013  63.961  -8.172  1.00 25.00           O  
-ATOM   3052  OE2 GLU B 172     110.558  63.871  -6.577  1.00 22.90           O  
-ATOM   3053  N   ILE B 173     104.432  64.441  -5.194  1.00 17.19           N  
-ATOM   3054  CA  ILE B 173     103.728  63.466  -4.387  1.00 17.76           C  
-ATOM   3055  C   ILE B 173     104.190  62.059  -4.757  1.00 18.09           C  
-ATOM   3056  O   ILE B 173     104.190  61.687  -5.918  1.00 17.94           O  
-ATOM   3057  CB  ILE B 173     102.224  63.603  -4.614  1.00 18.10           C  
-ATOM   3058  CG1 ILE B 173     101.750  64.968  -4.085  1.00 18.52           C  
-ATOM   3059  CG2 ILE B 173     101.468  62.391  -3.975  1.00 17.78           C  
-ATOM   3060  CD1 ILE B 173     100.268  65.206  -4.255  1.00 20.38           C  
-ATOM   3061  N   LEU B 174     104.593  61.293  -3.757  1.00 18.57           N  
-ATOM   3062  CA  LEU B 174     105.082  59.930  -3.992  1.00 19.24           C  
-ATOM   3063  C   LEU B 174     103.950  58.930  -3.859  1.00 19.46           C  
-ATOM   3064  O   LEU B 174     103.942  57.941  -4.550  1.00 19.66           O  
-ATOM   3065  CB  LEU B 174     106.228  59.562  -3.033  1.00 18.99           C  
-ATOM   3066  CG  LEU B 174     107.430  60.506  -3.065  1.00 19.32           C  
-ATOM   3067  CD1 LEU B 174     108.359  60.238  -1.925  1.00 19.16           C  
-ATOM   3068  CD2 LEU B 174     108.160  60.398  -4.415  1.00 18.74           C  
-ATOM   3069  N   ASP B 175     103.006  59.213  -2.971  1.00 20.01           N  
-ATOM   3070  CA  ASP B 175     101.925  58.306  -2.616  1.00 21.06           C  
-ATOM   3071  C   ASP B 175     100.882  59.002  -1.739  1.00 20.82           C  
-ATOM   3072  O   ASP B 175     101.219  59.833  -0.905  1.00 20.33           O  
-ATOM   3073  CB  ASP B 175     102.460  57.089  -1.848  1.00 21.70           C  
-ATOM   3074  CG  ASP B 175     101.709  55.787  -2.183  1.00 24.33           C  
-ATOM   3075  OD1 ASP B 175     100.625  55.833  -2.820  1.00 26.37           O  
-ATOM   3076  OD2 ASP B 175     102.148  54.661  -1.841  1.00 27.80           O  
-ATOM   3077  N   VAL B 176      99.627  58.622  -1.951  1.00 21.09           N  
-ATOM   3078  CA  VAL B 176      98.518  58.950  -1.076  1.00 21.87           C  
-ATOM   3079  C   VAL B 176      97.789  57.664  -0.648  1.00 22.57           C  
-ATOM   3080  O   VAL B 176      97.333  56.908  -1.489  1.00 22.96           O  
-ATOM   3081  CB  VAL B 176      97.526  59.944  -1.761  1.00 21.90           C  
-ATOM   3082  CG1 VAL B 176      96.429  60.368  -0.802  1.00 20.92           C  
-ATOM   3083  CG2 VAL B 176      98.257  61.173  -2.298  1.00 20.55           C  
-ATOM   3084  N   THR B 177      97.721  57.398   0.655  1.00 23.12           N  
-ATOM   3085  CA  THR B 177      96.904  56.290   1.178  1.00 23.74           C  
-ATOM   3086  C   THR B 177      95.868  56.763   2.180  1.00 23.58           C  
-ATOM   3087  O   THR B 177      96.012  57.841   2.739  1.00 23.19           O  
-ATOM   3088  CB  THR B 177      97.775  55.221   1.830  1.00 24.04           C  
-ATOM   3089  OG1 THR B 177      98.639  55.836   2.799  1.00 24.94           O  
-ATOM   3090  CG2 THR B 177      98.733  54.566   0.787  1.00 24.35           C  
-ATOM   3091  N   GLN B 178      94.850  55.936   2.410  1.00 22.35           N  
-ATOM   3092  CA  GLN B 178      93.773  56.228   3.359  1.00 22.56           C  
-ATOM   3093  C   GLN B 178      93.513  55.059   4.321  1.00 21.67           C  
-ATOM   3094  O   GLN B 178      93.773  53.906   3.996  1.00 19.44           O  
-ATOM   3095  CB  GLN B 178      92.465  56.531   2.613  1.00 23.96           C  
-ATOM   3096  CG  GLN B 178      92.592  57.549   1.480  1.00 27.46           C  
-ATOM   3097  CD  GLN B 178      93.067  56.928   0.170  1.00 33.02           C  
-ATOM   3098  OE1 GLN B 178      92.651  55.805  -0.208  1.00 36.80           O  
-ATOM   3099  NE2 GLN B 178      93.948  57.653  -0.538  1.00 33.86           N  
-ATOM   3100  N   LYS B 179      92.992  55.371   5.507  1.00 20.89           N  
-ATOM   3101  CA  LYS B 179      92.650  54.327   6.485  1.00 19.82           C  
-ATOM   3102  C   LYS B 179      91.463  54.878   7.262  1.00 18.70           C  
-ATOM   3103  O   LYS B 179      91.459  56.059   7.617  1.00 17.52           O  
-ATOM   3104  CB  LYS B 179      93.856  54.079   7.393  1.00 20.45           C  
-ATOM   3105  CG  LYS B 179      93.673  52.972   8.405  1.00 23.23           C  
-ATOM   3106  CD  LYS B 179      94.999  52.482   8.957  1.00 26.90           C  
-ATOM   3107  CE  LYS B 179      94.812  51.900  10.372  1.00 28.95           C  
-ATOM   3108  NZ  LYS B 179      94.723  53.000  11.396  1.00 28.50           N  
-ATOM   3109  N   LYS B 180      90.440  54.061   7.503  1.00 17.22           N  
-ATOM   3110  CA  LYS B 180      89.345  54.510   8.352  1.00 16.62           C  
-ATOM   3111  C   LYS B 180      89.767  54.250   9.777  1.00 15.92           C  
-ATOM   3112  O   LYS B 180      90.453  53.237  10.041  1.00 15.55           O  
-ATOM   3113  CB  LYS B 180      88.022  53.803   8.055  1.00 18.12           C  
-ATOM   3114  CG  LYS B 180      87.738  53.279   6.639  1.00 19.01           C  
-ATOM   3115  CD  LYS B 180      86.667  52.124   6.743  1.00 23.56           C  
-ATOM   3116  CE  LYS B 180      87.193  50.824   6.072  1.00 24.95           C  
-ATOM   3117  NZ  LYS B 180      86.850  49.540   6.780  1.00 27.71           N  
-ATOM   3118  N   ASN B 181      89.443  55.166  10.689  1.00 13.96           N  
-ATOM   3119  CA  ASN B 181      89.564  54.883  12.120  1.00 14.46           C  
-ATOM   3120  C   ASN B 181      88.246  55.179  12.783  1.00 14.25           C  
-ATOM   3121  O   ASN B 181      87.377  55.749  12.164  1.00 15.47           O  
-ATOM   3122  CB  ASN B 181      90.680  55.680  12.847  1.00 14.14           C  
-ATOM   3123  CG  ASN B 181      92.068  55.426  12.272  1.00 16.57           C  
-ATOM   3124  OD1 ASN B 181      92.772  54.428  12.649  1.00 14.46           O  
-ATOM   3125  ND2 ASN B 181      92.478  56.304  11.328  1.00 15.62           N  
-ATOM   3126  N   SER B 182      88.101  54.804  14.049  1.00 14.71           N  
-ATOM   3127  CA  SER B 182      86.943  55.214  14.798  1.00 14.97           C  
-ATOM   3128  C   SER B 182      87.336  55.410  16.241  1.00 15.39           C  
-ATOM   3129  O   SER B 182      87.809  54.470  16.890  1.00 15.67           O  
-ATOM   3130  CB  SER B 182      85.851  54.173  14.695  1.00 15.04           C  
-ATOM   3131  OG  SER B 182      84.621  54.865  14.680  1.00 18.64           O  
-ATOM   3132  N   VAL B 183      87.086  56.602  16.762  1.00 14.32           N  
-ATOM   3133  CA  VAL B 183      87.637  56.943  18.056  1.00 15.17           C  
-ATOM   3134  C   VAL B 183      86.628  57.531  19.033  1.00 14.90           C  
-ATOM   3135  O   VAL B 183      85.596  58.083  18.668  1.00 12.33           O  
-ATOM   3136  CB  VAL B 183      88.912  57.871  17.995  1.00 15.91           C  
-ATOM   3137  CG1 VAL B 183      90.113  57.080  18.213  1.00 18.83           C  
-ATOM   3138  CG2 VAL B 183      89.031  58.618  16.682  1.00 14.90           C  
-ATOM   3139  N   THR B 184      86.952  57.326  20.298  1.00 14.98           N  
-ATOM   3140  CA  THR B 184      86.199  57.873  21.386  1.00 16.74           C  
-ATOM   3141  C   THR B 184      86.996  59.069  21.939  1.00 15.88           C  
-ATOM   3142  O   THR B 184      88.242  59.088  21.849  1.00 15.63           O  
-ATOM   3143  CB  THR B 184      85.977  56.758  22.419  1.00 16.80           C  
-ATOM   3144  OG1 THR B 184      85.170  55.714  21.813  1.00 19.48           O  
-ATOM   3145  CG2 THR B 184      85.036  57.227  23.517  1.00 20.63           C  
-ATOM   3146  N   TYR B 185      86.279  60.063  22.457  1.00 15.68           N  
-ATOM   3147  CA  TYR B 185      86.879  61.259  23.070  1.00 16.14           C  
-ATOM   3148  C   TYR B 185      86.370  61.355  24.454  1.00 16.82           C  
-ATOM   3149  O   TYR B 185      85.281  60.850  24.743  1.00 16.94           O  
-ATOM   3150  CB  TYR B 185      86.533  62.556  22.295  1.00 15.91           C  
-ATOM   3151  CG  TYR B 185      87.034  62.459  20.903  1.00 14.86           C  
-ATOM   3152  CD1 TYR B 185      86.264  61.833  19.921  1.00 12.18           C  
-ATOM   3153  CD2 TYR B 185      88.297  62.935  20.560  1.00 15.05           C  
-ATOM   3154  CE1 TYR B 185      86.724  61.698  18.654  1.00 10.81           C  
-ATOM   3155  CE2 TYR B 185      88.783  62.787  19.284  1.00 11.62           C  
-ATOM   3156  CZ  TYR B 185      87.984  62.173  18.339  1.00 12.20           C  
-ATOM   3157  OH  TYR B 185      88.445  62.000  17.074  1.00 12.40           O  
-ATOM   3158  N   SER B 186      87.142  62.013  25.315  1.00 18.23           N  
-ATOM   3159  CA  SER B 186      86.787  62.147  26.732  1.00 20.66           C  
-ATOM   3160  C   SER B 186      85.429  62.790  26.957  1.00 20.73           C  
-ATOM   3161  O   SER B 186      84.780  62.563  27.967  1.00 20.02           O  
-ATOM   3162  CB  SER B 186      87.860  62.961  27.441  1.00 21.78           C  
-ATOM   3163  OG  SER B 186      89.016  62.140  27.624  1.00 26.13           O  
-ATOM   3164  N   CYS B 187      85.000  63.584  25.993  1.00 21.56           N  
-ATOM   3165  CA  CYS B 187      83.805  64.391  26.143  1.00 23.46           C  
-ATOM   3166  C   CYS B 187      82.496  63.597  26.099  1.00 24.22           C  
-ATOM   3167  O   CYS B 187      81.479  64.004  26.680  1.00 25.37           O  
-ATOM   3168  CB  CYS B 187      83.799  65.414  25.031  1.00 24.08           C  
-ATOM   3169  SG  CYS B 187      83.599  64.684  23.383  1.00 25.42           S  
-ATOM   3170  N   CYS B 188      82.512  62.457  25.420  1.00 24.22           N  
-ATOM   3171  CA  CYS B 188      81.280  61.873  24.914  1.00 23.90           C  
-ATOM   3172  C   CYS B 188      81.403  60.348  24.883  1.00 22.84           C  
-ATOM   3173  O   CYS B 188      82.498  59.827  24.676  1.00 22.97           O  
-ATOM   3174  CB  CYS B 188      81.033  62.413  23.497  1.00 25.21           C  
-ATOM   3175  SG  CYS B 188      81.591  64.135  23.100  1.00 28.95           S  
-ATOM   3176  N   PRO B 189      80.308  59.618  25.096  1.00 21.31           N  
-ATOM   3177  CA  PRO B 189      80.403  58.150  25.203  1.00 19.81           C  
-ATOM   3178  C   PRO B 189      80.459  57.411  23.844  1.00 18.88           C  
-ATOM   3179  O   PRO B 189      80.714  56.203  23.820  1.00 17.61           O  
-ATOM   3180  CB  PRO B 189      79.121  57.791  25.947  1.00 19.98           C  
-ATOM   3181  CG  PRO B 189      78.093  58.828  25.383  1.00 20.20           C  
-ATOM   3182  CD  PRO B 189      78.921  60.098  25.277  1.00 20.58           C  
-ATOM   3183  N   GLU B 190      80.225  58.084  22.731  1.00 16.58           N  
-ATOM   3184  CA  GLU B 190      80.193  57.312  21.493  1.00 17.54           C  
-ATOM   3185  C   GLU B 190      81.421  57.423  20.584  1.00 17.38           C  
-ATOM   3186  O   GLU B 190      82.276  58.301  20.734  1.00 19.11           O  
-ATOM   3187  CB  GLU B 190      78.861  57.414  20.731  1.00 15.63           C  
-ATOM   3188  CG  GLU B 190      77.667  57.015  21.590  1.00 16.95           C  
-ATOM   3189  CD  GLU B 190      76.363  56.886  20.827  1.00 16.52           C  
-ATOM   3190  OE1 GLU B 190      76.381  56.288  19.731  1.00 17.69           O  
-ATOM   3191  OE2 GLU B 190      75.318  57.394  21.302  1.00 15.25           O  
-ATOM   3192  N   ALA B 191      81.513  56.498  19.657  1.00 16.79           N  
-ATOM   3193  CA  ALA B 191      82.620  56.479  18.739  1.00 16.08           C  
-ATOM   3194  C   ALA B 191      82.327  57.404  17.549  1.00 15.33           C  
-ATOM   3195  O   ALA B 191      81.204  57.458  17.036  1.00 14.27           O  
-ATOM   3196  CB  ALA B 191      82.881  55.069  18.288  1.00 15.78           C  
-ATOM   3197  N   TYR B 192      83.367  58.093  17.107  1.00 15.08           N  
-ATOM   3198  CA  TYR B 192      83.287  58.965  15.926  1.00 15.87           C  
-ATOM   3199  C   TYR B 192      84.191  58.433  14.815  1.00 16.52           C  
-ATOM   3200  O   TYR B 192      85.344  58.076  15.055  1.00 16.65           O  
-ATOM   3201  CB  TYR B 192      83.685  60.408  16.301  1.00 14.95           C  
-ATOM   3202  CG  TYR B 192      82.692  61.042  17.241  1.00 15.08           C  
-ATOM   3203  CD1 TYR B 192      82.753  60.794  18.604  1.00 15.46           C  
-ATOM   3204  CD2 TYR B 192      81.677  61.874  16.765  1.00 14.89           C  
-ATOM   3205  CE1 TYR B 192      81.835  61.360  19.475  1.00 16.40           C  
-ATOM   3206  CE2 TYR B 192      80.755  62.463  17.638  1.00 15.38           C  
-ATOM   3207  CZ  TYR B 192      80.844  62.184  18.986  1.00 15.75           C  
-ATOM   3208  OH  TYR B 192      79.986  62.684  19.898  1.00 16.86           O  
-ATOM   3209  N   GLU B 193      83.677  58.393  13.597  1.00 16.92           N  
-ATOM   3210  CA  GLU B 193      84.497  57.937  12.494  1.00 17.87           C  
-ATOM   3211  C   GLU B 193      85.339  59.035  11.832  1.00 18.42           C  
-ATOM   3212  O   GLU B 193      84.909  60.209  11.677  1.00 17.02           O  
-ATOM   3213  CB  GLU B 193      83.650  57.205  11.459  1.00 17.75           C  
-ATOM   3214  CG  GLU B 193      83.061  55.916  12.036  1.00 18.12           C  
-ATOM   3215  CD  GLU B 193      82.372  55.052  10.996  1.00 19.87           C  
-ATOM   3216  OE1 GLU B 193      82.492  55.363   9.783  1.00 20.00           O  
-ATOM   3217  OE2 GLU B 193      81.713  54.070  11.413  1.00 21.38           O  
-ATOM   3218  N   ASP B 194      86.525  58.608  11.396  1.00 18.96           N  
-ATOM   3219  CA  ASP B 194      87.377  59.476  10.617  1.00 19.90           C  
-ATOM   3220  C   ASP B 194      88.066  58.762   9.458  1.00 19.88           C  
-ATOM   3221  O   ASP B 194      88.225  57.508   9.450  1.00 18.95           O  
-ATOM   3222  CB  ASP B 194      88.381  60.194  11.524  1.00 20.57           C  
-ATOM   3223  CG  ASP B 194      89.462  59.278  12.082  1.00 24.62           C  
-ATOM   3224  OD1 ASP B 194      90.329  58.794  11.309  1.00 27.78           O  
-ATOM   3225  OD2 ASP B 194      89.559  59.019  13.313  1.00 29.39           O  
-ATOM   3226  N   VAL B 195      88.438  59.536   8.450  1.00 18.98           N  
-ATOM   3227  CA  VAL B 195      89.407  59.035   7.492  1.00 19.47           C  
-ATOM   3228  C   VAL B 195      90.759  59.725   7.707  1.00 18.92           C  
-ATOM   3229  O   VAL B 195      90.815  60.935   7.851  1.00 18.29           O  
-ATOM   3230  CB  VAL B 195      88.918  59.203   6.052  1.00 19.82           C  
-ATOM   3231  CG1 VAL B 195      90.029  58.826   5.062  1.00 20.76           C  
-ATOM   3232  CG2 VAL B 195      87.699  58.300   5.824  1.00 20.28           C  
-ATOM   3233  N   GLU B 196      91.827  58.937   7.746  1.00 18.47           N  
-ATOM   3234  CA  GLU B 196      93.187  59.475   7.795  1.00 18.90           C  
-ATOM   3235  C   GLU B 196      93.792  59.417   6.427  1.00 18.30           C  
-ATOM   3236  O   GLU B 196      93.917  58.353   5.856  1.00 18.51           O  
-ATOM   3237  CB  GLU B 196      94.082  58.735   8.799  1.00 18.88           C  
-ATOM   3238  CG  GLU B 196      94.007  59.359  10.203  1.00 23.32           C  
-ATOM   3239  CD  GLU B 196      94.564  58.488  11.343  1.00 28.10           C  
-ATOM   3240  OE1 GLU B 196      95.176  57.399  11.070  1.00 28.76           O  
-ATOM   3241  OE2 GLU B 196      94.368  58.908  12.531  1.00 28.82           O  
-ATOM   3242  N   VAL B 197      94.154  60.573   5.882  1.00 17.80           N  
-ATOM   3243  CA  VAL B 197      94.767  60.630   4.558  1.00 17.43           C  
-ATOM   3244  C   VAL B 197      96.259  60.908   4.720  1.00 17.20           C  
-ATOM   3245  O   VAL B 197      96.660  61.959   5.265  1.00 16.51           O  
-ATOM   3246  CB  VAL B 197      94.092  61.710   3.694  1.00 17.82           C  
-ATOM   3247  CG1 VAL B 197      94.769  61.845   2.328  1.00 17.17           C  
-ATOM   3248  CG2 VAL B 197      92.607  61.399   3.519  1.00 17.86           C  
-ATOM   3249  N   SER B 198      97.069  59.941   4.307  1.00 16.70           N  
-ATOM   3250  CA  SER B 198      98.525  60.017   4.409  1.00 16.93           C  
-ATOM   3251  C   SER B 198      99.136  60.452   3.081  1.00 17.08           C  
-ATOM   3252  O   SER B 198      99.094  59.717   2.105  1.00 16.71           O  
-ATOM   3253  CB  SER B 198      99.131  58.679   4.848  1.00 17.34           C  
-ATOM   3254  OG  SER B 198      98.731  58.373   6.179  1.00 19.49           O  
-ATOM   3255  N   LEU B 199      99.678  61.666   3.071  1.00 16.60           N  
-ATOM   3256  CA  LEU B 199     100.293  62.277   1.923  1.00 16.45           C  
-ATOM   3257  C   LEU B 199     101.827  62.118   2.036  1.00 16.00           C  
-ATOM   3258  O   LEU B 199     102.475  62.731   2.887  1.00 15.87           O  
-ATOM   3259  CB  LEU B 199      99.915  63.765   1.886  1.00 16.56           C  
-ATOM   3260  CG  LEU B 199     100.581  64.714   0.857  1.00 17.90           C  
-ATOM   3261  CD1 LEU B 199     100.204  64.336  -0.573  1.00 18.06           C  
-ATOM   3262  CD2 LEU B 199     100.220  66.162   1.130  1.00 18.50           C  
-ATOM   3263  N   ASN B 200     102.383  61.280   1.179  1.00 15.48           N  
-ATOM   3264  CA  ASN B 200     103.815  61.026   1.127  1.00 15.44           C  
-ATOM   3265  C   ASN B 200     104.379  61.899   0.012  1.00 14.79           C  
-ATOM   3266  O   ASN B 200     104.066  61.678  -1.166  1.00 14.47           O  
-ATOM   3267  CB  ASN B 200     104.099  59.533   0.865  1.00 15.52           C  
-ATOM   3268  CG  ASN B 200     105.604  59.180   0.905  1.00 16.94           C  
-ATOM   3269  OD1 ASN B 200     106.058  58.214   0.255  1.00 17.27           O  
-ATOM   3270  ND2 ASN B 200     106.377  59.954   1.669  1.00 17.87           N  
-ATOM   3271  N   PHE B 201     105.170  62.905   0.389  1.00 13.68           N  
-ATOM   3272  CA  PHE B 201     105.687  63.887  -0.565  1.00 13.32           C  
-ATOM   3273  C   PHE B 201     107.127  64.321  -0.223  1.00 12.49           C  
-ATOM   3274  O   PHE B 201     107.579  64.067   0.867  1.00 12.54           O  
-ATOM   3275  CB  PHE B 201     104.756  65.101  -0.623  1.00 13.55           C  
-ATOM   3276  CG  PHE B 201     104.824  65.987   0.590  1.00 14.90           C  
-ATOM   3277  CD1 PHE B 201     104.258  65.599   1.793  1.00 14.57           C  
-ATOM   3278  CD2 PHE B 201     105.456  67.216   0.518  1.00 15.67           C  
-ATOM   3279  CE1 PHE B 201     104.331  66.416   2.903  1.00 15.65           C  
-ATOM   3280  CE2 PHE B 201     105.524  68.054   1.626  1.00 15.81           C  
-ATOM   3281  CZ  PHE B 201     104.969  67.651   2.825  1.00 15.93           C  
-ATOM   3282  N   ARG B 202     107.835  64.990  -1.135  1.00  9.35           N  
-ATOM   3283  CA  ARG B 202     109.178  65.524  -0.863  1.00  8.28           C  
-ATOM   3284  C   ARG B 202     109.489  66.754  -1.743  1.00  7.93           C  
-ATOM   3285  O   ARG B 202     108.835  66.956  -2.767  1.00  7.02           O  
-ATOM   3286  CB  ARG B 202     110.270  64.458  -1.097  1.00  7.32           C  
-ATOM   3287  CG  ARG B 202     110.503  64.126  -2.559  1.00  5.94           C  
-ATOM   3288  CD  ARG B 202     111.354  62.865  -2.834  1.00  5.73           C  
-ATOM   3289  NE  ARG B 202     111.370  62.590  -4.269  1.00  3.95           N  
-ATOM   3290  CZ  ARG B 202     111.739  61.443  -4.832  1.00  7.29           C  
-ATOM   3291  NH1 ARG B 202     112.157  60.415  -4.100  1.00  5.47           N  
-ATOM   3292  NH2 ARG B 202     111.707  61.328  -6.149  1.00  3.85           N  
-ATOM   3293  N   LYS B 203     110.501  67.545  -1.387  1.00  7.67           N  
-ATOM   3294  CA  LYS B 203     110.894  68.621  -2.308  1.00  9.85           C  
-ATOM   3295  C   LYS B 203     111.578  68.013  -3.548  1.00  9.80           C  
-ATOM   3296  O   LYS B 203     112.111  66.890  -3.487  1.00  9.26           O  
-ATOM   3297  CB  LYS B 203     111.743  69.723  -1.635  1.00 10.64           C  
-ATOM   3298  CG  LYS B 203     111.316  70.102  -0.163  1.00 13.08           C  
-ATOM   3299  CD  LYS B 203     111.348  71.666   0.087  1.00 18.19           C  
-ATOM   3300  CE  LYS B 203     112.165  72.128   1.339  1.00 16.53           C  
-ATOM   3301  NZ  LYS B 203     112.897  73.464   1.052  1.00 15.69           N  
-ATOM   3302  N   LYS B 204     111.519  68.729  -4.668  1.00  9.26           N  
-ATOM   3303  CA  LYS B 204     112.173  68.315  -5.871  1.00 10.34           C  
-ATOM   3304  C   LYS B 204     113.620  68.767  -5.750  1.00 11.51           C  
-ATOM   3305  O   LYS B 204     113.943  69.563  -4.868  1.00 12.20           O  
-ATOM   3306  CB  LYS B 204     111.522  68.978  -7.111  1.00 11.33           C  
-ATOM   3307  CG  LYS B 204     110.065  68.574  -7.398  1.00  9.47           C  
-ATOM   3308  CD  LYS B 204     109.640  69.107  -8.787  1.00 13.85           C  
-ATOM   3309  CE  LYS B 204     108.121  69.025  -8.969  1.00 11.36           C  
-ATOM   3310  NZ  LYS B 204     107.693  69.598 -10.249  1.00 11.79           N  
-ATOM   3311  N   GLY B 205     114.484  68.265  -6.627  1.00 11.44           N  
-ATOM   3312  CA  GLY B 205     115.875  68.698  -6.687  1.00 13.31           C  
-ATOM   3313  C   GLY B 205     116.025  69.948  -7.537  1.00 14.38           C  
-ATOM   3314  O   GLY B 205     115.023  70.656  -7.818  1.00 15.41           O  
-TER    3315      GLY B 205                                                      
-ATOM   3316  N   GLU C   0      56.073  60.939  19.810  1.00 25.47           N  
-ATOM   3317  CA  GLU C   0      56.968  60.590  18.656  1.00 25.61           C  
-ATOM   3318  C   GLU C   0      57.362  61.816  17.823  1.00 25.13           C  
-ATOM   3319  O   GLU C   0      56.498  62.464  17.219  1.00 25.35           O  
-ATOM   3320  CB  GLU C   0      56.309  59.561  17.738  1.00 26.30           C  
-ATOM   3321  CG  GLU C   0      56.850  58.131  17.846  1.00 29.33           C  
-ATOM   3322  CD  GLU C   0      56.042  57.105  17.032  1.00 32.51           C  
-ATOM   3323  OE1 GLU C   0      56.396  56.881  15.850  1.00 32.38           O  
-ATOM   3324  OE2 GLU C   0      55.056  56.505  17.562  1.00 35.81           O  
-ATOM   3325  N   PHE C   1      58.666  62.110  17.796  1.00 23.08           N  
-ATOM   3326  CA  PHE C   1      59.254  63.110  16.918  1.00 22.54           C  
-ATOM   3327  C   PHE C   1      60.400  62.484  16.161  1.00 21.62           C  
-ATOM   3328  O   PHE C   1      61.104  61.644  16.709  1.00 21.68           O  
-ATOM   3329  CB  PHE C   1      59.839  64.274  17.731  1.00 22.60           C  
-ATOM   3330  CG  PHE C   1      58.922  64.816  18.763  1.00 24.55           C  
-ATOM   3331  CD1 PHE C   1      57.816  65.581  18.389  1.00 26.47           C  
-ATOM   3332  CD2 PHE C   1      59.148  64.568  20.111  1.00 25.90           C  
-ATOM   3333  CE1 PHE C   1      56.942  66.110  19.355  1.00 28.25           C  
-ATOM   3334  CE2 PHE C   1      58.277  65.083  21.091  1.00 27.22           C  
-ATOM   3335  CZ  PHE C   1      57.172  65.863  20.713  1.00 28.44           C  
-ATOM   3336  N   ASP C   2      60.590  62.895  14.915  1.00 20.70           N  
-ATOM   3337  CA  ASP C   2      61.830  62.591  14.223  1.00 20.16           C  
-ATOM   3338  C   ASP C   2      62.780  63.783  14.360  1.00 19.29           C  
-ATOM   3339  O   ASP C   2      62.388  64.847  14.931  1.00 18.61           O  
-ATOM   3340  CB  ASP C   2      61.590  62.151  12.768  1.00 20.56           C  
-ATOM   3341  CG  ASP C   2      60.963  63.235  11.905  1.00 21.91           C  
-ATOM   3342  OD1 ASP C   2      60.967  64.419  12.297  1.00 22.61           O  
-ATOM   3343  OD2 ASP C   2      60.438  62.988  10.804  1.00 23.74           O  
-ATOM   3344  N   ARG C   3      64.001  63.616  13.852  1.00 18.29           N  
-ATOM   3345  CA  ARG C   3      65.013  64.654  13.936  1.00 17.70           C  
-ATOM   3346  C   ARG C   3      64.517  65.983  13.367  1.00 16.83           C  
-ATOM   3347  O   ARG C   3      64.726  67.020  13.994  1.00 17.15           O  
-ATOM   3348  CB  ARG C   3      66.293  64.212  13.226  1.00 18.01           C  
-ATOM   3349  CG  ARG C   3      67.286  63.538  14.120  1.00 18.45           C  
-ATOM   3350  CD  ARG C   3      68.310  62.678  13.371  1.00 19.42           C  
-ATOM   3351  NE  ARG C   3      69.116  61.933  14.329  1.00 22.24           N  
-ATOM   3352  CZ  ARG C   3      68.968  60.639  14.600  1.00 25.81           C  
-ATOM   3353  NH1 ARG C   3      68.055  59.884  13.963  1.00 27.44           N  
-ATOM   3354  NH2 ARG C   3      69.758  60.090  15.511  1.00 26.47           N  
-ATOM   3355  N   ALA C   4      63.871  65.939  12.202  1.00 15.65           N  
-ATOM   3356  CA  ALA C   4      63.269  67.098  11.559  1.00 15.45           C  
-ATOM   3357  C   ALA C   4      62.319  67.858  12.483  1.00 15.61           C  
-ATOM   3358  O   ALA C   4      62.377  69.104  12.594  1.00 14.57           O  
-ATOM   3359  CB  ALA C   4      62.547  66.683  10.274  1.00 15.34           C  
-ATOM   3360  N   ASP C   5      61.447  67.120  13.169  1.00 15.43           N  
-ATOM   3361  CA  ASP C   5      60.526  67.760  14.123  1.00 16.21           C  
-ATOM   3362  C   ASP C   5      61.253  68.397  15.307  1.00 15.64           C  
-ATOM   3363  O   ASP C   5      60.987  69.580  15.681  1.00 15.60           O  
-ATOM   3364  CB  ASP C   5      59.526  66.747  14.671  1.00 16.94           C  
-ATOM   3365  CG  ASP C   5      58.634  66.158  13.599  1.00 20.57           C  
-ATOM   3366  OD1 ASP C   5      58.331  66.861  12.608  1.00 23.59           O  
-ATOM   3367  OD2 ASP C   5      58.194  64.975  13.686  1.00 25.27           O  
-ATOM   3368  N   ILE C   6      62.153  67.633  15.930  1.00 14.80           N  
-ATOM   3369  CA  ILE C   6      62.978  68.173  17.009  1.00 14.19           C  
-ATOM   3370  C   ILE C   6      63.668  69.486  16.598  1.00 14.12           C  
-ATOM   3371  O   ILE C   6      63.531  70.487  17.285  1.00 13.28           O  
-ATOM   3372  CB  ILE C   6      64.000  67.144  17.505  1.00 14.37           C  
-ATOM   3373  CG1 ILE C   6      63.303  65.916  18.085  1.00 13.38           C  
-ATOM   3374  CG2 ILE C   6      64.924  67.754  18.613  1.00 13.41           C  
-ATOM   3375  CD1 ILE C   6      64.237  64.724  18.224  1.00 12.72           C  
-ATOM   3376  N   LEU C   7      64.378  69.469  15.471  1.00 14.42           N  
-ATOM   3377  CA  LEU C   7      65.078  70.646  14.982  1.00 15.22           C  
-ATOM   3378  C   LEU C   7      64.161  71.804  14.556  1.00 15.18           C  
-ATOM   3379  O   LEU C   7      64.465  72.982  14.801  1.00 14.50           O  
-ATOM   3380  CB  LEU C   7      66.079  70.280  13.864  1.00 15.89           C  
-ATOM   3381  CG  LEU C   7      67.259  69.453  14.413  1.00 17.28           C  
-ATOM   3382  CD1 LEU C   7      67.836  68.535  13.364  1.00 18.61           C  
-ATOM   3383  CD2 LEU C   7      68.278  70.440  14.954  1.00 18.60           C  
-ATOM   3384  N   TYR C   8      63.031  71.480  13.955  1.00 15.36           N  
-ATOM   3385  CA  TYR C   8      62.036  72.501  13.635  1.00 16.47           C  
-ATOM   3386  C   TYR C   8      61.548  73.178  14.922  1.00 16.25           C  
-ATOM   3387  O   TYR C   8      61.543  74.432  15.043  1.00 15.48           O  
-ATOM   3388  CB  TYR C   8      60.863  71.872  12.898  1.00 17.23           C  
-ATOM   3389  CG  TYR C   8      59.712  72.818  12.578  1.00 20.97           C  
-ATOM   3390  CD1 TYR C   8      59.836  73.803  11.576  1.00 24.41           C  
-ATOM   3391  CD2 TYR C   8      58.512  72.730  13.263  1.00 23.03           C  
-ATOM   3392  CE1 TYR C   8      58.790  74.653  11.263  1.00 26.17           C  
-ATOM   3393  CE2 TYR C   8      57.445  73.579  12.959  1.00 25.64           C  
-ATOM   3394  CZ  TYR C   8      57.586  74.538  11.963  1.00 27.08           C  
-ATOM   3395  OH  TYR C   8      56.518  75.371  11.682  1.00 28.62           O  
-ATOM   3396  N   ASN C   9      61.127  72.349  15.879  1.00 15.79           N  
-ATOM   3397  CA  ASN C   9      60.666  72.892  17.145  1.00 16.32           C  
-ATOM   3398  C   ASN C   9      61.712  73.746  17.851  1.00 15.81           C  
-ATOM   3399  O   ASN C   9      61.374  74.776  18.382  1.00 15.63           O  
-ATOM   3400  CB  ASN C   9      60.085  71.830  18.079  1.00 16.04           C  
-ATOM   3401  CG  ASN C   9      58.821  71.204  17.517  1.00 18.06           C  
-ATOM   3402  OD1 ASN C   9      58.222  71.732  16.584  1.00 19.10           O  
-ATOM   3403  ND2 ASN C   9      58.420  70.055  18.067  1.00 17.71           N  
-ATOM   3404  N   ILE C  10      62.961  73.311  17.851  1.00 15.85           N  
-ATOM   3405  CA  ILE C  10      64.024  74.132  18.435  1.00 16.26           C  
-ATOM   3406  C   ILE C  10      64.169  75.443  17.658  1.00 16.81           C  
-ATOM   3407  O   ILE C  10      64.263  76.505  18.272  1.00 16.35           O  
-ATOM   3408  CB  ILE C  10      65.387  73.368  18.508  1.00 16.27           C  
-ATOM   3409  CG1 ILE C  10      65.349  72.375  19.673  1.00 15.10           C  
-ATOM   3410  CG2 ILE C  10      66.568  74.344  18.716  1.00 15.01           C  
-ATOM   3411  CD1 ILE C  10      66.391  71.241  19.599  1.00 13.26           C  
-ATOM   3412  N   ARG C  11      64.211  75.362  16.330  1.00 16.79           N  
-ATOM   3413  CA  ARG C  11      64.379  76.564  15.502  1.00 20.26           C  
-ATOM   3414  C   ARG C  11      63.217  77.577  15.678  1.00 19.95           C  
-ATOM   3415  O   ARG C  11      63.441  78.798  15.678  1.00 20.28           O  
-ATOM   3416  CB  ARG C  11      64.539  76.210  14.023  1.00 21.43           C  
-ATOM   3417  CG  ARG C  11      64.848  77.397  13.020  1.00 27.63           C  
-ATOM   3418  CD  ARG C  11      65.707  76.906  11.802  1.00 38.97           C  
-ATOM   3419  NE  ARG C  11      65.939  77.869  10.714  1.00 45.88           N  
-ATOM   3420  CZ  ARG C  11      66.420  77.553   9.489  1.00 48.99           C  
-ATOM   3421  NH1 ARG C  11      66.747  76.289   9.165  1.00 49.25           N  
-ATOM   3422  NH2 ARG C  11      66.576  78.519   8.579  1.00 49.06           N  
-ATOM   3423  N   GLN C  12      61.999  77.069  15.841  1.00 19.61           N  
-ATOM   3424  CA  GLN C  12      60.822  77.929  15.857  1.00 19.92           C  
-ATOM   3425  C   GLN C  12      60.658  78.638  17.178  1.00 19.82           C  
-ATOM   3426  O   GLN C  12      60.141  79.728  17.217  1.00 18.40           O  
-ATOM   3427  CB  GLN C  12      59.547  77.168  15.534  1.00 19.47           C  
-ATOM   3428  CG  GLN C  12      59.415  76.808  14.083  1.00 22.92           C  
-ATOM   3429  CD  GLN C  12      59.529  78.034  13.170  1.00 24.90           C  
-ATOM   3430  OE1 GLN C  12      58.750  78.970  13.291  1.00 26.57           O  
-ATOM   3431  NE2 GLN C  12      60.481  78.008  12.254  1.00 25.05           N  
-ATOM   3432  N   THR C  13      61.060  77.994  18.261  1.00 20.97           N  
-ATOM   3433  CA  THR C  13      60.842  78.552  19.588  1.00 21.01           C  
-ATOM   3434  C   THR C  13      62.185  78.950  20.178  1.00 23.00           C  
-ATOM   3435  O   THR C  13      62.276  79.233  21.411  1.00 22.71           O  
-ATOM   3436  CB  THR C  13      60.168  77.519  20.506  1.00 21.25           C  
-ATOM   3437  OG1 THR C  13      60.926  76.295  20.486  1.00 17.71           O  
-ATOM   3438  CG2 THR C  13      58.769  77.145  19.992  1.00 19.13           C  
-ATOM   3439  N   SER C  14      63.227  78.938  19.318  1.00 23.93           N  
-ATOM   3440  CA  SER C  14      64.565  79.412  19.737  1.00 25.37           C  
-ATOM   3441  C   SER C  14      64.468  80.813  20.265  1.00 25.45           C  
-ATOM   3442  O   SER C  14      63.776  81.674  19.663  1.00 26.57           O  
-ATOM   3443  CB  SER C  14      65.671  79.338  18.644  1.00 25.81           C  
-ATOM   3444  OG  SER C  14      65.463  80.174  17.513  1.00 25.25           O  
-ATOM   3445  N   ARG C  15      65.109  81.018  21.417  1.00 24.09           N  
-ATOM   3446  CA  ARG C  15      65.304  82.360  21.959  1.00 23.14           C  
-ATOM   3447  C   ARG C  15      66.815  82.507  22.229  1.00 22.18           C  
-ATOM   3448  O   ARG C  15      67.230  82.484  23.384  1.00 20.93           O  
-ATOM   3449  CB  ARG C  15      64.478  82.541  23.243  1.00 23.14           C  
-ATOM   3450  CG  ARG C  15      62.945  82.596  23.038  1.00 23.64           C  
-ATOM   3451  CD  ARG C  15      62.429  83.716  22.091  1.00 24.96           C  
-ATOM   3452  NE  ARG C  15      62.871  85.037  22.523  1.00 29.21           N  
-ATOM   3453  CZ  ARG C  15      62.216  85.845  23.383  1.00 25.55           C  
-ATOM   3454  NH1 ARG C  15      61.046  85.488  23.907  1.00 23.33           N  
-ATOM   3455  NH2 ARG C  15      62.750  87.010  23.702  1.00 21.56           N  
-ATOM   3456  N   PRO C  16      67.632  82.620  21.168  1.00 21.89           N  
-ATOM   3457  CA  PRO C  16      69.106  82.606  21.318  1.00 21.11           C  
-ATOM   3458  C   PRO C  16      69.673  83.752  22.189  1.00 20.99           C  
-ATOM   3459  O   PRO C  16      70.747  83.604  22.796  1.00 21.31           O  
-ATOM   3460  CB  PRO C  16      69.630  82.698  19.881  1.00 21.02           C  
-ATOM   3461  CG  PRO C  16      68.485  82.987  18.998  1.00 20.30           C  
-ATOM   3462  CD  PRO C  16      67.214  82.778  19.760  1.00 21.40           C  
-ATOM   3463  N   ASP C  17      68.972  84.877  22.212  1.00 19.59           N  
-ATOM   3464  CA  ASP C  17      69.346  86.044  23.032  1.00 19.54           C  
-ATOM   3465  C   ASP C  17      68.949  85.928  24.507  1.00 18.46           C  
-ATOM   3466  O   ASP C  17      69.339  86.758  25.279  1.00 18.82           O  
-ATOM   3467  CB  ASP C  17      68.741  87.329  22.442  1.00 19.45           C  
-ATOM   3468  CG  ASP C  17      69.173  87.579  20.983  1.00 20.97           C  
-ATOM   3469  OD1 ASP C  17      70.350  87.342  20.620  1.00 25.43           O  
-ATOM   3470  OD2 ASP C  17      68.387  88.018  20.107  1.00 27.16           O  
-ATOM   3471  N   VAL C  18      68.235  84.864  24.912  1.00 17.51           N  
-ATOM   3472  CA  VAL C  18      67.717  84.751  26.280  1.00 17.13           C  
-ATOM   3473  C   VAL C  18      68.471  83.706  27.119  1.00 17.29           C  
-ATOM   3474  O   VAL C  18      68.467  82.493  26.793  1.00 16.32           O  
-ATOM   3475  CB  VAL C  18      66.184  84.429  26.298  1.00 17.36           C  
-ATOM   3476  CG1 VAL C  18      65.678  84.406  27.738  1.00 16.86           C  
-ATOM   3477  CG2 VAL C  18      65.405  85.494  25.491  1.00 15.70           C  
-ATOM   3478  N   ILE C  19      69.137  84.180  28.169  1.00 16.88           N  
-ATOM   3479  CA  ILE C  19      69.865  83.301  29.057  1.00 17.84           C  
-ATOM   3480  C   ILE C  19      68.891  82.351  29.757  1.00 18.75           C  
-ATOM   3481  O   ILE C  19      67.906  82.796  30.326  1.00 18.80           O  
-ATOM   3482  CB  ILE C  19      70.760  84.096  30.043  1.00 17.66           C  
-ATOM   3483  CG1 ILE C  19      71.577  83.145  30.931  1.00 17.19           C  
-ATOM   3484  CG2 ILE C  19      69.954  85.124  30.842  1.00 16.80           C  
-ATOM   3485  CD1 ILE C  19      72.659  83.847  31.814  1.00 15.90           C  
-ATOM   3486  N   PRO C  20      69.127  81.044  29.678  1.00 19.74           N  
-ATOM   3487  CA  PRO C  20      68.153  80.057  30.173  1.00 21.20           C  
-ATOM   3488  C   PRO C  20      68.185  79.895  31.695  1.00 22.73           C  
-ATOM   3489  O   PRO C  20      68.367  78.799  32.217  1.00 22.81           O  
-ATOM   3490  CB  PRO C  20      68.605  78.771  29.474  1.00 20.96           C  
-ATOM   3491  CG  PRO C  20      70.083  78.913  29.352  1.00 20.36           C  
-ATOM   3492  CD  PRO C  20      70.310  80.385  29.089  1.00 20.30           C  
-ATOM   3493  N   THR C  21      68.038  81.015  32.382  1.00 24.69           N  
-ATOM   3494  CA  THR C  21      67.975  81.101  33.825  1.00 27.29           C  
-ATOM   3495  C   THR C  21      66.708  80.351  34.328  1.00 28.60           C  
-ATOM   3496  O   THR C  21      65.625  80.505  33.757  1.00 28.94           O  
-ATOM   3497  CB  THR C  21      68.007  82.618  34.183  1.00 27.01           C  
-ATOM   3498  OG1 THR C  21      69.310  82.947  34.691  1.00 28.67           O  
-ATOM   3499  CG2 THR C  21      67.092  82.951  35.304  1.00 28.82           C  
-ATOM   3500  N   GLN C  22      66.861  79.501  35.348  1.00 29.56           N  
-ATOM   3501  CA  GLN C  22      65.745  78.723  35.903  1.00 31.60           C  
-ATOM   3502  C   GLN C  22      65.764  78.780  37.444  1.00 32.58           C  
-ATOM   3503  O   GLN C  22      66.783  78.484  38.075  1.00 32.38           O  
-ATOM   3504  CB  GLN C  22      65.759  77.272  35.370  1.00 31.84           C  
-ATOM   3505  CG  GLN C  22      64.702  76.328  35.991  1.00 33.44           C  
-ATOM   3506  CD  GLN C  22      63.998  75.383  34.983  1.00 34.21           C  
-ATOM   3507  OE1 GLN C  22      64.195  75.509  33.784  1.00 34.44           O  
-ATOM   3508  NE2 GLN C  22      63.176  74.438  35.490  1.00 34.73           N  
-ATOM   3509  N   ARG C  23      64.623  79.183  38.015  1.00 33.99           N  
-ATOM   3510  CA  ARG C  23      64.398  79.399  39.465  1.00 35.08           C  
-ATOM   3511  C   ARG C  23      65.350  80.426  40.091  1.00 34.97           C  
-ATOM   3512  O   ARG C  23      65.755  80.274  41.254  1.00 35.12           O  
-ATOM   3513  CB  ARG C  23      64.390  78.089  40.315  1.00 36.00           C  
-ATOM   3514  CG  ARG C  23      64.000  76.784  39.617  1.00 37.70           C  
-ATOM   3515  CD  ARG C  23      63.085  75.859  40.469  1.00 42.46           C  
-ATOM   3516  NE  ARG C  23      61.653  76.186  40.356  1.00 44.02           N  
-ATOM   3517  CZ  ARG C  23      60.932  76.161  39.226  1.00 43.51           C  
-ATOM   3518  NH1 ARG C  23      61.479  75.810  38.052  1.00 42.54           N  
-ATOM   3519  NH2 ARG C  23      59.652  76.502  39.280  1.00 42.97           N  
-ATOM   3520  N   ASP C  24      65.675  81.468  39.317  1.00 34.33           N  
-ATOM   3521  CA  ASP C  24      66.525  82.583  39.748  1.00 33.49           C  
-ATOM   3522  C   ASP C  24      67.948  82.137  40.147  1.00 32.24           C  
-ATOM   3523  O   ASP C  24      68.665  82.865  40.832  1.00 32.33           O  
-ATOM   3524  CB  ASP C  24      65.833  83.446  40.844  1.00 33.92           C  
-ATOM   3525  CG  ASP C  24      66.261  84.941  40.801  1.00 35.73           C  
-ATOM   3526  OD1 ASP C  24      66.628  85.431  39.695  1.00 36.34           O  
-ATOM   3527  OD2 ASP C  24      66.275  85.700  41.823  1.00 36.01           O  
-ATOM   3528  N   ARG C  25      68.339  80.944  39.699  1.00 30.21           N  
-ATOM   3529  CA  ARG C  25      69.677  80.405  39.916  1.00 28.21           C  
-ATOM   3530  C   ARG C  25      70.517  80.702  38.680  1.00 25.72           C  
-ATOM   3531  O   ARG C  25      69.982  80.711  37.573  1.00 25.98           O  
-ATOM   3532  CB  ARG C  25      69.626  78.890  40.154  1.00 28.59           C  
-ATOM   3533  CG  ARG C  25      68.900  78.453  41.453  1.00 31.89           C  
-ATOM   3534  CD  ARG C  25      67.749  77.442  41.207  1.00 37.00           C  
-ATOM   3535  NE  ARG C  25      67.519  76.452  42.281  1.00 40.72           N  
-ATOM   3536  CZ  ARG C  25      67.937  75.176  42.248  1.00 41.03           C  
-ATOM   3537  NH1 ARG C  25      68.636  74.719  41.208  1.00 41.38           N  
-ATOM   3538  NH2 ARG C  25      67.665  74.358  43.261  1.00 40.68           N  
-ATOM   3539  N   PRO C  26      71.816  80.959  38.862  1.00 22.69           N  
-ATOM   3540  CA  PRO C  26      72.716  81.197  37.737  1.00 21.02           C  
-ATOM   3541  C   PRO C  26      72.740  79.975  36.797  1.00 19.85           C  
-ATOM   3542  O   PRO C  26      72.525  78.858  37.260  1.00 18.97           O  
-ATOM   3543  CB  PRO C  26      74.082  81.405  38.411  1.00 20.96           C  
-ATOM   3544  CG  PRO C  26      73.937  80.873  39.788  1.00 21.32           C  
-ATOM   3545  CD  PRO C  26      72.512  81.030  40.163  1.00 22.21           C  
-ATOM   3546  N   VAL C  27      72.955  80.200  35.496  1.00 18.24           N  
-ATOM   3547  CA  VAL C  27      73.248  79.097  34.573  1.00 17.43           C  
-ATOM   3548  C   VAL C  27      74.648  78.583  34.880  1.00 16.98           C  
-ATOM   3549  O   VAL C  27      75.631  79.340  34.827  1.00 16.28           O  
-ATOM   3550  CB  VAL C  27      73.135  79.524  33.084  1.00 17.44           C  
-ATOM   3551  CG1 VAL C  27      73.548  78.390  32.142  1.00 17.32           C  
-ATOM   3552  CG2 VAL C  27      71.726  79.940  32.774  1.00 17.27           C  
-ATOM   3553  N   ALA C  28      74.720  77.300  35.240  1.00 16.42           N  
-ATOM   3554  CA  ALA C  28      75.985  76.655  35.548  1.00 15.83           C  
-ATOM   3555  C   ALA C  28      76.683  76.228  34.250  1.00 15.60           C  
-ATOM   3556  O   ALA C  28      76.248  75.318  33.569  1.00 15.22           O  
-ATOM   3557  CB  ALA C  28      75.772  75.461  36.502  1.00 15.13           C  
-ATOM   3558  N   VAL C  29      77.776  76.900  33.920  1.00 15.48           N  
-ATOM   3559  CA  VAL C  29      78.523  76.601  32.727  1.00 15.92           C  
-ATOM   3560  C   VAL C  29      79.843  75.902  33.105  1.00 16.82           C  
-ATOM   3561  O   VAL C  29      80.561  76.350  33.972  1.00 17.09           O  
-ATOM   3562  CB  VAL C  29      78.805  77.903  31.903  1.00 15.74           C  
-ATOM   3563  CG1 VAL C  29      79.603  77.599  30.665  1.00 14.66           C  
-ATOM   3564  CG2 VAL C  29      77.500  78.610  31.535  1.00 14.90           C  
-ATOM   3565  N   SER C  30      80.135  74.773  32.469  1.00 18.00           N  
-ATOM   3566  CA  SER C  30      81.409  74.087  32.636  1.00 18.71           C  
-ATOM   3567  C   SER C  30      82.240  74.377  31.430  1.00 19.14           C  
-ATOM   3568  O   SER C  30      81.745  74.304  30.304  1.00 18.93           O  
-ATOM   3569  CB  SER C  30      81.218  72.589  32.722  1.00 18.30           C  
-ATOM   3570  OG  SER C  30      80.501  72.256  33.888  1.00 21.64           O  
-ATOM   3571  N   VAL C  31      83.505  74.703  31.666  1.00 19.84           N  
-ATOM   3572  CA  VAL C  31      84.455  74.934  30.586  1.00 20.79           C  
-ATOM   3573  C   VAL C  31      85.712  74.143  30.892  1.00 21.19           C  
-ATOM   3574  O   VAL C  31      86.110  73.985  32.041  1.00 21.22           O  
-ATOM   3575  CB  VAL C  31      84.914  76.399  30.471  1.00 21.23           C  
-ATOM   3576  CG1 VAL C  31      85.418  76.689  29.041  1.00 21.03           C  
-ATOM   3577  CG2 VAL C  31      83.821  77.352  30.856  1.00 22.20           C  
-ATOM   3578  N   SER C  32      86.384  73.742  29.833  1.00 21.52           N  
-ATOM   3579  CA  SER C  32      87.594  72.964  29.941  1.00 22.68           C  
-ATOM   3580  C   SER C  32      88.256  73.127  28.591  1.00 22.41           C  
-ATOM   3581  O   SER C  32      87.573  73.032  27.563  1.00 22.19           O  
-ATOM   3582  CB  SER C  32      87.209  71.514  30.200  1.00 22.38           C  
-ATOM   3583  OG  SER C  32      88.313  70.668  30.029  1.00 27.48           O  
-ATOM   3584  N   LEU C  33      89.555  73.422  28.592  1.00 21.95           N  
-ATOM   3585  CA  LEU C  33      90.304  73.579  27.334  1.00 21.41           C  
-ATOM   3586  C   LEU C  33      91.122  72.336  27.081  1.00 21.35           C  
-ATOM   3587  O   LEU C  33      91.828  71.872  27.970  1.00 21.28           O  
-ATOM   3588  CB  LEU C  33      91.225  74.808  27.394  1.00 21.02           C  
-ATOM   3589  CG  LEU C  33      90.627  76.171  27.751  1.00 21.26           C  
-ATOM   3590  CD1 LEU C  33      91.613  77.329  27.491  1.00 19.13           C  
-ATOM   3591  CD2 LEU C  33      89.298  76.463  27.122  1.00 20.13           C  
-ATOM   3592  N   LYS C  34      90.990  71.759  25.891  1.00 20.78           N  
-ATOM   3593  CA  LYS C  34      91.799  70.593  25.538  1.00 20.19           C  
-ATOM   3594  C   LYS C  34      92.820  71.084  24.529  1.00 19.28           C  
-ATOM   3595  O   LYS C  34      92.488  71.389  23.390  1.00 19.04           O  
-ATOM   3596  CB  LYS C  34      90.959  69.459  24.933  1.00 21.07           C  
-ATOM   3597  CG  LYS C  34      89.655  69.154  25.672  1.00 23.48           C  
-ATOM   3598  CD  LYS C  34      89.890  68.261  26.878  1.00 27.32           C  
-ATOM   3599  CE  LYS C  34      88.655  68.262  27.772  1.00 30.66           C  
-ATOM   3600  NZ  LYS C  34      88.889  67.569  29.110  1.00 33.78           N  
-ATOM   3601  N   PHE C  35      94.066  71.179  24.959  1.00 18.01           N  
-ATOM   3602  CA  PHE C  35      95.125  71.700  24.124  1.00 17.17           C  
-ATOM   3603  C   PHE C  35      95.515  70.720  23.040  1.00 16.65           C  
-ATOM   3604  O   PHE C  35      95.669  69.536  23.315  1.00 15.88           O  
-ATOM   3605  CB  PHE C  35      96.290  72.128  24.996  1.00 17.12           C  
-ATOM   3606  CG  PHE C  35      95.943  73.297  25.865  1.00 17.37           C  
-ATOM   3607  CD1 PHE C  35      95.919  74.571  25.333  1.00 17.60           C  
-ATOM   3608  CD2 PHE C  35      95.572  73.106  27.199  1.00 18.16           C  
-ATOM   3609  CE1 PHE C  35      95.572  75.678  26.118  1.00 18.96           C  
-ATOM   3610  CE2 PHE C  35      95.209  74.209  28.002  1.00 17.99           C  
-ATOM   3611  CZ  PHE C  35      95.213  75.499  27.456  1.00 18.03           C  
-ATOM   3612  N   ILE C  36      95.559  71.224  21.796  1.00 15.88           N  
-ATOM   3613  CA  ILE C  36      95.849  70.412  20.621  1.00 15.76           C  
-ATOM   3614  C   ILE C  36      97.220  70.779  20.076  1.00 16.20           C  
-ATOM   3615  O   ILE C  36      97.993  69.914  19.622  1.00 15.56           O  
-ATOM   3616  CB  ILE C  36      94.763  70.560  19.550  1.00 15.67           C  
-ATOM   3617  CG1 ILE C  36      93.349  70.424  20.134  1.00 15.26           C  
-ATOM   3618  CG2 ILE C  36      94.982  69.626  18.376  1.00 14.77           C  
-ATOM   3619  CD1 ILE C  36      93.035  69.164  20.871  1.00 13.19           C  
-ATOM   3620  N   ASN C  37      97.543  72.061  20.147  1.00 16.73           N  
-ATOM   3621  CA  ASN C  37      98.788  72.534  19.580  1.00 18.05           C  
-ATOM   3622  C   ASN C  37      99.195  73.872  20.110  1.00 18.53           C  
-ATOM   3623  O   ASN C  37      98.355  74.717  20.423  1.00 18.73           O  
-ATOM   3624  CB  ASN C  37      98.734  72.581  18.050  1.00 17.37           C  
-ATOM   3625  CG  ASN C  37      99.953  71.933  17.411  1.00 19.58           C  
-ATOM   3626  OD1 ASN C  37     101.138  72.183  17.812  1.00 18.93           O  
-ATOM   3627  ND2 ASN C  37      99.685  71.095  16.425  1.00 15.70           N  
-ATOM   3628  N   ILE C  38     100.506  74.036  20.241  1.00 19.22           N  
-ATOM   3629  CA  ILE C  38     101.108  75.327  20.513  1.00 19.41           C  
-ATOM   3630  C   ILE C  38     101.937  75.648  19.274  1.00 19.97           C  
-ATOM   3631  O   ILE C  38     102.914  74.974  18.984  1.00 20.05           O  
-ATOM   3632  CB  ILE C  38     101.956  75.248  21.794  1.00 19.49           C  
-ATOM   3633  CG1 ILE C  38     101.069  74.915  22.987  1.00 19.31           C  
-ATOM   3634  CG2 ILE C  38     102.631  76.581  22.044  1.00 19.17           C  
-ATOM   3635  CD1 ILE C  38     101.741  74.156  24.086  1.00 19.48           C  
-ATOM   3636  N   LEU C  39     101.524  76.666  18.534  1.00 20.76           N  
-ATOM   3637  CA  LEU C  39     102.091  76.917  17.217  1.00 21.68           C  
-ATOM   3638  C   LEU C  39     103.239  77.913  17.222  1.00 22.38           C  
-ATOM   3639  O   LEU C  39     104.119  77.858  16.365  1.00 23.11           O  
-ATOM   3640  CB  LEU C  39     100.988  77.438  16.304  1.00 21.70           C  
-ATOM   3641  CG  LEU C  39      99.784  76.485  16.253  1.00 23.09           C  
-ATOM   3642  CD1 LEU C  39      98.635  77.117  15.598  1.00 23.63           C  
-ATOM   3643  CD2 LEU C  39     100.185  75.168  15.549  1.00 23.14           C  
-ATOM   3644  N   GLU C  40     103.195  78.867  18.141  1.00 22.58           N  
-ATOM   3645  CA  GLU C  40     104.221  79.901  18.189  1.00 23.06           C  
-ATOM   3646  C   GLU C  40     104.279  80.427  19.609  1.00 22.10           C  
-ATOM   3647  O   GLU C  40     103.253  80.554  20.271  1.00 22.16           O  
-ATOM   3648  CB  GLU C  40     103.918  81.025  17.198  1.00 23.21           C  
-ATOM   3649  CG  GLU C  40     104.997  82.094  17.138  1.00 27.40           C  
-ATOM   3650  CD  GLU C  40     104.672  83.214  16.168  1.00 32.23           C  
-ATOM   3651  OE1 GLU C  40     103.487  83.628  16.074  1.00 33.43           O  
-ATOM   3652  OE2 GLU C  40     105.612  83.669  15.494  1.00 33.91           O  
-ATOM   3653  N   VAL C  41     105.492  80.734  20.043  1.00 21.15           N  
-ATOM   3654  CA  VAL C  41     105.782  81.192  21.380  1.00 20.51           C  
-ATOM   3655  C   VAL C  41     106.852  82.265  21.222  1.00 20.35           C  
-ATOM   3656  O   VAL C  41     107.772  82.128  20.425  1.00 19.71           O  
-ATOM   3657  CB  VAL C  41     106.246  79.983  22.259  1.00 20.95           C  
-ATOM   3658  CG1 VAL C  41     107.264  80.354  23.289  1.00 20.91           C  
-ATOM   3659  CG2 VAL C  41     105.047  79.275  22.914  1.00 20.27           C  
-ATOM   3660  N   ASN C  42     106.721  83.351  21.969  1.00 20.35           N  
-ATOM   3661  CA  ASN C  42     107.690  84.437  21.908  1.00 20.43           C  
-ATOM   3662  C   ASN C  42     108.036  84.843  23.314  1.00 20.70           C  
-ATOM   3663  O   ASN C  42     107.218  85.420  24.029  1.00 20.58           O  
-ATOM   3664  CB  ASN C  42     107.138  85.622  21.112  1.00 20.31           C  
-ATOM   3665  CG  ASN C  42     108.226  86.671  20.748  1.00 20.71           C  
-ATOM   3666  OD1 ASN C  42     109.114  87.009  21.550  1.00 20.92           O  
-ATOM   3667  ND2 ASN C  42     108.142  87.182  19.527  1.00 19.28           N  
-ATOM   3668  N   GLU C  43     109.253  84.520  23.727  1.00 21.34           N  
-ATOM   3669  CA  GLU C  43     109.668  84.755  25.093  1.00 21.88           C  
-ATOM   3670  C   GLU C  43     109.985  86.239  25.334  1.00 21.94           C  
-ATOM   3671  O   GLU C  43     109.930  86.706  26.480  1.00 21.58           O  
-ATOM   3672  CB  GLU C  43     110.851  83.851  25.463  1.00 22.36           C  
-ATOM   3673  CG  GLU C  43     110.865  83.422  26.930  1.00 24.34           C  
-ATOM   3674  CD  GLU C  43     112.077  82.584  27.323  1.00 27.45           C  
-ATOM   3675  OE1 GLU C  43     112.592  81.797  26.473  1.00 28.95           O  
-ATOM   3676  OE2 GLU C  43     112.511  82.704  28.498  1.00 27.65           O  
-ATOM   3677  N   ILE C  44     110.299  86.973  24.261  1.00 21.90           N  
-ATOM   3678  CA  ILE C  44     110.532  88.414  24.363  1.00 21.88           C  
-ATOM   3679  C   ILE C  44     109.202  89.149  24.590  1.00 21.58           C  
-ATOM   3680  O   ILE C  44     109.095  89.953  25.517  1.00 21.51           O  
-ATOM   3681  CB  ILE C  44     111.274  88.971  23.101  1.00 22.44           C  
-ATOM   3682  CG1 ILE C  44     112.572  88.189  22.804  1.00 22.82           C  
-ATOM   3683  CG2 ILE C  44     111.542  90.509  23.220  1.00 22.45           C  
-ATOM   3684  CD1 ILE C  44     113.577  88.173  23.932  1.00 24.15           C  
-ATOM   3685  N   THR C  45     108.189  88.843  23.772  1.00 20.88           N  
-ATOM   3686  CA  THR C  45     106.925  89.575  23.847  1.00 20.51           C  
-ATOM   3687  C   THR C  45     105.938  88.964  24.835  1.00 19.89           C  
-ATOM   3688  O   THR C  45     104.961  89.610  25.181  1.00 19.77           O  
-ATOM   3689  CB  THR C  45     106.257  89.753  22.468  1.00 20.25           C  
-ATOM   3690  OG1 THR C  45     105.971  88.481  21.927  1.00 20.69           O  
-ATOM   3691  CG2 THR C  45     107.220  90.347  21.441  1.00 20.24           C  
-ATOM   3692  N   ASN C  46     106.229  87.756  25.320  1.00 19.23           N  
-ATOM   3693  CA  ASN C  46     105.313  87.035  26.203  1.00 18.57           C  
-ATOM   3694  C   ASN C  46     103.967  86.780  25.527  1.00 18.50           C  
-ATOM   3695  O   ASN C  46     102.920  87.092  26.065  1.00 18.13           O  
-ATOM   3696  CB  ASN C  46     105.117  87.749  27.552  1.00 18.08           C  
-ATOM   3697  CG  ASN C  46     106.106  87.290  28.614  1.00 18.15           C  
-ATOM   3698  OD1 ASN C  46     106.529  86.111  28.654  1.00 17.13           O  
-ATOM   3699  ND2 ASN C  46     106.475  88.216  29.492  1.00 15.24           N  
-ATOM   3700  N   GLU C  47     104.024  86.218  24.327  1.00 18.89           N  
-ATOM   3701  CA  GLU C  47     102.835  85.896  23.555  1.00 19.24           C  
-ATOM   3702  C   GLU C  47     102.913  84.444  23.108  1.00 19.22           C  
-ATOM   3703  O   GLU C  47     103.990  83.916  22.889  1.00 18.96           O  
-ATOM   3704  CB  GLU C  47     102.715  86.840  22.358  1.00 19.32           C  
-ATOM   3705  CG  GLU C  47     102.437  88.303  22.765  1.00 21.61           C  
-ATOM   3706  CD  GLU C  47     102.518  89.294  21.610  1.00 25.84           C  
-ATOM   3707  OE1 GLU C  47     102.366  88.876  20.433  1.00 28.08           O  
-ATOM   3708  OE2 GLU C  47     102.723  90.504  21.887  1.00 28.04           O  
-ATOM   3709  N   VAL C  48     101.759  83.809  23.002  1.00 19.27           N  
-ATOM   3710  CA  VAL C  48     101.658  82.434  22.534  1.00 19.86           C  
-ATOM   3711  C   VAL C  48     100.454  82.280  21.617  1.00 19.97           C  
-ATOM   3712  O   VAL C  48      99.402  82.871  21.832  1.00 19.72           O  
-ATOM   3713  CB  VAL C  48     101.569  81.394  23.718  1.00 19.80           C  
-ATOM   3714  CG1 VAL C  48     102.743  81.486  24.633  1.00 20.39           C  
-ATOM   3715  CG2 VAL C  48     100.299  81.540  24.513  1.00 20.44           C  
-ATOM   3716  N   ASP C  49     100.619  81.455  20.596  1.00 20.50           N  
-ATOM   3717  CA  ASP C  49      99.586  81.148  19.603  1.00 21.26           C  
-ATOM   3718  C   ASP C  49      99.209  79.659  19.829  1.00 20.71           C  
-ATOM   3719  O   ASP C  49     100.082  78.799  19.794  1.00 19.99           O  
-ATOM   3720  CB  ASP C  49     100.203  81.346  18.208  1.00 22.06           C  
-ATOM   3721  CG  ASP C  49      99.170  81.440  17.097  1.00 24.91           C  
-ATOM   3722  OD1 ASP C  49      97.986  81.077  17.315  1.00 28.24           O  
-ATOM   3723  OD2 ASP C  49      99.470  81.885  15.945  1.00 28.70           O  
-ATOM   3724  N   VAL C  50      97.933  79.385  20.128  1.00 20.36           N  
-ATOM   3725  CA  VAL C  50      97.497  78.064  20.614  1.00 20.13           C  
-ATOM   3726  C   VAL C  50      96.218  77.604  19.929  1.00 19.12           C  
-ATOM   3727  O   VAL C  50      95.384  78.414  19.591  1.00 18.59           O  
-ATOM   3728  CB  VAL C  50      97.248  78.056  22.159  1.00 20.45           C  
-ATOM   3729  CG1 VAL C  50      96.771  76.657  22.637  1.00 22.39           C  
-ATOM   3730  CG2 VAL C  50      98.485  78.424  22.900  1.00 21.90           C  
-ATOM   3731  N   VAL C  51      96.067  76.283  19.778  1.00 18.16           N  
-ATOM   3732  CA  VAL C  51      94.843  75.633  19.269  1.00 16.89           C  
-ATOM   3733  C   VAL C  51      94.330  74.685  20.363  1.00 16.59           C  
-ATOM   3734  O   VAL C  51      95.093  73.827  20.862  1.00 15.66           O  
-ATOM   3735  CB  VAL C  51      95.098  74.789  18.002  1.00 17.25           C  
-ATOM   3736  CG1 VAL C  51      93.804  74.150  17.506  1.00 16.93           C  
-ATOM   3737  CG2 VAL C  51      95.708  75.599  16.907  1.00 16.67           C  
-ATOM   3738  N   PHE C  52      93.046  74.849  20.716  1.00 15.00           N  
-ATOM   3739  CA  PHE C  52      92.419  74.127  21.793  1.00 15.30           C  
-ATOM   3740  C   PHE C  52      90.948  73.895  21.453  1.00 16.16           C  
-ATOM   3741  O   PHE C  52      90.325  74.712  20.741  1.00 15.89           O  
-ATOM   3742  CB  PHE C  52      92.547  74.880  23.156  1.00 16.09           C  
-ATOM   3743  CG  PHE C  52      92.041  76.318  23.113  1.00 13.96           C  
-ATOM   3744  CD1 PHE C  52      92.894  77.372  22.763  1.00 13.11           C  
-ATOM   3745  CD2 PHE C  52      90.716  76.592  23.381  1.00 12.72           C  
-ATOM   3746  CE1 PHE C  52      92.401  78.731  22.713  1.00 13.97           C  
-ATOM   3747  CE2 PHE C  52      90.201  77.904  23.339  1.00 11.78           C  
-ATOM   3748  CZ  PHE C  52      91.033  78.975  23.001  1.00 11.87           C  
-ATOM   3749  N   TRP C  53      90.409  72.779  21.974  1.00 15.93           N  
-ATOM   3750  CA  TRP C  53      88.988  72.497  21.942  1.00 16.72           C  
-ATOM   3751  C   TRP C  53      88.406  73.062  23.197  1.00 17.50           C  
-ATOM   3752  O   TRP C  53      88.789  72.655  24.296  1.00 17.64           O  
-ATOM   3753  CB  TRP C  53      88.715  70.970  21.896  1.00 15.88           C  
-ATOM   3754  CG  TRP C  53      89.293  70.299  20.684  1.00 15.80           C  
-ATOM   3755  CD1 TRP C  53      89.779  70.900  19.542  1.00 15.80           C  
-ATOM   3756  CD2 TRP C  53      89.457  68.895  20.500  1.00 15.60           C  
-ATOM   3757  NE1 TRP C  53      90.237  69.943  18.662  1.00 16.73           N  
-ATOM   3758  CE2 TRP C  53      90.041  68.699  19.225  1.00 16.89           C  
-ATOM   3759  CE3 TRP C  53      89.156  67.771  21.286  1.00 17.89           C  
-ATOM   3760  CZ2 TRP C  53      90.346  67.420  18.720  1.00 18.19           C  
-ATOM   3761  CZ3 TRP C  53      89.455  66.481  20.770  1.00 19.37           C  
-ATOM   3762  CH2 TRP C  53      90.053  66.333  19.498  1.00 18.72           C  
-ATOM   3763  N   GLN C  54      87.502  74.016  23.054  1.00 18.27           N  
-ATOM   3764  CA  GLN C  54      86.915  74.684  24.216  1.00 19.30           C  
-ATOM   3765  C   GLN C  54      85.631  73.959  24.592  1.00 18.91           C  
-ATOM   3766  O   GLN C  54      84.539  74.337  24.120  1.00 18.63           O  
-ATOM   3767  CB  GLN C  54      86.645  76.171  23.900  1.00 19.29           C  
-ATOM   3768  CG  GLN C  54      86.067  76.984  25.103  1.00 22.43           C  
-ATOM   3769  CD  GLN C  54      86.129  78.518  24.864  1.00 27.76           C  
-ATOM   3770  OE1 GLN C  54      87.205  79.104  24.702  1.00 29.24           O  
-ATOM   3771  NE2 GLN C  54      84.981  79.144  24.801  1.00 29.09           N  
-ATOM   3772  N   GLN C  55      85.769  72.896  25.403  1.00 19.05           N  
-ATOM   3773  CA  GLN C  55      84.651  72.073  25.800  1.00 19.26           C  
-ATOM   3774  C   GLN C  55      83.753  72.857  26.736  1.00 19.50           C  
-ATOM   3775  O   GLN C  55      84.137  73.107  27.877  1.00 19.23           O  
-ATOM   3776  CB  GLN C  55      85.119  70.788  26.498  1.00 19.31           C  
-ATOM   3777  CG  GLN C  55      83.960  69.907  26.928  1.00 21.80           C  
-ATOM   3778  CD  GLN C  55      84.372  68.578  27.606  1.00 26.35           C  
-ATOM   3779  OE1 GLN C  55      85.507  68.084  27.453  1.00 28.27           O  
-ATOM   3780  NE2 GLN C  55      83.442  68.002  28.331  1.00 26.73           N  
-ATOM   3781  N   THR C  56      82.536  73.146  26.278  1.00 19.14           N  
-ATOM   3782  CA  THR C  56      81.580  73.961  26.993  1.00 19.54           C  
-ATOM   3783  C   THR C  56      80.223  73.319  27.127  1.00 19.47           C  
-ATOM   3784  O   THR C  56      79.613  72.919  26.136  1.00 19.30           O  
-ATOM   3785  CB  THR C  56      81.397  75.274  26.219  1.00 19.93           C  
-ATOM   3786  OG1 THR C  56      82.673  75.660  25.731  1.00 21.90           O  
-ATOM   3787  CG2 THR C  56      81.037  76.362  27.153  1.00 19.91           C  
-ATOM   3788  N   THR C  57      79.706  73.344  28.344  1.00 18.98           N  
-ATOM   3789  CA  THR C  57      78.611  72.516  28.743  1.00 19.13           C  
-ATOM   3790  C   THR C  57      77.686  73.337  29.626  1.00 18.61           C  
-ATOM   3791  O   THR C  57      78.173  74.156  30.445  1.00 18.07           O  
-ATOM   3792  CB  THR C  57      79.234  71.322  29.477  1.00 19.77           C  
-ATOM   3793  OG1 THR C  57      79.097  70.138  28.658  1.00 22.23           O  
-ATOM   3794  CG2 THR C  57      78.503  70.976  30.714  1.00 21.40           C  
-ATOM   3795  N   TRP C  58      76.365  73.156  29.439  1.00 17.45           N  
-ATOM   3796  CA  TRP C  58      75.351  73.871  30.239  1.00 17.19           C  
-ATOM   3797  C   TRP C  58      73.982  73.271  29.953  1.00 17.09           C  
-ATOM   3798  O   TRP C  58      73.782  72.529  29.006  1.00 16.97           O  
-ATOM   3799  CB  TRP C  58      75.349  75.414  29.962  1.00 16.27           C  
-ATOM   3800  CG  TRP C  58      74.804  75.781  28.607  1.00 16.08           C  
-ATOM   3801  CD1 TRP C  58      73.524  76.118  28.302  1.00 16.13           C  
-ATOM   3802  CD2 TRP C  58      75.529  75.834  27.367  1.00 15.29           C  
-ATOM   3803  NE1 TRP C  58      73.394  76.370  26.953  1.00 15.42           N  
-ATOM   3804  CE2 TRP C  58      74.612  76.189  26.353  1.00 13.80           C  
-ATOM   3805  CE3 TRP C  58      76.873  75.601  27.004  1.00 14.20           C  
-ATOM   3806  CZ2 TRP C  58      74.978  76.302  25.017  1.00 13.77           C  
-ATOM   3807  CZ3 TRP C  58      77.222  75.708  25.677  1.00 14.05           C  
-ATOM   3808  CH2 TRP C  58      76.276  76.046  24.699  1.00 14.86           C  
-ATOM   3809  N   SER C  59      73.016  73.682  30.739  1.00 17.56           N  
-ATOM   3810  CA  SER C  59      71.679  73.171  30.620  1.00 18.74           C  
-ATOM   3811  C   SER C  59      70.672  74.245  30.207  1.00 18.67           C  
-ATOM   3812  O   SER C  59      70.626  75.334  30.795  1.00 18.54           O  
-ATOM   3813  CB  SER C  59      71.278  72.550  31.947  1.00 18.67           C  
-ATOM   3814  OG  SER C  59      69.879  72.623  32.083  1.00 22.47           O  
-ATOM   3815  N   ASP C  60      69.854  73.918  29.211  1.00 19.02           N  
-ATOM   3816  CA  ASP C  60      68.782  74.808  28.757  1.00 19.62           C  
-ATOM   3817  C   ASP C  60      67.490  74.010  28.636  1.00 19.38           C  
-ATOM   3818  O   ASP C  60      67.236  73.336  27.638  1.00 18.58           O  
-ATOM   3819  CB  ASP C  60      69.137  75.469  27.418  1.00 19.50           C  
-ATOM   3820  CG  ASP C  60      68.121  76.541  26.981  1.00 22.06           C  
-ATOM   3821  OD1 ASP C  60      66.962  76.579  27.495  1.00 21.35           O  
-ATOM   3822  OD2 ASP C  60      68.402  77.390  26.091  1.00 23.87           O  
-ATOM   3823  N   ARG C  61      66.683  74.094  29.673  1.00 19.43           N  
-ATOM   3824  CA  ARG C  61      65.465  73.322  29.772  1.00 20.40           C  
-ATOM   3825  C   ARG C  61      64.407  73.675  28.739  1.00 19.85           C  
-ATOM   3826  O   ARG C  61      63.596  72.794  28.390  1.00 18.92           O  
-ATOM   3827  CB  ARG C  61      64.900  73.428  31.170  1.00 21.14           C  
-ATOM   3828  CG  ARG C  61      65.924  73.095  32.224  1.00 25.79           C  
-ATOM   3829  CD  ARG C  61      66.089  71.625  32.536  1.00 29.04           C  
-ATOM   3830  NE  ARG C  61      67.318  71.439  33.312  1.00 35.46           N  
-ATOM   3831  CZ  ARG C  61      67.402  71.448  34.655  1.00 36.52           C  
-ATOM   3832  NH1 ARG C  61      66.324  71.608  35.420  1.00 36.77           N  
-ATOM   3833  NH2 ARG C  61      68.584  71.284  35.239  1.00 37.84           N  
-ATOM   3834  N   THR C  62      64.442  74.911  28.209  1.00 20.24           N  
-ATOM   3835  CA  THR C  62      63.540  75.295  27.095  1.00 20.76           C  
-ATOM   3836  C   THR C  62      63.788  74.461  25.817  1.00 20.39           C  
-ATOM   3837  O   THR C  62      62.963  74.482  24.911  1.00 20.84           O  
-ATOM   3838  CB  THR C  62      63.593  76.800  26.758  1.00 20.83           C  
-ATOM   3839  OG1 THR C  62      64.864  77.125  26.204  1.00 22.48           O  
-ATOM   3840  CG2 THR C  62      63.534  77.690  28.036  1.00 21.96           C  
-ATOM   3841  N   LEU C  63      64.908  73.741  25.741  1.00 19.67           N  
-ATOM   3842  CA  LEU C  63      65.247  72.933  24.551  1.00 19.43           C  
-ATOM   3843  C   LEU C  63      64.688  71.508  24.689  1.00 19.26           C  
-ATOM   3844  O   LEU C  63      64.586  70.749  23.732  1.00 19.51           O  
-ATOM   3845  CB  LEU C  63      66.757  72.888  24.361  1.00 18.66           C  
-ATOM   3846  CG  LEU C  63      67.522  74.187  24.110  1.00 20.55           C  
-ATOM   3847  CD1 LEU C  63      69.042  73.904  23.917  1.00 18.83           C  
-ATOM   3848  CD2 LEU C  63      66.989  74.890  22.866  1.00 19.68           C  
-ATOM   3849  N   ALA C  64      64.315  71.162  25.903  1.00 18.96           N  
-ATOM   3850  CA  ALA C  64      63.949  69.786  26.239  1.00 18.62           C  
-ATOM   3851  C   ALA C  64      62.765  69.266  25.443  1.00 18.71           C  
-ATOM   3852  O   ALA C  64      61.839  69.999  25.159  1.00 18.87           O  
-ATOM   3853  CB  ALA C  64      63.656  69.689  27.693  1.00 18.30           C  
-ATOM   3854  N   TRP C  65      62.788  67.983  25.103  1.00 18.64           N  
-ATOM   3855  CA  TRP C  65      61.641  67.350  24.475  1.00 18.40           C  
-ATOM   3856  C   TRP C  65      61.534  65.931  25.050  1.00 19.14           C  
-ATOM   3857  O   TRP C  65      62.524  65.381  25.562  1.00 18.92           O  
-ATOM   3858  CB  TRP C  65      61.795  67.318  22.950  1.00 17.61           C  
-ATOM   3859  CG  TRP C  65      62.908  66.400  22.446  1.00 16.35           C  
-ATOM   3860  CD1 TRP C  65      62.805  65.042  22.119  1.00 14.76           C  
-ATOM   3861  CD2 TRP C  65      64.288  66.749  22.239  1.00 13.69           C  
-ATOM   3862  NE1 TRP C  65      64.026  64.567  21.707  1.00 13.16           N  
-ATOM   3863  CE2 TRP C  65      64.958  65.576  21.776  1.00 12.47           C  
-ATOM   3864  CE3 TRP C  65      65.031  67.924  22.396  1.00 12.27           C  
-ATOM   3865  CZ2 TRP C  65      66.345  65.560  21.450  1.00 11.31           C  
-ATOM   3866  CZ3 TRP C  65      66.426  67.896  22.088  1.00 12.04           C  
-ATOM   3867  CH2 TRP C  65      67.053  66.710  21.618  1.00 11.29           C  
-ATOM   3868  N   ASN C  66      60.329  65.371  24.982  1.00 19.55           N  
-ATOM   3869  CA  ASN C  66      60.079  64.010  25.353  1.00 20.60           C  
-ATOM   3870  C   ASN C  66      60.689  63.056  24.339  1.00 20.63           C  
-ATOM   3871  O   ASN C  66      60.245  63.029  23.186  1.00 20.87           O  
-ATOM   3872  CB  ASN C  66      58.550  63.796  25.482  1.00 21.20           C  
-ATOM   3873  CG  ASN C  66      58.191  62.471  26.136  1.00 22.79           C  
-ATOM   3874  OD1 ASN C  66      58.943  61.497  26.040  1.00 23.19           O  
-ATOM   3875  ND2 ASN C  66      57.008  62.412  26.769  1.00 25.27           N  
-ATOM   3876  N   SER C  67      61.688  62.275  24.768  1.00 21.26           N  
-ATOM   3877  CA  SER C  67      62.353  61.312  23.866  1.00 21.61           C  
-ATOM   3878  C   SER C  67      62.153  59.808  24.151  1.00 22.48           C  
-ATOM   3879  O   SER C  67      63.078  59.031  23.948  1.00 22.40           O  
-ATOM   3880  CB  SER C  67      63.858  61.613  23.747  1.00 22.10           C  
-ATOM   3881  OG  SER C  67      64.528  61.547  24.991  1.00 19.99           O  
-ATOM   3882  N   SER C  68      60.959  59.394  24.582  1.00 23.33           N  
-ATOM   3883  CA  SER C  68      60.707  57.988  24.909  1.00 24.65           C  
-ATOM   3884  C   SER C  68      60.601  57.123  23.640  1.00 24.47           C  
-ATOM   3885  O   SER C  68      60.913  55.908  23.638  1.00 23.62           O  
-ATOM   3886  CB  SER C  68      59.425  57.840  25.743  1.00 25.38           C  
-ATOM   3887  OG  SER C  68      58.339  58.502  25.097  1.00 28.52           O  
-ATOM   3888  N   HIS C  69      60.135  57.785  22.582  1.00 24.05           N  
-ATOM   3889  CA  HIS C  69      60.037  57.232  21.247  1.00 24.02           C  
-ATOM   3890  C   HIS C  69      60.524  58.319  20.279  1.00 23.38           C  
-ATOM   3891  O   HIS C  69      59.828  58.701  19.339  1.00 23.68           O  
-ATOM   3892  CB  HIS C  69      58.588  56.811  20.963  1.00 24.15           C  
-ATOM   3893  CG  HIS C  69      57.871  56.321  22.179  1.00 26.10           C  
-ATOM   3894  ND1 HIS C  69      58.106  55.075  22.726  1.00 26.73           N  
-ATOM   3895  CD2 HIS C  69      56.966  56.925  22.985  1.00 27.19           C  
-ATOM   3896  CE1 HIS C  69      57.370  54.931  23.811  1.00 26.82           C  
-ATOM   3897  NE2 HIS C  69      56.665  56.035  23.988  1.00 28.16           N  
-ATOM   3898  N   SER C  70      61.714  58.841  20.550  1.00 22.21           N  
-ATOM   3899  CA  SER C  70      62.359  59.769  19.641  1.00 21.86           C  
-ATOM   3900  C   SER C  70      63.857  59.696  19.831  1.00 21.49           C  
-ATOM   3901  O   SER C  70      64.318  59.195  20.849  1.00 21.18           O  
-ATOM   3902  CB  SER C  70      61.879  61.212  19.897  1.00 21.77           C  
-ATOM   3903  OG  SER C  70      60.489  61.323  19.743  1.00 22.22           O  
-ATOM   3904  N   PRO C  71      64.619  60.177  18.851  1.00 21.14           N  
-ATOM   3905  CA  PRO C  71      66.059  60.398  19.046  1.00 20.97           C  
-ATOM   3906  C   PRO C  71      66.252  61.239  20.310  1.00 20.81           C  
-ATOM   3907  O   PRO C  71      65.415  62.130  20.592  1.00 20.20           O  
-ATOM   3908  CB  PRO C  71      66.460  61.215  17.818  1.00 21.14           C  
-ATOM   3909  CG  PRO C  71      65.461  60.833  16.761  1.00 21.42           C  
-ATOM   3910  CD  PRO C  71      64.176  60.493  17.482  1.00 21.27           C  
-ATOM   3911  N   ASP C  72      67.283  60.943  21.090  1.00 20.34           N  
-ATOM   3912  CA  ASP C  72      67.464  61.705  22.303  1.00 21.17           C  
-ATOM   3913  C   ASP C  72      68.569  62.776  22.248  1.00 19.92           C  
-ATOM   3914  O   ASP C  72      68.791  63.441  23.239  1.00 20.08           O  
-ATOM   3915  CB  ASP C  72      67.617  60.767  23.491  1.00 22.57           C  
-ATOM   3916  CG  ASP C  72      69.002  60.233  23.609  1.00 26.27           C  
-ATOM   3917  OD1 ASP C  72      69.571  59.877  22.549  1.00 30.09           O  
-ATOM   3918  OD2 ASP C  72      69.606  60.179  24.705  1.00 31.67           O  
-ATOM   3919  N   GLN C  73      69.198  62.958  21.076  1.00 18.23           N  
-ATOM   3920  CA  GLN C  73      70.226  63.933  20.832  1.00 17.09           C  
-ATOM   3921  C   GLN C  73      70.189  64.450  19.372  1.00 16.09           C  
-ATOM   3922  O   GLN C  73      69.940  63.709  18.435  1.00 15.14           O  
-ATOM   3923  CB  GLN C  73      71.586  63.321  21.054  1.00 17.55           C  
-ATOM   3924  CG  GLN C  73      72.080  63.412  22.472  1.00 20.70           C  
-ATOM   3925  CD  GLN C  73      73.544  63.015  22.632  1.00 22.78           C  
-ATOM   3926  OE1 GLN C  73      74.414  63.606  21.979  1.00 24.26           O  
-ATOM   3927  NE2 GLN C  73      73.827  62.063  23.524  1.00 19.69           N  
-ATOM   3928  N   VAL C  74      70.444  65.723  19.180  1.00 14.58           N  
-ATOM   3929  CA  VAL C  74      70.581  66.267  17.824  1.00 14.11           C  
-ATOM   3930  C   VAL C  74      71.746  67.238  17.783  1.00 14.37           C  
-ATOM   3931  O   VAL C  74      72.121  67.787  18.845  1.00 13.78           O  
-ATOM   3932  CB  VAL C  74      69.291  67.034  17.375  1.00 14.25           C  
-ATOM   3933  CG1 VAL C  74      68.126  66.063  17.049  1.00 13.31           C  
-ATOM   3934  CG2 VAL C  74      68.893  68.076  18.410  1.00 11.95           C  
-ATOM   3935  N   SER C  75      72.258  67.496  16.577  1.00 13.90           N  
-ATOM   3936  CA  SER C  75      73.183  68.611  16.354  1.00 14.71           C  
-ATOM   3937  C   SER C  75      72.454  69.847  15.868  1.00 15.27           C  
-ATOM   3938  O   SER C  75      71.646  69.752  14.934  1.00 15.58           O  
-ATOM   3939  CB  SER C  75      74.240  68.249  15.309  1.00 14.40           C  
-ATOM   3940  OG  SER C  75      74.990  67.191  15.795  1.00 14.11           O  
-ATOM   3941  N   VAL C  76      72.763  70.994  16.470  1.00 15.45           N  
-ATOM   3942  CA  VAL C  76      72.014  72.223  16.262  1.00 15.27           C  
-ATOM   3943  C   VAL C  76      72.996  73.395  15.956  1.00 15.43           C  
-ATOM   3944  O   VAL C  76      73.956  73.570  16.669  1.00 14.42           O  
-ATOM   3945  CB  VAL C  76      71.199  72.592  17.492  1.00 15.89           C  
-ATOM   3946  CG1 VAL C  76      70.287  73.899  17.201  1.00 14.48           C  
-ATOM   3947  CG2 VAL C  76      70.358  71.447  17.975  1.00 14.12           C  
-ATOM   3948  N   PRO C  77      72.760  74.163  14.882  1.00 16.18           N  
-ATOM   3949  CA  PRO C  77      73.567  75.367  14.621  1.00 16.86           C  
-ATOM   3950  C   PRO C  77      73.543  76.247  15.870  1.00 16.38           C  
-ATOM   3951  O   PRO C  77      72.482  76.386  16.413  1.00 16.20           O  
-ATOM   3952  CB  PRO C  77      72.816  76.077  13.471  1.00 17.16           C  
-ATOM   3953  CG  PRO C  77      71.947  75.022  12.857  1.00 17.49           C  
-ATOM   3954  CD  PRO C  77      71.734  73.952  13.853  1.00 16.39           C  
-ATOM   3955  N   ILE C  78      74.672  76.752  16.358  1.00 17.42           N  
-ATOM   3956  CA  ILE C  78      74.637  77.604  17.572  1.00 18.75           C  
-ATOM   3957  C   ILE C  78      73.843  78.923  17.354  1.00 19.69           C  
-ATOM   3958  O   ILE C  78      73.454  79.580  18.335  1.00 20.35           O  
-ATOM   3959  CB  ILE C  78      76.051  77.916  18.071  1.00 19.42           C  
-ATOM   3960  CG1 ILE C  78      76.829  78.768  17.050  1.00 19.99           C  
-ATOM   3961  CG2 ILE C  78      76.761  76.665  18.496  1.00 18.16           C  
-ATOM   3962  CD1 ILE C  78      78.043  79.533  17.667  1.00 23.20           C  
-ATOM   3963  N   SER C  79      73.595  79.309  16.097  1.00 19.47           N  
-ATOM   3964  CA  SER C  79      72.739  80.462  15.817  1.00 20.90           C  
-ATOM   3965  C   SER C  79      71.287  80.205  16.243  1.00 20.77           C  
-ATOM   3966  O   SER C  79      70.527  81.137  16.445  1.00 20.53           O  
-ATOM   3967  CB  SER C  79      72.813  80.875  14.325  1.00 21.55           C  
-ATOM   3968  OG  SER C  79      72.210  79.902  13.473  1.00 23.67           O  
-ATOM   3969  N   SER C  80      70.900  78.934  16.383  1.00 20.25           N  
-ATOM   3970  CA  SER C  80      69.576  78.631  16.925  1.00 20.64           C  
-ATOM   3971  C   SER C  80      69.530  78.448  18.430  1.00 20.09           C  
-ATOM   3972  O   SER C  80      68.464  78.168  18.945  1.00 20.94           O  
-ATOM   3973  CB  SER C  80      68.999  77.370  16.284  1.00 20.30           C  
-ATOM   3974  OG  SER C  80      68.679  77.629  14.942  1.00 23.89           O  
-ATOM   3975  N   LEU C  81      70.657  78.594  19.127  1.00 19.41           N  
-ATOM   3976  CA  LEU C  81      70.724  78.348  20.577  1.00 19.38           C  
-ATOM   3977  C   LEU C  81      71.252  79.577  21.316  1.00 18.25           C  
-ATOM   3978  O   LEU C  81      72.089  80.289  20.777  1.00 17.24           O  
-ATOM   3979  CB  LEU C  81      71.760  77.222  20.870  1.00 20.11           C  
-ATOM   3980  CG  LEU C  81      71.452  75.859  20.294  1.00 21.53           C  
-ATOM   3981  CD1 LEU C  81      72.454  74.830  20.786  1.00 21.84           C  
-ATOM   3982  CD2 LEU C  81      70.098  75.546  20.794  1.00 24.08           C  
-ATOM   3983  N   TRP C  82      70.856  79.750  22.574  1.00 17.35           N  
-ATOM   3984  CA  TRP C  82      71.624  80.639  23.450  1.00 17.00           C  
-ATOM   3985  C   TRP C  82      72.920  79.894  23.733  1.00 17.30           C  
-ATOM   3986  O   TRP C  82      72.912  78.661  23.957  1.00 16.91           O  
-ATOM   3987  CB  TRP C  82      70.913  80.931  24.747  1.00 15.79           C  
-ATOM   3988  CG  TRP C  82      71.746  81.774  25.717  1.00 17.03           C  
-ATOM   3989  CD1 TRP C  82      71.811  83.170  25.779  1.00 15.57           C  
-ATOM   3990  CD2 TRP C  82      72.607  81.290  26.760  1.00 15.50           C  
-ATOM   3991  NE1 TRP C  82      72.658  83.548  26.792  1.00 15.98           N  
-ATOM   3992  CE2 TRP C  82      73.140  82.426  27.427  1.00 16.71           C  
-ATOM   3993  CE3 TRP C  82      72.944  80.005  27.233  1.00 15.01           C  
-ATOM   3994  CZ2 TRP C  82      74.014  82.318  28.525  1.00 14.77           C  
-ATOM   3995  CZ3 TRP C  82      73.812  79.894  28.339  1.00 15.05           C  
-ATOM   3996  CH2 TRP C  82      74.338  81.042  28.960  1.00 15.72           C  
-ATOM   3997  N   VAL C  83      74.004  80.644  23.734  1.00 17.35           N  
-ATOM   3998  CA  VAL C  83      75.353  80.168  24.028  1.00 18.04           C  
-ATOM   3999  C   VAL C  83      75.998  81.169  25.016  1.00 18.17           C  
-ATOM   4000  O   VAL C  83      75.800  82.367  24.873  1.00 17.59           O  
-ATOM   4001  CB  VAL C  83      76.155  80.067  22.695  1.00 18.87           C  
-ATOM   4002  CG1 VAL C  83      77.656  79.902  22.921  1.00 20.25           C  
-ATOM   4003  CG2 VAL C  83      75.649  78.886  21.866  1.00 19.25           C  
-ATOM   4004  N   PRO C  84      76.729  80.694  26.037  1.00 18.34           N  
-ATOM   4005  CA  PRO C  84      77.362  81.627  26.994  1.00 18.32           C  
-ATOM   4006  C   PRO C  84      78.340  82.593  26.308  1.00 17.86           C  
-ATOM   4007  O   PRO C  84      79.086  82.223  25.393  1.00 16.77           O  
-ATOM   4008  CB  PRO C  84      78.075  80.718  28.015  1.00 18.28           C  
-ATOM   4009  CG  PRO C  84      77.856  79.298  27.539  1.00 18.97           C  
-ATOM   4010  CD  PRO C  84      76.999  79.278  26.341  1.00 18.37           C  
-ATOM   4011  N   ASP C  85      78.319  83.855  26.759  1.00 17.19           N  
-ATOM   4012  CA  ASP C  85      79.168  84.896  26.165  1.00 16.83           C  
-ATOM   4013  C   ASP C  85      80.604  84.848  26.725  1.00 16.86           C  
-ATOM   4014  O   ASP C  85      81.107  85.826  27.304  1.00 16.76           O  
-ATOM   4015  CB  ASP C  85      78.519  86.279  26.364  1.00 16.59           C  
-ATOM   4016  CG  ASP C  85      78.407  86.659  27.821  1.00 18.74           C  
-ATOM   4017  OD1 ASP C  85      78.272  85.734  28.667  1.00 17.91           O  
-ATOM   4018  OD2 ASP C  85      78.514  87.859  28.232  1.00 19.79           O  
-ATOM   4019  N   LEU C  86      81.259  83.688  26.612  1.00 16.63           N  
-ATOM   4020  CA  LEU C  86      82.584  83.511  27.220  1.00 16.73           C  
-ATOM   4021  C   LEU C  86      83.633  84.279  26.447  1.00 17.05           C  
-ATOM   4022  O   LEU C  86      83.578  84.372  25.187  1.00 17.18           O  
-ATOM   4023  CB  LEU C  86      82.973  82.021  27.310  1.00 16.64           C  
-ATOM   4024  CG  LEU C  86      82.025  81.185  28.160  1.00 16.70           C  
-ATOM   4025  CD1 LEU C  86      82.492  79.717  28.199  1.00 17.31           C  
-ATOM   4026  CD2 LEU C  86      81.869  81.770  29.583  1.00 14.85           C  
-ATOM   4027  N   ALA C  87      84.584  84.840  27.185  1.00 16.68           N  
-ATOM   4028  CA  ALA C  87      85.725  85.499  26.544  1.00 16.81           C  
-ATOM   4029  C   ALA C  87      87.006  85.158  27.278  1.00 16.53           C  
-ATOM   4030  O   ALA C  87      86.968  84.941  28.470  1.00 16.55           O  
-ATOM   4031  CB  ALA C  87      85.511  87.016  26.496  1.00 16.40           C  
-ATOM   4032  N   ALA C  88      88.132  85.118  26.578  1.00 16.92           N  
-ATOM   4033  CA  ALA C  88      89.425  84.961  27.260  1.00 17.05           C  
-ATOM   4034  C   ALA C  88      89.931  86.343  27.513  1.00 16.97           C  
-ATOM   4035  O   ALA C  88      90.165  87.096  26.556  1.00 16.94           O  
-ATOM   4036  CB  ALA C  88      90.413  84.182  26.415  1.00 17.05           C  
-ATOM   4037  N   TYR C  89      90.108  86.677  28.791  1.00 16.52           N  
-ATOM   4038  CA  TYR C  89      90.514  88.042  29.197  1.00 16.91           C  
-ATOM   4039  C   TYR C  89      91.909  88.446  28.706  1.00 16.74           C  
-ATOM   4040  O   TYR C  89      92.157  89.628  28.505  1.00 16.99           O  
-ATOM   4041  CB  TYR C  89      90.475  88.234  30.724  1.00 16.64           C  
-ATOM   4042  CG  TYR C  89      89.115  88.407  31.301  1.00 17.59           C  
-ATOM   4043  CD1 TYR C  89      88.103  87.451  31.101  1.00 18.35           C  
-ATOM   4044  CD2 TYR C  89      88.826  89.527  32.078  1.00 18.27           C  
-ATOM   4045  CE1 TYR C  89      86.820  87.627  31.643  1.00 21.10           C  
-ATOM   4046  CE2 TYR C  89      87.558  89.713  32.631  1.00 19.32           C  
-ATOM   4047  CZ  TYR C  89      86.555  88.773  32.417  1.00 22.12           C  
-ATOM   4048  OH  TYR C  89      85.314  88.967  32.984  1.00 23.78           O  
-ATOM   4049  N   ASN C  90      92.822  87.480  28.548  1.00 15.56           N  
-ATOM   4050  CA  ASN C  90      94.179  87.846  28.106  1.00 15.41           C  
-ATOM   4051  C   ASN C  90      94.434  87.482  26.627  1.00 15.13           C  
-ATOM   4052  O   ASN C  90      95.576  87.411  26.195  1.00 14.61           O  
-ATOM   4053  CB  ASN C  90      95.249  87.272  29.029  1.00 14.52           C  
-ATOM   4054  CG  ASN C  90      95.141  85.764  29.146  1.00 15.87           C  
-ATOM   4055  OD1 ASN C  90      94.028  85.225  29.201  1.00 16.66           O  
-ATOM   4056  ND2 ASN C  90      96.267  85.083  29.123  1.00 13.61           N  
-ATOM   4057  N   ALA C  91      93.350  87.283  25.871  1.00 14.56           N  
-ATOM   4058  CA  ALA C  91      93.446  87.074  24.438  1.00 14.94           C  
-ATOM   4059  C   ALA C  91      93.861  88.374  23.752  1.00 14.83           C  
-ATOM   4060  O   ALA C  91      93.408  89.453  24.137  1.00 13.91           O  
-ATOM   4061  CB  ALA C  91      92.126  86.577  23.868  1.00 14.81           C  
-ATOM   4062  N   ILE C  92      94.721  88.253  22.745  1.00 14.76           N  
-ATOM   4063  CA  ILE C  92      95.168  89.410  21.980  1.00 15.83           C  
-ATOM   4064  C   ILE C  92      94.782  89.265  20.492  1.00 16.54           C  
-ATOM   4065  O   ILE C  92      95.169  90.068  19.646  1.00 16.21           O  
-ATOM   4066  CB  ILE C  92      96.687  89.639  22.180  1.00 16.21           C  
-ATOM   4067  CG1 ILE C  92      97.491  88.361  21.844  1.00 15.78           C  
-ATOM   4068  CG2 ILE C  92      96.976  90.124  23.630  1.00 14.97           C  
-ATOM   4069  CD1 ILE C  92      99.018  88.605  21.706  1.00 15.42           C  
-ATOM   4070  N   SER C  93      94.025  88.216  20.182  1.00 17.04           N  
-ATOM   4071  CA  SER C  93      93.437  88.073  18.857  1.00 18.21           C  
-ATOM   4072  C   SER C  93      92.050  87.547  19.067  1.00 18.85           C  
-ATOM   4073  O   SER C  93      91.732  86.993  20.148  1.00 18.82           O  
-ATOM   4074  CB  SER C  93      94.248  87.098  17.978  1.00 18.21           C  
-ATOM   4075  OG  SER C  93      94.121  85.749  18.441  1.00 17.70           O  
-ATOM   4076  N   LYS C  94      91.211  87.682  18.057  1.00 20.03           N  
-ATOM   4077  CA  LYS C  94      89.856  87.176  18.203  1.00 22.28           C  
-ATOM   4078  C   LYS C  94      89.818  85.663  17.976  1.00 22.46           C  
-ATOM   4079  O   LYS C  94      90.572  85.120  17.145  1.00 23.68           O  
-ATOM   4080  CB  LYS C  94      88.848  87.986  17.337  1.00 22.90           C  
-ATOM   4081  CG  LYS C  94      88.767  87.635  15.868  1.00 26.29           C  
-ATOM   4082  CD  LYS C  94      87.968  88.730  15.093  1.00 29.36           C  
-ATOM   4083  CE  LYS C  94      88.368  88.764  13.603  1.00 30.35           C  
-ATOM   4084  NZ  LYS C  94      88.173  90.128  12.900  1.00 31.19           N  
-ATOM   4085  N   PRO C  95      88.979  84.956  18.720  1.00 22.62           N  
-ATOM   4086  CA  PRO C  95      88.984  83.493  18.611  1.00 21.78           C  
-ATOM   4087  C   PRO C  95      88.727  83.128  17.136  1.00 22.56           C  
-ATOM   4088  O   PRO C  95      87.765  83.647  16.572  1.00 22.84           O  
-ATOM   4089  CB  PRO C  95      87.822  83.071  19.504  1.00 21.27           C  
-ATOM   4090  CG  PRO C  95      86.976  84.410  19.744  1.00 21.03           C  
-ATOM   4091  CD  PRO C  95      87.963  85.462  19.673  1.00 22.28           C  
-ATOM   4092  N   GLU C  96      89.606  82.330  16.521  1.00 22.03           N  
-ATOM   4093  CA  GLU C  96      89.380  81.763  15.189  1.00 22.58           C  
-ATOM   4094  C   GLU C  96      88.789  80.327  15.399  1.00 21.42           C  
-ATOM   4095  O   GLU C  96      89.466  79.446  15.907  1.00 21.44           O  
-ATOM   4096  CB  GLU C  96      90.710  81.735  14.439  1.00 23.06           C  
-ATOM   4097  CG  GLU C  96      90.670  81.386  12.957  1.00 28.15           C  
-ATOM   4098  CD  GLU C  96      92.078  81.362  12.320  1.00 35.31           C  
-ATOM   4099  OE1 GLU C  96      92.973  82.111  12.825  1.00 38.69           O  
-ATOM   4100  OE2 GLU C  96      92.296  80.642  11.297  1.00 38.39           O  
-ATOM   4101  N   VAL C  97      87.519  80.154  15.078  1.00 20.26           N  
-ATOM   4102  CA  VAL C  97      86.813  78.890  15.159  1.00 19.49           C  
-ATOM   4103  C   VAL C  97      87.112  78.020  13.931  1.00 19.13           C  
-ATOM   4104  O   VAL C  97      86.785  78.378  12.801  1.00 18.69           O  
-ATOM   4105  CB  VAL C  97      85.285  79.101  15.327  1.00 19.80           C  
-ATOM   4106  CG1 VAL C  97      84.584  77.776  15.566  1.00 18.67           C  
-ATOM   4107  CG2 VAL C  97      84.965  80.120  16.536  1.00 18.78           C  
-ATOM   4108  N   LEU C  98      87.770  76.896  14.147  1.00 18.53           N  
-ATOM   4109  CA  LEU C  98      88.222  76.066  13.030  1.00 18.98           C  
-ATOM   4110  C   LEU C  98      87.220  74.966  12.604  1.00 19.06           C  
-ATOM   4111  O   LEU C  98      87.438  74.304  11.573  1.00 19.54           O  
-ATOM   4112  CB  LEU C  98      89.568  75.399  13.385  1.00 18.86           C  
-ATOM   4113  CG  LEU C  98      90.677  76.297  13.935  1.00 20.04           C  
-ATOM   4114  CD1 LEU C  98      91.850  75.437  14.285  1.00 19.17           C  
-ATOM   4115  CD2 LEU C  98      91.105  77.357  12.923  1.00 20.27           C  
-ATOM   4116  N   THR C  99      86.162  74.745  13.395  1.00 18.29           N  
-ATOM   4117  CA  THR C  99      85.250  73.625  13.178  1.00 17.97           C  
-ATOM   4118  C   THR C  99      83.839  74.093  12.863  1.00 18.22           C  
-ATOM   4119  O   THR C  99      83.540  75.262  13.049  1.00 18.24           O  
-ATOM   4120  CB  THR C  99      85.185  72.824  14.437  1.00 18.03           C  
-ATOM   4121  OG1 THR C  99      85.198  73.742  15.535  1.00 16.67           O  
-ATOM   4122  CG2 THR C  99      86.492  71.954  14.570  1.00 16.43           C  
-ATOM   4123  N   PRO C 100      82.984  73.184  12.352  1.00 18.37           N  
-ATOM   4124  CA  PRO C 100      81.558  73.494  12.147  1.00 18.30           C  
-ATOM   4125  C   PRO C 100      80.900  73.998  13.422  1.00 18.74           C  
-ATOM   4126  O   PRO C 100      81.081  73.402  14.479  1.00 17.92           O  
-ATOM   4127  CB  PRO C 100      80.965  72.173  11.687  1.00 18.18           C  
-ATOM   4128  CG  PRO C 100      82.097  71.495  10.998  1.00 18.86           C  
-ATOM   4129  CD  PRO C 100      83.337  71.850  11.821  1.00 18.03           C  
-ATOM   4130  N   GLN C 101      80.156  75.095  13.314  1.00 18.50           N  
-ATOM   4131  CA  GLN C 101      79.587  75.718  14.510  1.00 19.43           C  
-ATOM   4132  C   GLN C 101      78.268  75.069  14.930  1.00 19.05           C  
-ATOM   4133  O   GLN C 101      77.184  75.658  14.798  1.00 19.18           O  
-ATOM   4134  CB  GLN C 101      79.504  77.248  14.336  1.00 19.22           C  
-ATOM   4135  CG  GLN C 101      80.916  77.889  14.386  1.00 23.56           C  
-ATOM   4136  CD  GLN C 101      80.947  79.382  14.053  1.00 28.89           C  
-ATOM   4137  OE1 GLN C 101      80.212  80.175  14.641  1.00 31.64           O  
-ATOM   4138  NE2 GLN C 101      81.824  79.775  13.121  1.00 29.54           N  
-ATOM   4139  N   LEU C 102      78.374  73.834  15.428  1.00 18.60           N  
-ATOM   4140  CA  LEU C 102      77.199  73.037  15.809  1.00 17.69           C  
-ATOM   4141  C   LEU C 102      77.340  72.627  17.239  1.00 16.76           C  
-ATOM   4142  O   LEU C 102      78.440  72.318  17.688  1.00 16.20           O  
-ATOM   4143  CB  LEU C 102      77.037  71.790  14.916  1.00 17.63           C  
-ATOM   4144  CG  LEU C 102      76.935  71.986  13.410  1.00 20.34           C  
-ATOM   4145  CD1 LEU C 102      76.937  70.631  12.679  1.00 21.23           C  
-ATOM   4146  CD2 LEU C 102      75.713  72.768  12.978  1.00 19.97           C  
-ATOM   4147  N   ALA C 103      76.228  72.636  17.952  1.00 15.86           N  
-ATOM   4148  CA  ALA C 103      76.241  72.153  19.329  1.00 16.73           C  
-ATOM   4149  C   ALA C 103      75.465  70.855  19.357  1.00 16.27           C  
-ATOM   4150  O   ALA C 103      74.590  70.613  18.528  1.00 17.03           O  
-ATOM   4151  CB  ALA C 103      75.606  73.157  20.279  1.00 15.57           C  
-ATOM   4152  N   ARG C 104      75.738  70.054  20.344  1.00 16.30           N  
-ATOM   4153  CA  ARG C 104      75.021  68.790  20.499  1.00 15.80           C  
-ATOM   4154  C   ARG C 104      74.039  69.047  21.626  1.00 15.36           C  
-ATOM   4155  O   ARG C 104      74.445  69.478  22.665  1.00 15.78           O  
-ATOM   4156  CB  ARG C 104      76.035  67.708  20.808  1.00 15.92           C  
-ATOM   4157  CG  ARG C 104      75.537  66.291  20.632  1.00 17.71           C  
-ATOM   4158  CD  ARG C 104      75.371  65.874  19.154  1.00 17.58           C  
-ATOM   4159  NE  ARG C 104      74.832  64.526  19.177  1.00 16.39           N  
-ATOM   4160  CZ  ARG C 104      74.239  63.905  18.184  1.00 16.83           C  
-ATOM   4161  NH1 ARG C 104      74.119  64.464  16.986  1.00 12.88           N  
-ATOM   4162  NH2 ARG C 104      73.801  62.669  18.408  1.00 14.65           N  
-ATOM   4163  N   VAL C 105      72.748  68.829  21.394  1.00 15.02           N  
-ATOM   4164  CA  VAL C 105      71.701  69.034  22.395  1.00 14.16           C  
-ATOM   4165  C   VAL C 105      71.032  67.686  22.753  1.00 14.70           C  
-ATOM   4166  O   VAL C 105      70.617  66.935  21.857  1.00 14.02           O  
-ATOM   4167  CB  VAL C 105      70.638  69.994  21.860  1.00 14.88           C  
-ATOM   4168  CG1 VAL C 105      69.484  70.173  22.861  1.00 14.35           C  
-ATOM   4169  CG2 VAL C 105      71.273  71.399  21.495  1.00 14.22           C  
-ATOM   4170  N   VAL C 106      70.935  67.400  24.055  1.00 14.38           N  
-ATOM   4171  CA  VAL C 106      70.322  66.147  24.576  1.00 14.26           C  
-ATOM   4172  C   VAL C 106      68.868  66.484  24.948  1.00 14.62           C  
-ATOM   4173  O   VAL C 106      68.529  67.667  25.220  1.00 13.73           O  
-ATOM   4174  CB  VAL C 106      71.097  65.606  25.786  1.00 14.53           C  
-ATOM   4175  CG1 VAL C 106      70.582  64.185  26.264  1.00 13.63           C  
-ATOM   4176  CG2 VAL C 106      72.580  65.527  25.467  1.00 15.10           C  
-ATOM   4177  N   SER C 107      67.999  65.471  24.945  1.00 14.55           N  
-ATOM   4178  CA  SER C 107      66.564  65.720  25.130  1.00 15.21           C  
-ATOM   4179  C   SER C 107      66.174  66.303  26.485  1.00 15.57           C  
-ATOM   4180  O   SER C 107      65.073  66.792  26.638  1.00 15.52           O  
-ATOM   4181  CB  SER C 107      65.757  64.459  24.897  1.00 15.09           C  
-ATOM   4182  OG  SER C 107      66.069  63.485  25.871  1.00 14.41           O  
-ATOM   4183  N   ASP C 108      67.054  66.231  27.473  1.00 16.50           N  
-ATOM   4184  CA  ASP C 108      66.774  66.862  28.754  1.00 17.70           C  
-ATOM   4185  C   ASP C 108      67.225  68.319  28.791  1.00 17.58           C  
-ATOM   4186  O   ASP C 108      67.088  68.975  29.816  1.00 17.82           O  
-ATOM   4187  CB  ASP C 108      67.403  66.081  29.910  1.00 17.99           C  
-ATOM   4188  CG  ASP C 108      68.928  65.990  29.821  1.00 21.23           C  
-ATOM   4189  OD1 ASP C 108      69.560  66.590  28.906  1.00 23.29           O  
-ATOM   4190  OD2 ASP C 108      69.590  65.327  30.638  1.00 24.37           O  
-ATOM   4191  N   GLY C 109      67.741  68.833  27.674  1.00 17.55           N  
-ATOM   4192  CA  GLY C 109      68.224  70.199  27.619  1.00 17.34           C  
-ATOM   4193  C   GLY C 109      69.709  70.403  27.852  1.00 17.48           C  
-ATOM   4194  O   GLY C 109      70.166  71.550  27.922  1.00 18.25           O  
-ATOM   4195  N   GLU C 110      70.481  69.330  27.990  1.00 17.57           N  
-ATOM   4196  CA  GLU C 110      71.931  69.478  28.161  1.00 18.45           C  
-ATOM   4197  C   GLU C 110      72.517  69.795  26.804  1.00 17.63           C  
-ATOM   4198  O   GLU C 110      72.178  69.156  25.804  1.00 17.41           O  
-ATOM   4199  CB  GLU C 110      72.632  68.246  28.721  1.00 18.85           C  
-ATOM   4200  CG  GLU C 110      72.352  67.875  30.189  1.00 24.54           C  
-ATOM   4201  CD  GLU C 110      72.682  69.003  31.177  1.00 31.53           C  
-ATOM   4202  OE1 GLU C 110      73.839  69.540  31.166  1.00 33.65           O  
-ATOM   4203  OE2 GLU C 110      71.761  69.381  31.948  1.00 34.58           O  
-ATOM   4204  N   VAL C 111      73.409  70.778  26.781  1.00 16.94           N  
-ATOM   4205  CA  VAL C 111      74.094  71.183  25.581  1.00 15.97           C  
-ATOM   4206  C   VAL C 111      75.592  70.979  25.750  1.00 16.15           C  
-ATOM   4207  O   VAL C 111      76.133  71.262  26.804  1.00 15.65           O  
-ATOM   4208  CB  VAL C 111      73.829  72.703  25.284  1.00 16.22           C  
-ATOM   4209  CG1 VAL C 111      74.424  73.093  23.929  1.00 15.13           C  
-ATOM   4210  CG2 VAL C 111      72.353  73.022  25.349  1.00 14.05           C  
-ATOM   4211  N   LEU C 112      76.244  70.523  24.681  1.00 15.92           N  
-ATOM   4212  CA  LEU C 112      77.697  70.488  24.564  1.00 16.30           C  
-ATOM   4213  C   LEU C 112      78.088  71.247  23.320  1.00 16.59           C  
-ATOM   4214  O   LEU C 112      77.648  70.906  22.197  1.00 15.72           O  
-ATOM   4215  CB  LEU C 112      78.208  69.030  24.473  1.00 16.70           C  
-ATOM   4216  CG  LEU C 112      79.679  68.824  24.046  1.00 18.46           C  
-ATOM   4217  CD1 LEU C 112      80.651  69.383  25.058  1.00 16.04           C  
-ATOM   4218  CD2 LEU C 112      79.988  67.339  23.815  1.00 19.98           C  
-ATOM   4219  N   TYR C 113      78.839  72.318  23.509  1.00 16.45           N  
-ATOM   4220  CA  TYR C 113      79.433  73.027  22.389  1.00 17.31           C  
-ATOM   4221  C   TYR C 113      80.950  72.982  22.543  1.00 17.29           C  
-ATOM   4222  O   TYR C 113      81.451  73.372  23.590  1.00 17.18           O  
-ATOM   4223  CB  TYR C 113      78.926  74.461  22.351  1.00 17.50           C  
-ATOM   4224  CG  TYR C 113      79.486  75.257  21.211  1.00 18.49           C  
-ATOM   4225  CD1 TYR C 113      79.557  74.710  19.927  1.00 19.91           C  
-ATOM   4226  CD2 TYR C 113      80.003  76.535  21.417  1.00 19.68           C  
-ATOM   4227  CE1 TYR C 113      80.093  75.433  18.869  1.00 22.14           C  
-ATOM   4228  CE2 TYR C 113      80.541  77.285  20.337  1.00 19.70           C  
-ATOM   4229  CZ  TYR C 113      80.578  76.726  19.083  1.00 22.45           C  
-ATOM   4230  OH  TYR C 113      81.122  77.426  18.008  1.00 27.17           O  
-ATOM   4231  N   MET C 114      81.654  72.463  21.530  1.00 16.99           N  
-ATOM   4232  CA  MET C 114      83.076  72.167  21.643  1.00 17.24           C  
-ATOM   4233  C   MET C 114      83.825  72.556  20.362  1.00 16.93           C  
-ATOM   4234  O   MET C 114      84.285  71.694  19.596  1.00 16.10           O  
-ATOM   4235  CB  MET C 114      83.322  70.668  21.986  1.00 17.90           C  
-ATOM   4236  CG  MET C 114      84.790  70.370  22.340  1.00 20.47           C  
-ATOM   4237  SD  MET C 114      85.024  68.862  23.367  1.00 27.05           S  
-ATOM   4238  CE  MET C 114      83.488  68.140  23.255  1.00 26.54           C  
-ATOM   4239  N   PRO C 115      83.972  73.868  20.134  1.00 16.55           N  
-ATOM   4240  CA  PRO C 115      84.704  74.342  18.960  1.00 16.53           C  
-ATOM   4241  C   PRO C 115      86.214  74.175  19.109  1.00 16.48           C  
-ATOM   4242  O   PRO C 115      86.711  74.230  20.206  1.00 16.56           O  
-ATOM   4243  CB  PRO C 115      84.359  75.830  18.915  1.00 16.47           C  
-ATOM   4244  CG  PRO C 115      84.083  76.174  20.351  1.00 15.99           C  
-ATOM   4245  CD  PRO C 115      83.408  74.979  20.933  1.00 16.29           C  
-ATOM   4246  N   SER C 116      86.910  73.927  18.013  1.00 16.28           N  
-ATOM   4247  CA  SER C 116      88.348  73.999  17.997  1.00 16.62           C  
-ATOM   4248  C   SER C 116      88.672  75.470  17.722  1.00 16.54           C  
-ATOM   4249  O   SER C 116      88.163  76.056  16.763  1.00 16.07           O  
-ATOM   4250  CB  SER C 116      88.891  73.122  16.894  1.00 16.19           C  
-ATOM   4251  OG  SER C 116      90.277  73.131  16.958  1.00 18.67           O  
-ATOM   4252  N   ILE C 117      89.488  76.062  18.592  1.00 16.91           N  
-ATOM   4253  CA  ILE C 117      89.788  77.470  18.507  1.00 17.35           C  
-ATOM   4254  C   ILE C 117      91.291  77.710  18.383  1.00 17.30           C  
-ATOM   4255  O   ILE C 117      92.089  77.114  19.102  1.00 17.15           O  
-ATOM   4256  CB  ILE C 117      89.199  78.196  19.716  1.00 17.76           C  
-ATOM   4257  CG1 ILE C 117      87.677  78.171  19.614  1.00 19.57           C  
-ATOM   4258  CG2 ILE C 117      89.755  79.671  19.807  1.00 17.26           C  
-ATOM   4259  CD1 ILE C 117      86.919  78.933  20.712  1.00 20.42           C  
-ATOM   4260  N   ARG C 118      91.668  78.547  17.433  1.00 17.17           N  
-ATOM   4261  CA  ARG C 118      93.021  79.102  17.384  1.00 17.62           C  
-ATOM   4262  C   ARG C 118      92.997  80.566  17.881  1.00 17.37           C  
-ATOM   4263  O   ARG C 118      92.178  81.386  17.449  1.00 16.75           O  
-ATOM   4264  CB  ARG C 118      93.590  79.046  15.979  1.00 17.78           C  
-ATOM   4265  CG  ARG C 118      95.061  79.416  15.952  1.00 19.59           C  
-ATOM   4266  CD  ARG C 118      95.663  79.499  14.565  1.00 23.25           C  
-ATOM   4267  NE  ARG C 118      97.075  79.856  14.664  1.00 26.48           N  
-ATOM   4268  CZ  ARG C 118      98.010  79.539  13.772  1.00 28.10           C  
-ATOM   4269  NH1 ARG C 118      97.699  78.833  12.691  1.00 27.88           N  
-ATOM   4270  NH2 ARG C 118      99.275  79.923  13.973  1.00 27.85           N  
-ATOM   4271  N   GLN C 119      93.865  80.868  18.821  1.00 16.94           N  
-ATOM   4272  CA  GLN C 119      93.852  82.176  19.456  1.00 16.24           C  
-ATOM   4273  C   GLN C 119      95.237  82.412  20.071  1.00 16.03           C  
-ATOM   4274  O   GLN C 119      95.949  81.450  20.440  1.00 15.66           O  
-ATOM   4275  CB  GLN C 119      92.730  82.254  20.501  1.00 16.55           C  
-ATOM   4276  CG  GLN C 119      92.372  83.666  20.957  1.00 17.30           C  
-ATOM   4277  CD  GLN C 119      91.075  83.724  21.747  1.00 18.17           C  
-ATOM   4278  OE1 GLN C 119      90.661  82.734  22.383  1.00 20.22           O  
-ATOM   4279  NE2 GLN C 119      90.408  84.862  21.683  1.00 17.79           N  
-ATOM   4280  N   ARG C 120      95.609  83.687  20.170  1.00 13.89           N  
-ATOM   4281  CA  ARG C 120      96.883  84.141  20.663  1.00 13.28           C  
-ATOM   4282  C   ARG C 120      96.635  84.841  22.010  1.00 12.12           C  
-ATOM   4283  O   ARG C 120      95.641  85.534  22.173  1.00 11.64           O  
-ATOM   4284  CB  ARG C 120      97.495  85.151  19.664  1.00 14.20           C  
-ATOM   4285  CG  ARG C 120      98.180  84.539  18.419  1.00 18.80           C  
-ATOM   4286  CD  ARG C 120      98.668  85.585  17.375  1.00 27.85           C  
-ATOM   4287  NE  ARG C 120      97.753  85.656  16.224  1.00 36.06           N  
-ATOM   4288  CZ  ARG C 120      97.394  86.776  15.591  1.00 39.17           C  
-ATOM   4289  NH1 ARG C 120      97.885  87.967  15.966  1.00 39.02           N  
-ATOM   4290  NH2 ARG C 120      96.543  86.700  14.566  1.00 41.03           N  
-ATOM   4291  N   PHE C 121      97.548  84.684  22.952  1.00 11.35           N  
-ATOM   4292  CA  PHE C 121      97.326  85.100  24.305  1.00 12.75           C  
-ATOM   4293  C   PHE C 121      98.589  85.812  24.765  1.00 14.60           C  
-ATOM   4294  O   PHE C 121      99.691  85.470  24.312  1.00 14.92           O  
-ATOM   4295  CB  PHE C 121      97.035  83.908  25.236  1.00 12.01           C  
-ATOM   4296  CG  PHE C 121      95.753  83.180  24.909  1.00 11.58           C  
-ATOM   4297  CD1 PHE C 121      94.532  83.658  25.356  1.00  6.44           C  
-ATOM   4298  CD2 PHE C 121      95.769  82.031  24.122  1.00  9.44           C  
-ATOM   4299  CE1 PHE C 121      93.377  83.030  25.040  1.00  7.22           C  
-ATOM   4300  CE2 PHE C 121      94.594  81.353  23.841  1.00 11.16           C  
-ATOM   4301  CZ  PHE C 121      93.388  81.866  24.272  1.00 11.16           C  
-ATOM   4302  N   SER C 122      98.397  86.789  25.653  1.00 15.03           N  
-ATOM   4303  CA  SER C 122      99.460  87.413  26.394  1.00 15.94           C  
-ATOM   4304  C   SER C 122      99.589  86.677  27.728  1.00 16.58           C  
-ATOM   4305  O   SER C 122      98.627  86.608  28.501  1.00 15.84           O  
-ATOM   4306  CB  SER C 122      99.115  88.885  26.634  1.00 15.58           C  
-ATOM   4307  OG  SER C 122      99.827  89.389  27.740  1.00 16.20           O  
-ATOM   4308  N   CYS C 123     100.760  86.104  27.981  1.00 17.41           N  
-ATOM   4309  CA  CYS C 123     101.000  85.377  29.231  1.00 19.60           C  
-ATOM   4310  C   CYS C 123     102.478  85.128  29.484  1.00 19.29           C  
-ATOM   4311  O   CYS C 123     103.333  85.517  28.689  1.00 19.13           O  
-ATOM   4312  CB  CYS C 123     100.240  84.052  29.240  1.00 20.51           C  
-ATOM   4313  SG  CYS C 123     100.595  82.989  27.855  1.00 25.74           S  
-ATOM   4314  N   ASP C 124     102.775  84.484  30.600  1.00 19.47           N  
-ATOM   4315  CA  ASP C 124     104.160  84.265  31.016  1.00 19.38           C  
-ATOM   4316  C   ASP C 124     104.807  83.167  30.219  1.00 19.17           C  
-ATOM   4317  O   ASP C 124     104.526  81.998  30.444  1.00 19.30           O  
-ATOM   4318  CB  ASP C 124     104.188  83.900  32.490  1.00 19.31           C  
-ATOM   4319  CG  ASP C 124     105.556  84.068  33.113  1.00 20.00           C  
-ATOM   4320  OD1 ASP C 124     106.546  84.404  32.434  1.00 19.43           O  
-ATOM   4321  OD2 ASP C 124     105.721  83.882  34.321  1.00 21.32           O  
-ATOM   4322  N   VAL C 125     105.687  83.547  29.300  1.00 19.12           N  
-ATOM   4323  CA  VAL C 125     106.400  82.580  28.454  1.00 18.79           C  
-ATOM   4324  C   VAL C 125     107.803  82.281  28.999  1.00 18.58           C  
-ATOM   4325  O   VAL C 125     108.514  81.421  28.465  1.00 18.60           O  
-ATOM   4326  CB  VAL C 125     106.423  83.030  26.971  1.00 18.93           C  
-ATOM   4327  CG1 VAL C 125     107.188  82.068  26.113  1.00 18.83           C  
-ATOM   4328  CG2 VAL C 125     105.005  83.141  26.434  1.00 18.31           C  
-ATOM   4329  N   SER C 126     108.193  82.953  30.084  1.00 18.18           N  
-ATOM   4330  CA  SER C 126     109.531  82.739  30.644  1.00 18.31           C  
-ATOM   4331  C   SER C 126     109.723  81.284  31.099  1.00 18.01           C  
-ATOM   4332  O   SER C 126     108.810  80.672  31.660  1.00 17.69           O  
-ATOM   4333  CB  SER C 126     109.827  83.722  31.793  1.00 18.05           C  
-ATOM   4334  OG  SER C 126     108.983  83.472  32.894  1.00 18.44           O  
-ATOM   4335  N   GLY C 127     110.916  80.748  30.855  1.00 17.79           N  
-ATOM   4336  CA  GLY C 127     111.222  79.374  31.202  1.00 17.44           C  
-ATOM   4337  C   GLY C 127     110.784  78.312  30.204  1.00 17.19           C  
-ATOM   4338  O   GLY C 127     111.012  77.129  30.450  1.00 17.27           O  
-ATOM   4339  N   VAL C 128     110.192  78.713  29.079  1.00 16.76           N  
-ATOM   4340  CA  VAL C 128     109.733  77.763  28.079  1.00 16.83           C  
-ATOM   4341  C   VAL C 128     110.842  76.770  27.646  1.00 17.08           C  
-ATOM   4342  O   VAL C 128     110.544  75.641  27.223  1.00 16.77           O  
-ATOM   4343  CB  VAL C 128     109.053  78.467  26.870  1.00 16.66           C  
-ATOM   4344  CG1 VAL C 128     110.034  79.209  26.024  1.00 16.75           C  
-ATOM   4345  CG2 VAL C 128     108.313  77.479  26.026  1.00 16.93           C  
-ATOM   4346  N   ASP C 129     112.095  77.206  27.820  1.00 17.41           N  
-ATOM   4347  CA  ASP C 129     113.316  76.498  27.412  1.00 18.42           C  
-ATOM   4348  C   ASP C 129     114.077  75.781  28.540  1.00 18.46           C  
-ATOM   4349  O   ASP C 129     115.093  75.127  28.283  1.00 18.98           O  
-ATOM   4350  CB  ASP C 129     114.285  77.494  26.764  1.00 19.05           C  
-ATOM   4351  CG  ASP C 129     114.258  77.451  25.236  1.00 21.96           C  
-ATOM   4352  OD1 ASP C 129     114.827  76.477  24.656  1.00 26.96           O  
-ATOM   4353  OD2 ASP C 129     113.729  78.356  24.535  1.00 20.48           O  
-ATOM   4354  N   THR C 130     113.637  75.951  29.785  1.00 18.49           N  
-ATOM   4355  CA  THR C 130     114.155  75.163  30.915  1.00 18.35           C  
-ATOM   4356  C   THR C 130     113.318  73.894  31.035  1.00 18.21           C  
-ATOM   4357  O   THR C 130     112.309  73.752  30.350  1.00 17.90           O  
-ATOM   4358  CB  THR C 130     114.170  75.964  32.286  1.00 18.50           C  
-ATOM   4359  OG1 THR C 130     112.848  76.027  32.855  1.00 17.86           O  
-ATOM   4360  CG2 THR C 130     114.590  77.442  32.098  1.00 18.33           C  
-ATOM   4361  N   GLU C 131     113.735  72.985  31.909  1.00 18.44           N  
-ATOM   4362  CA  GLU C 131     113.040  71.718  32.099  1.00 18.49           C  
-ATOM   4363  C   GLU C 131     111.728  71.889  32.853  1.00 18.33           C  
-ATOM   4364  O   GLU C 131     110.770  71.165  32.585  1.00 17.96           O  
-ATOM   4365  CB  GLU C 131     113.944  70.687  32.797  1.00 18.65           C  
-ATOM   4366  CG  GLU C 131     113.322  69.299  32.905  1.00 19.52           C  
-ATOM   4367  CD  GLU C 131     114.343  68.180  33.044  1.00 23.25           C  
-ATOM   4368  OE1 GLU C 131     115.308  68.321  33.843  1.00 22.56           O  
-ATOM   4369  OE2 GLU C 131     114.169  67.140  32.363  1.00 25.11           O  
-ATOM   4370  N   SER C 132     111.670  72.847  33.783  1.00 18.29           N  
-ATOM   4371  CA  SER C 132     110.413  73.115  34.481  1.00 18.78           C  
-ATOM   4372  C   SER C 132     109.390  73.824  33.594  1.00 18.58           C  
-ATOM   4373  O   SER C 132     108.201  73.857  33.923  1.00 18.80           O  
-ATOM   4374  CB  SER C 132     110.629  73.877  35.790  1.00 19.30           C  
-ATOM   4375  OG  SER C 132     111.513  74.963  35.623  1.00 21.20           O  
-ATOM   4376  N   GLY C 133     109.850  74.369  32.471  1.00 18.32           N  
-ATOM   4377  CA  GLY C 133     108.966  74.946  31.477  1.00 17.91           C  
-ATOM   4378  C   GLY C 133     108.342  76.273  31.852  1.00 18.14           C  
-ATOM   4379  O   GLY C 133     108.606  76.828  32.936  1.00 17.15           O  
-ATOM   4380  N   ALA C 134     107.516  76.786  30.940  1.00 18.09           N  
-ATOM   4381  CA  ALA C 134     106.771  78.002  31.182  1.00 18.58           C  
-ATOM   4382  C   ALA C 134     105.385  77.632  31.707  1.00 19.19           C  
-ATOM   4383  O   ALA C 134     104.892  76.530  31.453  1.00 19.07           O  
-ATOM   4384  CB  ALA C 134     106.669  78.813  29.891  1.00 18.33           C  
-ATOM   4385  N   THR C 135     104.760  78.547  32.436  1.00 19.92           N  
-ATOM   4386  CA  THR C 135     103.340  78.396  32.777  1.00 20.77           C  
-ATOM   4387  C   THR C 135     102.523  79.566  32.243  1.00 21.31           C  
-ATOM   4388  O   THR C 135     102.612  80.671  32.794  1.00 21.17           O  
-ATOM   4389  CB  THR C 135     103.145  78.258  34.301  1.00 20.75           C  
-ATOM   4390  OG1 THR C 135     103.904  77.139  34.778  1.00 21.30           O  
-ATOM   4391  CG2 THR C 135     101.692  77.863  34.615  1.00 20.14           C  
-ATOM   4392  N   CYS C 136     101.737  79.297  31.190  1.00 21.46           N  
-ATOM   4393  CA  CYS C 136     100.851  80.285  30.593  1.00 22.68           C  
-ATOM   4394  C   CYS C 136      99.448  80.177  31.187  1.00 22.27           C  
-ATOM   4395  O   CYS C 136      98.819  79.124  31.128  1.00 22.31           O  
-ATOM   4396  CB  CYS C 136     100.777  80.101  29.072  1.00 22.71           C  
-ATOM   4397  SG  CYS C 136      99.582  81.205  28.229  1.00 28.61           S  
-ATOM   4398  N   ARG C 137      98.944  81.284  31.715  1.00 21.81           N  
-ATOM   4399  CA  ARG C 137      97.620  81.302  32.315  1.00 21.36           C  
-ATOM   4400  C   ARG C 137      96.556  81.919  31.414  1.00 20.34           C  
-ATOM   4401  O   ARG C 137      96.709  83.056  30.975  1.00 19.85           O  
-ATOM   4402  CB  ARG C 137      97.695  82.077  33.621  1.00 21.82           C  
-ATOM   4403  CG  ARG C 137      96.923  81.445  34.730  1.00 25.26           C  
-ATOM   4404  CD  ARG C 137      97.062  82.133  36.081  1.00 30.22           C  
-ATOM   4405  NE  ARG C 137      98.334  82.840  36.224  1.00 33.08           N  
-ATOM   4406  CZ  ARG C 137      99.405  82.333  36.814  1.00 35.41           C  
-ATOM   4407  NH1 ARG C 137      99.367  81.096  37.317  1.00 35.51           N  
-ATOM   4408  NH2 ARG C 137     100.523  83.049  36.905  1.00 35.71           N  
-ATOM   4409  N   ILE C 138      95.483  81.179  31.148  1.00 19.15           N  
-ATOM   4410  CA  ILE C 138      94.397  81.691  30.317  1.00 18.50           C  
-ATOM   4411  C   ILE C 138      93.127  81.863  31.181  1.00 18.17           C  
-ATOM   4412  O   ILE C 138      92.642  80.922  31.803  1.00 17.79           O  
-ATOM   4413  CB  ILE C 138      94.145  80.759  29.110  1.00 18.26           C  
-ATOM   4414  CG1 ILE C 138      95.354  80.749  28.184  1.00 17.91           C  
-ATOM   4415  CG2 ILE C 138      92.902  81.161  28.373  1.00 18.19           C  
-ATOM   4416  CD1 ILE C 138      95.358  79.616  27.141  1.00 19.34           C  
-ATOM   4417  N   LYS C 139      92.605  83.085  31.219  1.00 17.40           N  
-ATOM   4418  CA  LYS C 139      91.458  83.406  32.043  1.00 16.88           C  
-ATOM   4419  C   LYS C 139      90.190  83.516  31.191  1.00 16.69           C  
-ATOM   4420  O   LYS C 139      90.134  84.307  30.244  1.00 16.39           O  
-ATOM   4421  CB  LYS C 139      91.737  84.708  32.796  1.00 16.88           C  
-ATOM   4422  CG  LYS C 139      90.536  85.335  33.499  1.00 16.95           C  
-ATOM   4423  CD  LYS C 139      90.995  86.565  34.302  1.00 18.63           C  
-ATOM   4424  CE  LYS C 139      89.766  87.372  34.774  1.00 19.20           C  
-ATOM   4425  NZ  LYS C 139      90.138  88.705  35.301  1.00 20.90           N  
-ATOM   4426  N   ILE C 140      89.173  82.722  31.533  1.00 16.38           N  
-ATOM   4427  CA  ILE C 140      87.957  82.675  30.717  1.00 16.33           C  
-ATOM   4428  C   ILE C 140      86.720  82.845  31.568  1.00 15.82           C  
-ATOM   4429  O   ILE C 140      86.573  82.183  32.605  1.00 15.41           O  
-ATOM   4430  CB  ILE C 140      87.877  81.354  29.901  1.00 17.27           C  
-ATOM   4431  CG1 ILE C 140      88.988  81.340  28.844  1.00 19.10           C  
-ATOM   4432  CG2 ILE C 140      86.502  81.218  29.168  1.00 16.44           C  
-ATOM   4433  CD1 ILE C 140      89.045  80.085  28.038  1.00 23.34           C  
-ATOM   4434  N   GLY C 141      85.821  83.724  31.144  1.00 14.50           N  
-ATOM   4435  CA  GLY C 141      84.585  83.890  31.884  1.00 14.26           C  
-ATOM   4436  C   GLY C 141      83.564  84.597  31.016  1.00 14.31           C  
-ATOM   4437  O   GLY C 141      83.897  85.059  29.924  1.00 14.36           O  
-ATOM   4438  N   SER C 142      82.340  84.685  31.511  1.00 13.53           N  
-ATOM   4439  CA  SER C 142      81.300  85.456  30.855  1.00 13.47           C  
-ATOM   4440  C   SER C 142      81.717  86.933  30.790  1.00 12.81           C  
-ATOM   4441  O   SER C 142      82.155  87.527  31.797  1.00 12.99           O  
-ATOM   4442  CB  SER C 142      79.993  85.395  31.617  1.00 13.15           C  
-ATOM   4443  OG  SER C 142      79.047  86.230  30.965  1.00 13.70           O  
-ATOM   4444  N   TRP C 143      81.545  87.510  29.619  1.00 11.81           N  
-ATOM   4445  CA  TRP C 143      81.908  88.906  29.422  1.00 11.77           C  
-ATOM   4446  C   TRP C 143      80.936  89.863  30.100  1.00 11.40           C  
-ATOM   4447  O   TRP C 143      81.383  90.888  30.606  1.00 12.00           O  
-ATOM   4448  CB  TRP C 143      82.055  89.238  27.914  1.00 11.62           C  
-ATOM   4449  CG  TRP C 143      82.762  90.593  27.701  1.00 11.78           C  
-ATOM   4450  CD1 TRP C 143      82.221  91.745  27.199  1.00 12.04           C  
-ATOM   4451  CD2 TRP C 143      84.112  90.907  28.066  1.00 11.17           C  
-ATOM   4452  NE1 TRP C 143      83.165  92.758  27.210  1.00 11.41           N  
-ATOM   4453  CE2 TRP C 143      84.338  92.264  27.725  1.00 10.89           C  
-ATOM   4454  CE3 TRP C 143      85.177  90.155  28.607  1.00 11.08           C  
-ATOM   4455  CZ2 TRP C 143      85.573  92.895  27.916  1.00 12.51           C  
-ATOM   4456  CZ3 TRP C 143      86.399  90.762  28.800  1.00 12.10           C  
-ATOM   4457  CH2 TRP C 143      86.593  92.148  28.465  1.00 12.59           C  
-ATOM   4458  N   THR C 144      79.621  89.547  30.087  1.00 10.95           N  
-ATOM   4459  CA  THR C 144      78.580  90.466  30.543  1.00 10.65           C  
-ATOM   4460  C   THR C 144      77.629  89.946  31.617  1.00 10.85           C  
-ATOM   4461  O   THR C 144      76.791  90.726  32.089  1.00 10.19           O  
-ATOM   4462  CB  THR C 144      77.697  91.008  29.377  1.00 10.75           C  
-ATOM   4463  OG1 THR C 144      76.865  89.937  28.902  1.00 10.31           O  
-ATOM   4464  CG2 THR C 144      78.540  91.371  28.195  1.00 10.69           C  
-ATOM   4465  N   HIS C 145      77.727  88.659  31.970  1.00 10.61           N  
-ATOM   4466  CA  HIS C 145      76.846  88.073  33.000  1.00 10.52           C  
-ATOM   4467  C   HIS C 145      77.614  87.834  34.286  1.00 10.62           C  
-ATOM   4468  O   HIS C 145      78.616  87.117  34.277  1.00 10.62           O  
-ATOM   4469  CB  HIS C 145      76.255  86.737  32.497  1.00 10.42           C  
-ATOM   4470  CG  HIS C 145      75.207  86.917  31.461  1.00 10.19           C  
-ATOM   4471  ND1 HIS C 145      75.415  86.742  30.140  1.00  9.49           N  
-ATOM   4472  CD2 HIS C 145      73.936  87.301  31.540  1.00  7.85           C  
-ATOM   4473  CE1 HIS C 145      74.328  87.025  29.445  1.00 10.11           C  
-ATOM   4474  NE2 HIS C 145      73.408  87.362  30.279  1.00  9.53           N  
-ATOM   4475  N   HIS C 146      77.163  88.460  35.366  1.00 10.00           N  
-ATOM   4476  CA  HIS C 146      77.769  88.316  36.655  1.00 10.66           C  
-ATOM   4477  C   HIS C 146      77.399  86.998  37.339  1.00 11.05           C  
-ATOM   4478  O   HIS C 146      76.694  86.163  36.754  1.00 10.93           O  
-ATOM   4479  CB  HIS C 146      77.443  89.539  37.551  1.00 10.65           C  
-ATOM   4480  CG  HIS C 146      75.978  89.785  37.752  1.00 11.79           C  
-ATOM   4481  ND1 HIS C 146      75.191  89.037  38.574  1.00 12.66           N  
-ATOM   4482  CD2 HIS C 146      75.171  90.764  37.307  1.00 12.10           C  
-ATOM   4483  CE1 HIS C 146      73.954  89.494  38.579  1.00 12.42           C  
-ATOM   4484  NE2 HIS C 146      73.917  90.555  37.822  1.00 11.89           N  
-ATOM   4485  N   SER C 147      77.875  86.824  38.579  1.00 11.22           N  
-ATOM   4486  CA  SER C 147      77.813  85.539  39.272  1.00 11.48           C  
-ATOM   4487  C   SER C 147      76.409  85.035  39.576  1.00 11.63           C  
-ATOM   4488  O   SER C 147      76.217  83.842  39.785  1.00 12.36           O  
-ATOM   4489  CB  SER C 147      78.665  85.526  40.531  1.00 11.05           C  
-ATOM   4490  OG  SER C 147      78.151  86.434  41.528  1.00 12.05           O  
-ATOM   4491  N   ARG C 148      75.412  85.912  39.583  1.00 12.25           N  
-ATOM   4492  CA  ARG C 148      74.033  85.445  39.816  1.00 12.25           C  
-ATOM   4493  C   ARG C 148      73.352  84.996  38.518  1.00 12.08           C  
-ATOM   4494  O   ARG C 148      72.229  84.504  38.517  1.00 11.91           O  
-ATOM   4495  CB  ARG C 148      73.231  86.496  40.537  1.00 12.61           C  
-ATOM   4496  CG  ARG C 148      73.807  86.830  41.920  1.00 14.34           C  
-ATOM   4497  CD  ARG C 148      73.016  87.819  42.676  1.00 19.19           C  
-ATOM   4498  NE  ARG C 148      72.909  89.120  42.001  1.00 22.01           N  
-ATOM   4499  CZ  ARG C 148      71.768  89.610  41.476  1.00 24.31           C  
-ATOM   4500  NH1 ARG C 148      70.630  88.902  41.533  1.00 22.72           N  
-ATOM   4501  NH2 ARG C 148      71.770  90.814  40.903  1.00 23.79           N  
-ATOM   4502  N   GLU C 149      74.066  85.140  37.412  1.00 11.96           N  
-ATOM   4503  CA  GLU C 149      73.526  84.834  36.113  1.00 12.00           C  
-ATOM   4504  C   GLU C 149      74.294  83.712  35.475  1.00 12.08           C  
-ATOM   4505  O   GLU C 149      73.708  82.808  34.902  1.00 12.10           O  
-ATOM   4506  CB  GLU C 149      73.512  86.092  35.243  1.00 11.93           C  
-ATOM   4507  CG  GLU C 149      72.452  87.108  35.701  1.00 13.26           C  
-ATOM   4508  CD  GLU C 149      72.436  88.380  34.859  1.00 16.29           C  
-ATOM   4509  OE1 GLU C 149      73.150  88.466  33.850  1.00 17.02           O  
-ATOM   4510  OE2 GLU C 149      71.675  89.287  35.188  1.00 17.55           O  
-ATOM   4511  N   ILE C 150      75.613  83.755  35.556  1.00 12.34           N  
-ATOM   4512  CA  ILE C 150      76.434  82.668  35.021  1.00 12.82           C  
-ATOM   4513  C   ILE C 150      77.522  82.316  36.031  1.00 14.20           C  
-ATOM   4514  O   ILE C 150      78.287  83.199  36.463  1.00 14.61           O  
-ATOM   4515  CB  ILE C 150      77.097  83.075  33.694  1.00 12.79           C  
-ATOM   4516  CG1 ILE C 150      76.073  83.158  32.556  1.00 12.06           C  
-ATOM   4517  CG2 ILE C 150      78.260  82.122  33.384  1.00 11.82           C  
-ATOM   4518  CD1 ILE C 150      76.661  83.278  31.129  1.00 10.89           C  
-ATOM   4519  N   SER C 151      77.588  81.049  36.427  1.00 15.10           N  
-ATOM   4520  CA  SER C 151      78.754  80.540  37.137  1.00 17.31           C  
-ATOM   4521  C   SER C 151      79.578  79.699  36.168  1.00 18.69           C  
-ATOM   4522  O   SER C 151      79.031  79.091  35.237  1.00 18.95           O  
-ATOM   4523  CB  SER C 151      78.356  79.743  38.390  1.00 17.55           C  
-ATOM   4524  OG  SER C 151      77.571  78.622  38.031  1.00 19.32           O  
-ATOM   4525  N   VAL C 152      80.893  79.709  36.336  1.00 20.28           N  
-ATOM   4526  CA  VAL C 152      81.766  78.938  35.474  1.00 22.37           C  
-ATOM   4527  C   VAL C 152      82.568  78.027  36.346  1.00 24.15           C  
-ATOM   4528  O   VAL C 152      83.040  78.411  37.415  1.00 24.10           O  
-ATOM   4529  CB  VAL C 152      82.706  79.786  34.585  1.00 22.39           C  
-ATOM   4530  CG1 VAL C 152      81.932  80.401  33.451  1.00 22.63           C  
-ATOM   4531  CG2 VAL C 152      83.378  80.873  35.368  1.00 23.15           C  
-ATOM   4532  N   ASP C 153      82.734  76.812  35.860  1.00 25.56           N  
-ATOM   4533  CA  ASP C 153      83.393  75.773  36.616  1.00 28.34           C  
-ATOM   4534  C   ASP C 153      84.220  74.929  35.657  1.00 28.53           C  
-ATOM   4535  O   ASP C 153      83.865  74.837  34.490  1.00 28.77           O  
-ATOM   4536  CB  ASP C 153      82.333  74.905  37.302  1.00 28.37           C  
-ATOM   4537  CG  ASP C 153      82.159  75.267  38.742  1.00 33.20           C  
-ATOM   4538  OD1 ASP C 153      83.057  74.882  39.530  1.00 38.91           O  
-ATOM   4539  OD2 ASP C 153      81.182  75.939  39.187  1.00 36.73           O  
-ATOM   4540  N   PRO C 154      85.307  74.330  36.132  1.00 29.45           N  
-ATOM   4541  CA  PRO C 154      86.032  73.335  35.327  1.00 30.79           C  
-ATOM   4542  C   PRO C 154      85.127  72.139  35.017  1.00 32.15           C  
-ATOM   4543  O   PRO C 154      84.375  71.723  35.893  1.00 31.22           O  
-ATOM   4544  CB  PRO C 154      87.185  72.901  36.241  1.00 30.58           C  
-ATOM   4545  CG  PRO C 154      87.258  73.938  37.310  1.00 30.00           C  
-ATOM   4546  CD  PRO C 154      85.905  74.520  37.468  1.00 29.37           C  
-ATOM   4547  N   THR C 155      85.158  71.634  33.779  1.00 34.64           N  
-ATOM   4548  CA  THR C 155      84.502  70.351  33.457  1.00 37.50           C  
-ATOM   4549  C   THR C 155      84.927  69.285  34.509  1.00 38.99           C  
-ATOM   4550  O   THR C 155      86.108  69.172  34.838  1.00 39.13           O  
-ATOM   4551  CB  THR C 155      84.871  69.910  32.016  1.00 37.17           C  
-ATOM   4552  OG1 THR C 155      84.101  70.656  31.051  1.00 38.02           O  
-ATOM   4553  CG2 THR C 155      84.468  68.463  31.746  1.00 36.82           C  
-ATOM   4554  N   THR C 156      83.986  68.523  35.048  1.00 41.49           N  
-ATOM   4555  CA  THR C 156      84.352  67.590  36.136  1.00 44.34           C  
-ATOM   4556  C   THR C 156      85.323  66.464  35.758  1.00 46.13           C  
-ATOM   4557  O   THR C 156      86.379  66.333  36.411  1.00 46.88           O  
-ATOM   4558  CB  THR C 156      83.128  66.991  36.854  1.00 44.18           C  
-ATOM   4559  OG1 THR C 156      82.142  66.602  35.889  1.00 45.05           O  
-ATOM   4560  CG2 THR C 156      82.446  68.035  37.763  1.00 44.21           C  
-ATOM   4561  N   GLU C 157      84.968  65.666  34.735  1.00 47.89           N  
-ATOM   4562  CA  GLU C 157      85.703  64.432  34.349  1.00 49.47           C  
-ATOM   4563  C   GLU C 157      87.245  64.544  34.489  1.00 50.30           C  
-ATOM   4564  O   GLU C 157      87.882  65.375  33.818  1.00 50.59           O  
-ATOM   4565  CB  GLU C 157      85.270  63.927  32.940  1.00 49.62           C  
-ATOM   4566  CG  GLU C 157      85.854  64.682  31.733  1.00 50.57           C  
-ATOM   4567  CD  GLU C 157      84.897  64.844  30.536  1.00 52.20           C  
-ATOM   4568  OE1 GLU C 157      83.646  64.929  30.706  1.00 50.81           O  
-ATOM   4569  OE2 GLU C 157      85.414  64.922  29.396  1.00 52.87           O  
-ATOM   4570  N   ASN C 158      87.825  63.728  35.378  1.00 51.13           N  
-ATOM   4571  CA  ASN C 158      89.262  63.793  35.698  1.00 51.71           C  
-ATOM   4572  C   ASN C 158      90.136  64.134  34.489  1.00 51.81           C  
-ATOM   4573  O   ASN C 158      90.349  63.309  33.598  1.00 51.78           O  
-ATOM   4574  CB  ASN C 158      89.750  62.509  36.378  1.00 51.95           C  
-ATOM   4575  CG  ASN C 158      91.057  62.714  37.128  1.00 52.60           C  
-ATOM   4576  OD1 ASN C 158      92.115  62.243  36.705  1.00 52.64           O  
-ATOM   4577  ND2 ASN C 158      90.989  63.436  38.243  1.00 53.60           N  
-ATOM   4578  N   SER C 159      90.629  65.369  34.483  1.00 52.11           N  
-ATOM   4579  CA  SER C 159      91.245  65.975  33.304  1.00 52.27           C  
-ATOM   4580  C   SER C 159      92.677  65.479  33.026  1.00 52.37           C  
-ATOM   4581  O   SER C 159      93.586  65.647  33.864  1.00 52.61           O  
-ATOM   4582  CB  SER C 159      91.177  67.505  33.424  1.00 52.72           C  
-ATOM   4583  OG  SER C 159      89.822  67.947  33.598  1.00 52.45           O  
-ATOM   4584  N   ASP C 160      92.858  64.836  31.865  1.00 51.62           N  
-ATOM   4585  CA  ASP C 160      94.190  64.394  31.407  1.00 50.71           C  
-ATOM   4586  C   ASP C 160      94.759  65.478  30.496  1.00 49.53           C  
-ATOM   4587  O   ASP C 160      94.022  66.035  29.662  1.00 49.62           O  
-ATOM   4588  CB  ASP C 160      94.155  63.050  30.658  1.00 50.97           C  
-ATOM   4589  CG  ASP C 160      92.783  62.364  30.704  1.00 52.10           C  
-ATOM   4590  OD1 ASP C 160      91.760  63.012  30.352  1.00 52.70           O  
-ATOM   4591  OD2 ASP C 160      92.644  61.168  31.065  1.00 52.07           O  
-ATOM   4592  N   ASP C 161      96.059  65.761  30.654  1.00 47.46           N  
-ATOM   4593  CA  ASP C 161      96.695  66.956  30.073  1.00 45.25           C  
-ATOM   4594  C   ASP C 161      97.015  66.817  28.567  1.00 43.73           C  
-ATOM   4595  O   ASP C 161      96.371  67.445  27.717  1.00 42.50           O  
-ATOM   4596  CB  ASP C 161      97.940  67.381  30.889  1.00 45.39           C  
-ATOM   4597  CG  ASP C 161      97.693  67.399  32.423  1.00 45.52           C  
-ATOM   4598  OD1 ASP C 161      96.625  67.884  32.866  1.00 44.33           O  
-ATOM   4599  OD2 ASP C 161      98.520  66.945  33.261  1.00 45.23           O  
-ATOM   4600  N   SER C 162      97.982  65.959  28.252  1.00 41.61           N  
-ATOM   4601  CA  SER C 162      98.406  65.706  26.867  1.00 39.64           C  
-ATOM   4602  C   SER C 162      97.382  64.970  25.964  1.00 38.33           C  
-ATOM   4603  O   SER C 162      97.668  64.719  24.790  1.00 38.60           O  
-ATOM   4604  CB  SER C 162      99.752  64.949  26.875  1.00 39.50           C  
-ATOM   4605  OG  SER C 162     100.426  65.071  25.640  1.00 37.80           O  
-ATOM   4606  N   GLU C 163      96.202  64.646  26.493  1.00 36.06           N  
-ATOM   4607  CA  GLU C 163      95.290  63.695  25.841  1.00 34.29           C  
-ATOM   4608  C   GLU C 163      95.314  63.685  24.321  1.00 31.94           C  
-ATOM   4609  O   GLU C 163      95.641  62.665  23.707  1.00 30.80           O  
-ATOM   4610  CB  GLU C 163      93.840  63.875  26.322  1.00 35.40           C  
-ATOM   4611  CG  GLU C 163      93.316  62.676  27.101  1.00 38.22           C  
-ATOM   4612  CD  GLU C 163      92.384  61.771  26.295  1.00 42.75           C  
-ATOM   4613  OE1 GLU C 163      91.159  62.078  26.279  1.00 43.99           O  
-ATOM   4614  OE2 GLU C 163      92.862  60.751  25.701  1.00 42.25           O  
-ATOM   4615  N   TYR C 164      94.931  64.821  23.735  1.00 28.79           N  
-ATOM   4616  CA  TYR C 164      94.837  64.960  22.297  1.00 26.61           C  
-ATOM   4617  C   TYR C 164      95.906  65.863  21.707  1.00 24.59           C  
-ATOM   4618  O   TYR C 164      95.877  66.111  20.503  1.00 23.85           O  
-ATOM   4619  CB  TYR C 164      93.448  65.447  21.877  1.00 27.41           C  
-ATOM   4620  CG  TYR C 164      92.361  64.707  22.586  1.00 30.62           C  
-ATOM   4621  CD1 TYR C 164      92.088  63.382  22.260  1.00 32.99           C  
-ATOM   4622  CD2 TYR C 164      91.638  65.307  23.621  1.00 31.60           C  
-ATOM   4623  CE1 TYR C 164      91.121  62.665  22.940  1.00 35.74           C  
-ATOM   4624  CE2 TYR C 164      90.662  64.606  24.302  1.00 32.61           C  
-ATOM   4625  CZ  TYR C 164      90.393  63.283  23.946  1.00 35.78           C  
-ATOM   4626  OH  TYR C 164      89.433  62.532  24.612  1.00 36.70           O  
-ATOM   4627  N   PHE C 165      96.841  66.342  22.539  1.00 21.73           N  
-ATOM   4628  CA  PHE C 165      97.903  67.249  22.090  1.00 19.81           C  
-ATOM   4629  C   PHE C 165      98.751  66.624  20.973  1.00 18.79           C  
-ATOM   4630  O   PHE C 165      99.104  65.446  21.037  1.00 18.40           O  
-ATOM   4631  CB  PHE C 165      98.769  67.700  23.274  1.00 19.16           C  
-ATOM   4632  CG  PHE C 165      99.704  68.835  22.949  1.00 18.44           C  
-ATOM   4633  CD1 PHE C 165      99.225  70.136  22.852  1.00 17.38           C  
-ATOM   4634  CD2 PHE C 165     101.060  68.612  22.733  1.00 16.99           C  
-ATOM   4635  CE1 PHE C 165     100.083  71.199  22.565  1.00 17.96           C  
-ATOM   4636  CE2 PHE C 165     101.907  69.667  22.452  1.00 17.12           C  
-ATOM   4637  CZ  PHE C 165     101.428  70.963  22.364  1.00 16.91           C  
-ATOM   4638  N   SER C 166      99.073  67.422  19.960  1.00 17.69           N  
-ATOM   4639  CA  SER C 166      99.835  66.921  18.811  1.00 17.37           C  
-ATOM   4640  C   SER C 166     101.234  66.368  19.180  1.00 16.63           C  
-ATOM   4641  O   SER C 166     102.004  67.024  19.860  1.00 15.33           O  
-ATOM   4642  CB  SER C 166      99.964  68.013  17.745  1.00 17.01           C  
-ATOM   4643  OG  SER C 166     100.790  67.594  16.682  1.00 16.93           O  
-ATOM   4644  N   GLN C 167     101.541  65.167  18.709  1.00 16.74           N  
-ATOM   4645  CA  GLN C 167     102.869  64.580  18.893  1.00 17.40           C  
-ATOM   4646  C   GLN C 167     103.886  65.268  17.975  1.00 17.26           C  
-ATOM   4647  O   GLN C 167     105.084  65.049  18.093  1.00 16.94           O  
-ATOM   4648  CB  GLN C 167     102.847  63.066  18.624  1.00 17.88           C  
-ATOM   4649  CG  GLN C 167     102.647  62.703  17.162  1.00 19.43           C  
-ATOM   4650  CD  GLN C 167     102.447  61.222  16.945  1.00 22.33           C  
-ATOM   4651  OE1 GLN C 167     103.403  60.449  17.001  1.00 22.46           O  
-ATOM   4652  NE2 GLN C 167     101.201  60.824  16.693  1.00 22.12           N  
-ATOM   4653  N   TYR C 168     103.396  66.123  17.077  1.00 17.21           N  
-ATOM   4654  CA  TYR C 168     104.266  66.769  16.100  1.00 17.10           C  
-ATOM   4655  C   TYR C 168     104.624  68.203  16.480  1.00 16.66           C  
-ATOM   4656  O   TYR C 168     105.524  68.811  15.900  1.00 16.90           O  
-ATOM   4657  CB  TYR C 168     103.681  66.661  14.695  1.00 17.20           C  
-ATOM   4658  CG  TYR C 168     103.455  65.220  14.277  1.00 17.06           C  
-ATOM   4659  CD1 TYR C 168     104.489  64.293  14.303  1.00 16.83           C  
-ATOM   4660  CD2 TYR C 168     102.197  64.781  13.894  1.00 16.68           C  
-ATOM   4661  CE1 TYR C 168     104.279  62.975  13.935  1.00 17.63           C  
-ATOM   4662  CE2 TYR C 168     101.976  63.446  13.538  1.00 16.54           C  
-ATOM   4663  CZ  TYR C 168     103.026  62.553  13.556  1.00 17.45           C  
-ATOM   4664  OH  TYR C 168     102.816  61.234  13.190  1.00 18.81           O  
-ATOM   4665  N   SER C 169     103.955  68.727  17.495  1.00 15.96           N  
-ATOM   4666  CA  SER C 169     104.349  69.992  18.099  1.00 15.56           C  
-ATOM   4667  C   SER C 169     105.821  70.067  18.517  1.00 15.68           C  
-ATOM   4668  O   SER C 169     106.493  69.047  18.810  1.00 15.50           O  
-ATOM   4669  CB  SER C 169     103.471  70.293  19.303  1.00 15.69           C  
-ATOM   4670  OG  SER C 169     103.666  71.637  19.810  1.00 15.19           O  
-ATOM   4671  N   ARG C 170     106.332  71.284  18.523  1.00 15.73           N  
-ATOM   4672  CA  ARG C 170     107.695  71.562  18.968  1.00 16.44           C  
-ATOM   4673  C   ARG C 170     107.765  71.609  20.488  1.00 15.60           C  
-ATOM   4674  O   ARG C 170     108.855  71.625  21.080  1.00 15.04           O  
-ATOM   4675  CB  ARG C 170     108.122  72.918  18.468  1.00 16.85           C  
-ATOM   4676  CG  ARG C 170     109.113  72.893  17.359  1.00 20.10           C  
-ATOM   4677  CD  ARG C 170     109.530  74.304  16.966  1.00 23.95           C  
-ATOM   4678  NE  ARG C 170     108.350  75.177  16.899  1.00 26.78           N  
-ATOM   4679  CZ  ARG C 170     108.385  76.515  16.862  1.00 27.87           C  
-ATOM   4680  NH1 ARG C 170     109.569  77.152  16.870  1.00 25.41           N  
-ATOM   4681  NH2 ARG C 170     107.228  77.207  16.805  1.00 25.31           N  
-ATOM   4682  N   PHE C 171     106.587  71.655  21.099  1.00 14.02           N  
-ATOM   4683  CA  PHE C 171     106.408  71.784  22.535  1.00 13.69           C  
-ATOM   4684  C   PHE C 171     105.742  70.527  23.083  1.00 13.81           C  
-ATOM   4685  O   PHE C 171     105.075  69.782  22.348  1.00 13.29           O  
-ATOM   4686  CB  PHE C 171     105.541  73.027  22.819  1.00 12.76           C  
-ATOM   4687  CG  PHE C 171     106.131  74.305  22.252  1.00 14.18           C  
-ATOM   4688  CD1 PHE C 171     105.765  74.758  20.979  1.00 13.19           C  
-ATOM   4689  CD2 PHE C 171     107.101  75.018  22.963  1.00 14.31           C  
-ATOM   4690  CE1 PHE C 171     106.326  75.926  20.429  1.00 13.26           C  
-ATOM   4691  CE2 PHE C 171     107.657  76.181  22.426  1.00 16.45           C  
-ATOM   4692  CZ  PHE C 171     107.260  76.624  21.135  1.00 14.44           C  
-ATOM   4693  N   GLU C 172     105.912  70.320  24.379  1.00 15.36           N  
-ATOM   4694  CA  GLU C 172     105.221  69.261  25.109  1.00 16.75           C  
-ATOM   4695  C   GLU C 172     104.560  69.863  26.334  1.00 16.97           C  
-ATOM   4696  O   GLU C 172     105.028  70.871  26.878  1.00 17.03           O  
-ATOM   4697  CB  GLU C 172     106.179  68.133  25.509  1.00 16.98           C  
-ATOM   4698  CG  GLU C 172     107.388  68.571  26.331  1.00 18.71           C  
-ATOM   4699  CD  GLU C 172     108.343  67.422  26.648  1.00 22.46           C  
-ATOM   4700  OE1 GLU C 172     107.935  66.240  26.510  1.00 24.88           O  
-ATOM   4701  OE2 GLU C 172     109.502  67.694  27.017  1.00 22.47           O  
-ATOM   4702  N   ILE C 173     103.455  69.257  26.742  1.00 17.41           N  
-ATOM   4703  CA  ILE C 173     102.713  69.721  27.901  1.00 17.85           C  
-ATOM   4704  C   ILE C 173     103.147  68.944  29.136  1.00 18.36           C  
-ATOM   4705  O   ILE C 173     103.185  67.705  29.144  1.00 18.12           O  
-ATOM   4706  CB  ILE C 173     101.224  69.597  27.645  1.00 18.07           C  
-ATOM   4707  CG1 ILE C 173     100.812  70.630  26.575  1.00 18.38           C  
-ATOM   4708  CG2 ILE C 173     100.461  69.717  28.976  1.00 18.01           C  
-ATOM   4709  CD1 ILE C 173      99.371  70.537  26.161  1.00 20.44           C  
-ATOM   4710  N   LEU C 174     103.514  69.677  30.175  1.00 18.67           N  
-ATOM   4711  CA  LEU C 174     103.894  69.047  31.428  1.00 19.29           C  
-ATOM   4712  C   LEU C 174     102.693  68.852  32.341  1.00 19.60           C  
-ATOM   4713  O   LEU C 174     102.578  67.817  32.994  1.00 19.50           O  
-ATOM   4714  CB  LEU C 174     104.998  69.849  32.128  1.00 18.86           C  
-ATOM   4715  CG  LEU C 174     106.239  70.078  31.262  1.00 19.22           C  
-ATOM   4716  CD1 LEU C 174     107.242  71.011  31.936  1.00 19.33           C  
-ATOM   4717  CD2 LEU C 174     106.885  68.756  30.883  1.00 18.77           C  
-ATOM   4718  N   ASP C 175     101.817  69.858  32.381  1.00 20.04           N  
-ATOM   4719  CA  ASP C 175     100.669  69.889  33.289  1.00 21.03           C  
-ATOM   4720  C   ASP C 175      99.647  70.954  32.896  1.00 20.89           C  
-ATOM   4721  O   ASP C 175     100.003  72.001  32.388  1.00 20.42           O  
-ATOM   4722  CB  ASP C 175     101.140  70.197  34.713  1.00 21.82           C  
-ATOM   4723  CG  ASP C 175     100.311  69.502  35.769  1.00 24.27           C  
-ATOM   4724  OD1 ASP C 175      99.188  69.065  35.457  1.00 26.40           O  
-ATOM   4725  OD2 ASP C 175     100.714  69.339  36.937  1.00 27.85           O  
-ATOM   4726  N   VAL C 176      98.374  70.655  33.136  1.00 21.45           N  
-ATOM   4727  CA  VAL C 176      97.290  71.606  32.960  1.00 21.84           C  
-ATOM   4728  C   VAL C 176      96.503  71.589  34.256  1.00 22.82           C  
-ATOM   4729  O   VAL C 176      96.024  70.524  34.665  1.00 23.17           O  
-ATOM   4730  CB  VAL C 176      96.364  71.223  31.805  1.00 21.88           C  
-ATOM   4731  CG1 VAL C 176      95.237  72.298  31.611  1.00 21.05           C  
-ATOM   4732  CG2 VAL C 176      97.140  71.041  30.520  1.00 21.03           C  
-ATOM   4733  N   THR C 177      96.423  72.738  34.937  1.00 23.44           N  
-ATOM   4734  CA  THR C 177      95.547  72.895  36.119  1.00 23.82           C  
-ATOM   4735  C   THR C 177      94.509  73.999  35.935  1.00 23.55           C  
-ATOM   4736  O   THR C 177      94.747  74.972  35.209  1.00 22.94           O  
-ATOM   4737  CB  THR C 177      96.341  73.182  37.415  1.00 23.97           C  
-ATOM   4738  OG1 THR C 177      97.149  74.353  37.234  1.00 25.05           O  
-ATOM   4739  CG2 THR C 177      97.338  72.039  37.767  1.00 24.56           C  
-ATOM   4740  N   GLN C 178      93.379  73.850  36.628  1.00 23.15           N  
-ATOM   4741  CA  GLN C 178      92.369  74.902  36.649  1.00 24.02           C  
-ATOM   4742  C   GLN C 178      91.983  75.380  38.029  1.00 24.05           C  
-ATOM   4743  O   GLN C 178      92.061  74.649  39.024  1.00 24.01           O  
-ATOM   4744  CB  GLN C 178      91.112  74.502  35.890  1.00 24.26           C  
-ATOM   4745  CG  GLN C 178      90.970  73.043  35.640  1.00 27.54           C  
-ATOM   4746  CD  GLN C 178      91.026  72.779  34.168  1.00 32.26           C  
-ATOM   4747  OE1 GLN C 178      90.073  73.144  33.405  1.00 30.93           O  
-ATOM   4748  NE2 GLN C 178      92.148  72.177  33.727  1.00 30.59           N  
-ATOM   4749  N   LYS C 179      91.557  76.631  38.060  1.00 23.97           N  
-ATOM   4750  CA  LYS C 179      91.165  77.316  39.278  1.00 23.74           C  
-ATOM   4751  C   LYS C 179      90.000  78.239  38.900  1.00 23.53           C  
-ATOM   4752  O   LYS C 179      90.108  79.032  37.955  1.00 22.89           O  
-ATOM   4753  CB  LYS C 179      92.344  78.142  39.757  1.00 23.67           C  
-ATOM   4754  CG  LYS C 179      92.352  78.462  41.215  1.00 25.61           C  
-ATOM   4755  CD  LYS C 179      92.656  79.938  41.423  1.00 27.63           C  
-ATOM   4756  CE  LYS C 179      92.977  80.248  42.895  1.00 29.38           C  
-ATOM   4757  NZ  LYS C 179      94.410  80.651  43.102  1.00 29.47           N  
-ATOM   4758  N   LYS C 180      88.885  78.152  39.618  1.00 23.44           N  
-ATOM   4759  CA  LYS C 180      87.815  79.115  39.370  1.00 23.56           C  
-ATOM   4760  C   LYS C 180      87.978  80.336  40.261  1.00 21.83           C  
-ATOM   4761  O   LYS C 180      88.337  80.205  41.391  1.00 21.57           O  
-ATOM   4762  CB  LYS C 180      86.402  78.483  39.432  1.00 24.37           C  
-ATOM   4763  CG  LYS C 180      85.963  77.961  40.770  1.00 26.76           C  
-ATOM   4764  CD  LYS C 180      84.481  77.589  40.728  1.00 31.45           C  
-ATOM   4765  CE  LYS C 180      83.586  78.768  41.115  1.00 35.14           C  
-ATOM   4766  NZ  LYS C 180      82.384  78.903  40.214  1.00 35.97           N  
-ATOM   4767  N   ASN C 181      87.776  81.529  39.717  1.00 20.32           N  
-ATOM   4768  CA  ASN C 181      87.813  82.738  40.543  1.00 19.22           C  
-ATOM   4769  C   ASN C 181      86.506  83.487  40.444  1.00 17.93           C  
-ATOM   4770  O   ASN C 181      85.700  83.242  39.565  1.00 18.10           O  
-ATOM   4771  CB  ASN C 181      88.955  83.697  40.144  1.00 19.09           C  
-ATOM   4772  CG  ASN C 181      90.320  83.007  40.038  1.00 20.39           C  
-ATOM   4773  OD1 ASN C 181      91.111  83.021  40.974  1.00 19.99           O  
-ATOM   4774  ND2 ASN C 181      90.609  82.447  38.863  1.00 22.45           N  
-ATOM   4775  N   SER C 182      86.337  84.432  41.349  1.00 17.25           N  
-ATOM   4776  CA  SER C 182      85.199  85.324  41.397  1.00 16.55           C  
-ATOM   4777  C   SER C 182      85.775  86.741  41.551  1.00 15.61           C  
-ATOM   4778  O   SER C 182      86.330  87.069  42.616  1.00 14.59           O  
-ATOM   4779  CB  SER C 182      84.354  84.963  42.618  1.00 16.66           C  
-ATOM   4780  OG  SER C 182      82.975  85.048  42.323  1.00 19.21           O  
-ATOM   4781  N   VAL C 183      85.662  87.564  40.507  1.00 14.14           N  
-ATOM   4782  CA  VAL C 183      86.289  88.902  40.503  1.00 13.60           C  
-ATOM   4783  C   VAL C 183      85.284  90.072  40.381  1.00 13.36           C  
-ATOM   4784  O   VAL C 183      84.302  90.037  39.604  1.00 12.24           O  
-ATOM   4785  CB  VAL C 183      87.420  89.044  39.398  1.00 14.15           C  
-ATOM   4786  CG1 VAL C 183      88.198  90.369  39.545  1.00 14.36           C  
-ATOM   4787  CG2 VAL C 183      88.443  87.835  39.407  1.00 13.91           C  
-ATOM   4788  N   THR C 184      85.549  91.103  41.156  1.00 12.51           N  
-ATOM   4789  CA  THR C 184      84.820  92.371  41.081  1.00 13.69           C  
-ATOM   4790  C   THR C 184      85.690  93.435  40.338  1.00 13.88           C  
-ATOM   4791  O   THR C 184      86.800  93.752  40.788  1.00 13.67           O  
-ATOM   4792  CB  THR C 184      84.432  92.791  42.536  1.00 14.17           C  
-ATOM   4793  OG1 THR C 184      83.431  91.879  43.035  1.00 13.59           O  
-ATOM   4794  CG2 THR C 184      83.758  94.173  42.606  1.00 13.68           C  
-ATOM   4795  N   TYR C 185      85.216  93.923  39.182  1.00 14.10           N  
-ATOM   4796  CA  TYR C 185      85.903  94.992  38.411  1.00 14.37           C  
-ATOM   4797  C   TYR C 185      85.293  96.387  38.715  1.00 15.96           C  
-ATOM   4798  O   TYR C 185      84.139  96.483  39.144  1.00 15.21           O  
-ATOM   4799  CB  TYR C 185      85.874  94.705  36.904  1.00 14.62           C  
-ATOM   4800  CG  TYR C 185      86.299  93.281  36.547  1.00 12.43           C  
-ATOM   4801  CD1 TYR C 185      87.628  92.972  36.285  1.00 13.98           C  
-ATOM   4802  CD2 TYR C 185      85.373  92.255  36.512  1.00 11.64           C  
-ATOM   4803  CE1 TYR C 185      88.032  91.640  35.954  1.00 17.74           C  
-ATOM   4804  CE2 TYR C 185      85.748  90.939  36.197  1.00 12.83           C  
-ATOM   4805  CZ  TYR C 185      87.079  90.639  35.936  1.00 16.78           C  
-ATOM   4806  OH  TYR C 185      87.444  89.332  35.649  1.00 21.42           O  
-ATOM   4807  N   SER C 186      86.063  97.449  38.488  1.00 16.73           N  
-ATOM   4808  CA  SER C 186      85.603  98.814  38.765  1.00 18.79           C  
-ATOM   4809  C   SER C 186      84.443  99.260  37.873  1.00 19.59           C  
-ATOM   4810  O   SER C 186      83.683 100.135  38.246  1.00 19.79           O  
-ATOM   4811  CB  SER C 186      86.764  99.785  38.624  1.00 18.90           C  
-ATOM   4812  OG  SER C 186      87.894  99.297  39.326  1.00 20.72           O  
-ATOM   4813  N   CYS C 187      84.285  98.657  36.704  1.00 20.54           N  
-ATOM   4814  CA  CYS C 187      83.196  99.069  35.818  1.00 22.35           C  
-ATOM   4815  C   CYS C 187      81.854  98.846  36.482  1.00 22.43           C  
-ATOM   4816  O   CYS C 187      80.903  99.613  36.281  1.00 22.87           O  
-ATOM   4817  CB  CYS C 187      83.199  98.234  34.548  1.00 22.84           C  
-ATOM   4818  SG  CYS C 187      82.713  96.516  34.850  1.00 26.20           S  
-ATOM   4819  N   CYS C 188      81.791  97.771  37.268  1.00 22.74           N  
-ATOM   4820  CA  CYS C 188      80.528  97.189  37.720  1.00 22.96           C  
-ATOM   4821  C   CYS C 188      80.567  96.714  39.175  1.00 21.98           C  
-ATOM   4822  O   CYS C 188      81.628  96.325  39.689  1.00 22.25           O  
-ATOM   4823  CB  CYS C 188      80.148  96.044  36.792  1.00 22.73           C  
-ATOM   4824  SG  CYS C 188      80.672  96.340  35.079  1.00 26.70           S  
-ATOM   4825  N   PRO C 189      79.418  96.759  39.842  1.00 20.69           N  
-ATOM   4826  CA  PRO C 189      79.361  96.428  41.271  1.00 20.37           C  
-ATOM   4827  C   PRO C 189      79.267  94.915  41.574  1.00 19.56           C  
-ATOM   4828  O   PRO C 189      79.525  94.491  42.698  1.00 19.48           O  
-ATOM   4829  CB  PRO C 189      78.108  97.187  41.740  1.00 20.51           C  
-ATOM   4830  CG  PRO C 189      77.169  97.125  40.486  1.00 20.80           C  
-ATOM   4831  CD  PRO C 189      78.102  97.160  39.301  1.00 20.22           C  
-ATOM   4832  N   GLU C 190      78.937  94.105  40.580  1.00 19.05           N  
-ATOM   4833  CA  GLU C 190      78.769  92.663  40.807  1.00 18.50           C  
-ATOM   4834  C   GLU C 190      80.050  91.888  40.505  1.00 17.90           C  
-ATOM   4835  O   GLU C 190      80.930  92.351  39.757  1.00 17.36           O  
-ATOM   4836  CB  GLU C 190      77.583  92.120  39.996  1.00 18.51           C  
-ATOM   4837  CG  GLU C 190      76.252  91.974  40.753  1.00 22.21           C  
-ATOM   4838  CD  GLU C 190      76.291  90.914  41.877  1.00 28.31           C  
-ATOM   4839  OE1 GLU C 190      76.737  89.749  41.635  1.00 29.66           O  
-ATOM   4840  OE2 GLU C 190      75.890  91.246  43.028  1.00 29.22           O  
-ATOM   4841  N   ALA C 191      80.154  90.705  41.101  1.00 16.99           N  
-ATOM   4842  CA  ALA C 191      81.285  89.810  40.863  1.00 16.04           C  
-ATOM   4843  C   ALA C 191      81.065  88.965  39.621  1.00 15.57           C  
-ATOM   4844  O   ALA C 191      79.946  88.512  39.369  1.00 14.78           O  
-ATOM   4845  CB  ALA C 191      81.509  88.927  42.066  1.00 16.06           C  
-ATOM   4846  N   TYR C 192      82.136  88.752  38.848  1.00 15.36           N  
-ATOM   4847  CA  TYR C 192      82.084  87.954  37.635  1.00 15.74           C  
-ATOM   4848  C   TYR C 192      82.983  86.766  37.808  1.00 16.50           C  
-ATOM   4849  O   TYR C 192      84.117  86.913  38.236  1.00 16.80           O  
-ATOM   4850  CB  TYR C 192      82.571  88.764  36.426  1.00 15.15           C  
-ATOM   4851  CG  TYR C 192      81.611  89.867  36.054  1.00 15.72           C  
-ATOM   4852  CD1 TYR C 192      81.654  91.091  36.721  1.00 15.46           C  
-ATOM   4853  CD2 TYR C 192      80.646  89.678  35.081  1.00 14.51           C  
-ATOM   4854  CE1 TYR C 192      80.772  92.090  36.417  1.00 16.41           C  
-ATOM   4855  CE2 TYR C 192      79.767  90.667  34.760  1.00 15.49           C  
-ATOM   4856  CZ  TYR C 192      79.837  91.883  35.430  1.00 15.83           C  
-ATOM   4857  OH  TYR C 192      78.961  92.887  35.150  1.00 17.26           O  
-ATOM   4858  N   GLU C 193      82.510  85.597  37.411  1.00 17.09           N  
-ATOM   4859  CA  GLU C 193      83.288  84.388  37.616  1.00 17.71           C  
-ATOM   4860  C   GLU C 193      84.168  84.077  36.423  1.00 18.35           C  
-ATOM   4861  O   GLU C 193      83.821  84.361  35.266  1.00 17.55           O  
-ATOM   4862  CB  GLU C 193      82.383  83.206  37.955  1.00 17.63           C  
-ATOM   4863  CG  GLU C 193      81.651  83.357  39.274  1.00 17.71           C  
-ATOM   4864  CD  GLU C 193      80.961  82.083  39.720  1.00 19.65           C  
-ATOM   4865  OE1 GLU C 193      81.127  81.020  39.056  1.00 19.77           O  
-ATOM   4866  OE2 GLU C 193      80.274  82.136  40.750  1.00 21.22           O  
-ATOM   4867  N   ASP C 194      85.319  83.493  36.713  1.00 18.84           N  
-ATOM   4868  CA  ASP C 194      86.182  83.029  35.661  1.00 20.05           C  
-ATOM   4869  C   ASP C 194      86.819  81.682  36.006  1.00 19.72           C  
-ATOM   4870  O   ASP C 194      86.901  81.283  37.177  1.00 19.08           O  
-ATOM   4871  CB  ASP C 194      87.247  84.075  35.289  1.00 20.42           C  
-ATOM   4872  CG  ASP C 194      88.252  84.294  36.368  1.00 24.50           C  
-ATOM   4873  OD1 ASP C 194      89.058  83.367  36.613  1.00 27.95           O  
-ATOM   4874  OD2 ASP C 194      88.335  85.375  37.029  1.00 29.34           O  
-ATOM   4875  N   VAL C 195      87.265  80.986  34.977  1.00 18.88           N  
-ATOM   4876  CA  VAL C 195      88.201  79.893  35.181  1.00 19.43           C  
-ATOM   4877  C   VAL C 195      89.566  80.278  34.649  1.00 18.69           C  
-ATOM   4878  O   VAL C 195      89.683  80.810  33.544  1.00 18.71           O  
-ATOM   4879  CB  VAL C 195      87.707  78.596  34.543  1.00 19.57           C  
-ATOM   4880  CG1 VAL C 195      88.783  77.503  34.677  1.00 20.71           C  
-ATOM   4881  CG2 VAL C 195      86.443  78.138  35.256  1.00 20.27           C  
-ATOM   4882  N   GLU C 196      90.587  80.037  35.450  1.00 18.41           N  
-ATOM   4883  CA  GLU C 196      91.968  80.255  35.041  1.00 18.98           C  
-ATOM   4884  C   GLU C 196      92.589  78.927  34.709  1.00 18.36           C  
-ATOM   4885  O   GLU C 196      92.708  78.053  35.580  1.00 18.43           O  
-ATOM   4886  CB  GLU C 196      92.788  80.991  36.125  1.00 18.90           C  
-ATOM   4887  CG  GLU C 196      92.699  82.514  36.019  1.00 23.03           C  
-ATOM   4888  CD  GLU C 196      93.363  83.290  37.164  1.00 27.94           C  
-ATOM   4889  OE1 GLU C 196      93.995  82.675  38.087  1.00 28.48           O  
-ATOM   4890  OE2 GLU C 196      93.234  84.543  37.140  1.00 28.58           O  
-ATOM   4891  N   VAL C 197      92.988  78.781  33.452  1.00 17.70           N  
-ATOM   4892  CA  VAL C 197      93.631  77.546  32.988  1.00 17.40           C  
-ATOM   4893  C   VAL C 197      95.146  77.725  32.881  1.00 16.94           C  
-ATOM   4894  O   VAL C 197      95.650  78.520  32.073  1.00 16.75           O  
-ATOM   4895  CB  VAL C 197      93.031  77.068  31.661  1.00 17.46           C  
-ATOM   4896  CG1 VAL C 197      93.716  75.794  31.176  1.00 17.13           C  
-ATOM   4897  CG2 VAL C 197      91.526  76.818  31.812  1.00 17.82           C  
-ATOM   4898  N   SER C 198      95.877  76.983  33.699  1.00 16.78           N  
-ATOM   4899  CA  SER C 198      97.343  77.085  33.714  1.00 17.04           C  
-ATOM   4900  C   SER C 198      97.978  75.989  32.901  1.00 16.78           C  
-ATOM   4901  O   SER C 198      97.936  74.816  33.290  1.00 16.58           O  
-ATOM   4902  CB  SER C 198      97.858  77.081  35.146  1.00 17.16           C  
-ATOM   4903  OG  SER C 198      97.365  78.239  35.803  1.00 19.17           O  
-ATOM   4904  N   LEU C 199      98.555  76.376  31.763  1.00 16.45           N  
-ATOM   4905  CA  LEU C 199      99.245  75.473  30.849  1.00 16.33           C  
-ATOM   4906  C   LEU C 199     100.748  75.503  31.123  1.00 16.11           C  
-ATOM   4907  O   LEU C 199     101.417  76.493  30.849  1.00 16.06           O  
-ATOM   4908  CB  LEU C 199      98.948  75.866  29.408  1.00 16.77           C  
-ATOM   4909  CG  LEU C 199      99.698  75.158  28.271  1.00 17.90           C  
-ATOM   4910  CD1 LEU C 199      99.266  73.714  28.172  1.00 18.24           C  
-ATOM   4911  CD2 LEU C 199      99.420  75.900  26.965  1.00 18.65           C  
-ATOM   4912  N   ASN C 200     101.255  74.413  31.688  1.00 15.68           N  
-ATOM   4913  CA  ASN C 200     102.686  74.222  31.945  1.00 15.44           C  
-ATOM   4914  C   ASN C 200     103.282  73.446  30.775  1.00 14.68           C  
-ATOM   4915  O   ASN C 200     102.914  72.304  30.534  1.00 14.53           O  
-ATOM   4916  CB  ASN C 200     102.909  73.485  33.290  1.00 15.47           C  
-ATOM   4917  CG  ASN C 200     104.404  73.374  33.700  1.00 16.99           C  
-ATOM   4918  OD1 ASN C 200     104.785  72.451  34.415  1.00 17.22           O  
-ATOM   4919  ND2 ASN C 200     105.230  74.338  33.276  1.00 17.92           N  
-ATOM   4920  N   PHE C 201     104.175  74.083  30.030  1.00 13.78           N  
-ATOM   4921  CA  PHE C 201     104.688  73.502  28.802  1.00 13.59           C  
-ATOM   4922  C   PHE C 201     106.151  73.909  28.584  1.00 13.17           C  
-ATOM   4923  O   PHE C 201     106.640  74.866  29.195  1.00 13.19           O  
-ATOM   4924  CB  PHE C 201     103.798  73.895  27.617  1.00 13.65           C  
-ATOM   4925  CG  PHE C 201     103.967  75.312  27.186  1.00 15.01           C  
-ATOM   4926  CD1 PHE C 201     103.407  76.350  27.914  1.00 14.91           C  
-ATOM   4927  CD2 PHE C 201     104.706  75.619  26.036  1.00 15.89           C  
-ATOM   4928  CE1 PHE C 201     103.578  77.687  27.511  1.00 15.84           C  
-ATOM   4929  CE2 PHE C 201     104.862  76.968  25.623  1.00 16.08           C  
-ATOM   4930  CZ  PHE C 201     104.304  77.986  26.371  1.00 15.90           C  
-ATOM   4931  N   ARG C 202     106.853  73.184  27.729  1.00 12.79           N  
-ATOM   4932  CA  ARG C 202     108.232  73.499  27.433  1.00 13.03           C  
-ATOM   4933  C   ARG C 202     108.571  73.059  26.016  1.00 13.68           C  
-ATOM   4934  O   ARG C 202     107.871  72.240  25.406  1.00 12.28           O  
-ATOM   4935  CB  ARG C 202     109.186  72.807  28.431  1.00 13.72           C  
-ATOM   4936  CG  ARG C 202     109.215  71.286  28.340  1.00 12.16           C  
-ATOM   4937  CD  ARG C 202     110.210  70.601  29.296  1.00 15.21           C  
-ATOM   4938  NE  ARG C 202     110.163  69.154  29.129  1.00 16.24           N  
-ATOM   4939  CZ  ARG C 202     110.525  68.264  30.046  1.00 20.49           C  
-ATOM   4940  NH1 ARG C 202     110.974  68.661  31.234  1.00 21.98           N  
-ATOM   4941  NH2 ARG C 202     110.439  66.965  29.779  1.00 18.50           N  
-ATOM   4942  N   LYS C 203     109.663  73.604  25.505  1.00 14.04           N  
-ATOM   4943  CA  LYS C 203     110.153  73.177  24.222  1.00 15.09           C  
-ATOM   4944  C   LYS C 203     110.806  71.800  24.400  1.00 15.15           C  
-ATOM   4945  O   LYS C 203     111.518  71.558  25.397  1.00 14.34           O  
-ATOM   4946  CB  LYS C 203     111.130  74.219  23.674  1.00 15.81           C  
-ATOM   4947  CG  LYS C 203     111.766  73.896  22.302  1.00 18.58           C  
-ATOM   4948  CD  LYS C 203     111.172  74.776  21.197  1.00 22.41           C  
-ATOM   4949  CE  LYS C 203     112.051  76.005  20.925  1.00 24.68           C  
-ATOM   4950  NZ  LYS C 203     112.342  76.794  22.177  1.00 26.68           N  
-ATOM   4951  N   LYS C 204     110.524  70.904  23.449  1.00 15.05           N  
-ATOM   4952  CA  LYS C 204     111.185  69.608  23.349  1.00 15.82           C  
-ATOM   4953  C   LYS C 204     112.694  69.776  23.178  1.00 16.44           C  
-ATOM   4954  O   LYS C 204     113.140  70.789  22.636  1.00 17.19           O  
-ATOM   4955  CB  LYS C 204     110.639  68.839  22.162  1.00 15.52           C  
-ATOM   4956  CG  LYS C 204     109.272  68.300  22.380  1.00 15.38           C  
-ATOM   4957  CD  LYS C 204     108.751  67.755  21.085  1.00 15.25           C  
-ATOM   4958  CE  LYS C 204     107.487  66.988  21.297  1.00 14.56           C  
-ATOM   4959  NZ  LYS C 204     106.951  66.561  19.969  1.00 17.95           N  
-ATOM   4960  N   GLY C 205     113.472  68.783  23.629  1.00 17.04           N  
-ATOM   4961  CA  GLY C 205     114.926  68.799  23.506  1.00 16.39           C  
-ATOM   4962  C   GLY C 205     115.619  68.464  24.811  1.00 16.51           C  
-ATOM   4963  O   GLY C 205     115.087  68.531  25.890  1.00 20.00           O  
-TER    4964      GLY C 205                                                      
-ATOM   4965  N   GLU D   0      54.660  92.329  35.503  1.00 24.12           N  
-ATOM   4966  CA  GLU D   0      55.844  91.442  35.684  1.00 25.09           C  
-ATOM   4967  C   GLU D   0      56.382  90.963  34.344  1.00 24.78           C  
-ATOM   4968  O   GLU D   0      55.640  90.456  33.505  1.00 25.71           O  
-ATOM   4969  CB  GLU D   0      55.505  90.235  36.561  1.00 25.88           C  
-ATOM   4970  CG  GLU D   0      56.107  88.922  36.072  1.00 27.59           C  
-ATOM   4971  CD  GLU D   0      56.635  88.038  37.194  1.00 31.21           C  
-ATOM   4972  OE1 GLU D   0      55.802  87.452  37.939  1.00 32.46           O  
-ATOM   4973  OE2 GLU D   0      57.881  87.904  37.312  1.00 32.54           O  
-ATOM   4974  N   PHE D   1      57.676  91.139  34.133  1.00 23.20           N  
-ATOM   4975  CA  PHE D   1      58.301  90.633  32.919  1.00 22.65           C  
-ATOM   4976  C   PHE D   1      59.409  89.700  33.338  1.00 21.99           C  
-ATOM   4977  O   PHE D   1      60.048  89.926  34.385  1.00 22.10           O  
-ATOM   4978  CB  PHE D   1      58.919  91.761  32.091  1.00 22.44           C  
-ATOM   4979  CG  PHE D   1      58.006  92.923  31.861  1.00 24.54           C  
-ATOM   4980  CD1 PHE D   1      56.941  92.820  30.961  1.00 26.27           C  
-ATOM   4981  CD2 PHE D   1      58.213  94.137  32.531  1.00 25.76           C  
-ATOM   4982  CE1 PHE D   1      56.078  93.910  30.734  1.00 27.92           C  
-ATOM   4983  CE2 PHE D   1      57.372  95.231  32.321  1.00 26.83           C  
-ATOM   4984  CZ  PHE D   1      56.296  95.125  31.413  1.00 28.27           C  
-ATOM   4985  N   ASP D   2      59.641  88.654  32.548  1.00 20.81           N  
-ATOM   4986  CA  ASP D   2      60.868  87.891  32.715  1.00 20.27           C  
-ATOM   4987  C   ASP D   2      61.890  88.354  31.659  1.00 19.38           C  
-ATOM   4988  O   ASP D   2      61.600  89.214  30.814  1.00 18.84           O  
-ATOM   4989  CB  ASP D   2      60.601  86.369  32.687  1.00 20.88           C  
-ATOM   4990  CG  ASP D   2      60.011  85.888  31.346  1.00 22.07           C  
-ATOM   4991  OD1 ASP D   2      60.081  86.636  30.332  1.00 22.65           O  
-ATOM   4992  OD2 ASP D   2      59.440  84.776  31.210  1.00 23.86           O  
-ATOM   4993  N   ARG D   3      63.088  87.797  31.708  1.00 18.58           N  
-ATOM   4994  CA  ARG D   3      64.140  88.205  30.782  1.00 17.86           C  
-ATOM   4995  C   ARG D   3      63.685  88.039  29.343  1.00 17.20           C  
-ATOM   4996  O   ARG D   3      63.924  88.917  28.509  1.00 17.25           O  
-ATOM   4997  CB  ARG D   3      65.411  87.398  31.026  1.00 18.10           C  
-ATOM   4998  CG  ARG D   3      66.299  87.966  32.096  1.00 18.81           C  
-ATOM   4999  CD  ARG D   3      67.296  86.949  32.704  1.00 19.42           C  
-ATOM   5000  NE  ARG D   3      68.112  87.595  33.711  1.00 21.93           N  
-ATOM   5001  CZ  ARG D   3      67.886  87.557  35.014  1.00 25.73           C  
-ATOM   5002  NH1 ARG D   3      66.860  86.844  35.513  1.00 27.33           N  
-ATOM   5003  NH2 ARG D   3      68.705  88.230  35.831  1.00 26.10           N  
-ATOM   5004  N   ALA D   4      63.014  86.926  29.050  1.00 16.28           N  
-ATOM   5005  CA  ALA D   4      62.536  86.666  27.704  1.00 15.75           C  
-ATOM   5006  C   ALA D   4      61.617  87.792  27.199  1.00 15.63           C  
-ATOM   5007  O   ALA D   4      61.756  88.244  26.043  1.00 14.79           O  
-ATOM   5008  CB  ALA D   4      61.860  85.311  27.632  1.00 15.29           C  
-ATOM   5009  N   ASP D   5      60.707  88.256  28.069  1.00 15.64           N  
-ATOM   5010  CA  ASP D   5      59.775  89.345  27.731  1.00 16.42           C  
-ATOM   5011  C   ASP D   5      60.533  90.677  27.449  1.00 15.91           C  
-ATOM   5012  O   ASP D   5      60.308  91.337  26.423  1.00 15.51           O  
-ATOM   5013  CB  ASP D   5      58.772  89.559  28.861  1.00 17.15           C  
-ATOM   5014  CG  ASP D   5      57.835  88.381  29.059  1.00 20.81           C  
-ATOM   5015  OD1 ASP D   5      57.584  87.634  28.079  1.00 24.24           O  
-ATOM   5016  OD2 ASP D   5      57.302  88.116  30.169  1.00 24.92           O  
-ATOM   5017  N   ILE D   6      61.438  91.038  28.362  1.00 15.17           N  
-ATOM   5018  CA  ILE D   6      62.240  92.242  28.228  1.00 14.78           C  
-ATOM   5019  C   ILE D   6      62.983  92.227  26.887  1.00 14.78           C  
-ATOM   5020  O   ILE D   6      62.925  93.198  26.113  1.00 13.86           O  
-ATOM   5021  CB  ILE D   6      63.237  92.407  29.431  1.00 14.79           C  
-ATOM   5022  CG1 ILE D   6      62.486  92.610  30.766  1.00 14.09           C  
-ATOM   5023  CG2 ILE D   6      64.176  93.619  29.210  1.00 14.17           C  
-ATOM   5024  CD1 ILE D   6      63.342  92.250  32.010  1.00 13.03           C  
-ATOM   5025  N   LEU D   7      63.631  91.106  26.601  1.00 15.07           N  
-ATOM   5026  CA  LEU D   7      64.444  90.975  25.400  1.00 15.88           C  
-ATOM   5027  C   LEU D   7      63.605  90.951  24.121  1.00 15.66           C  
-ATOM   5028  O   LEU D   7      64.009  91.518  23.115  1.00 15.06           O  
-ATOM   5029  CB  LEU D   7      65.391  89.772  25.488  1.00 16.06           C  
-ATOM   5030  CG  LEU D   7      66.557  90.022  26.446  1.00 17.52           C  
-ATOM   5031  CD1 LEU D   7      67.148  88.706  26.962  1.00 19.08           C  
-ATOM   5032  CD2 LEU D   7      67.621  90.844  25.787  1.00 19.30           C  
-ATOM   5033  N   TYR D   8      62.456  90.304  24.172  1.00 15.48           N  
-ATOM   5034  CA  TYR D   8      61.498  90.365  23.090  1.00 16.73           C  
-ATOM   5035  C   TYR D   8      61.011  91.823  22.825  1.00 16.55           C  
-ATOM   5036  O   TYR D   8      61.029  92.301  21.694  1.00 16.05           O  
-ATOM   5037  CB  TYR D   8      60.302  89.476  23.416  1.00 17.41           C  
-ATOM   5038  CG  TYR D   8      59.215  89.463  22.368  1.00 20.86           C  
-ATOM   5039  CD1 TYR D   8      59.402  88.828  21.137  1.00 24.36           C  
-ATOM   5040  CD2 TYR D   8      57.992  90.070  22.615  1.00 23.19           C  
-ATOM   5041  CE1 TYR D   8      58.390  88.795  20.184  1.00 26.05           C  
-ATOM   5042  CE2 TYR D   8      56.975  90.046  21.683  1.00 25.49           C  
-ATOM   5043  CZ  TYR D   8      57.173  89.419  20.468  1.00 26.98           C  
-ATOM   5044  OH  TYR D   8      56.135  89.413  19.545  1.00 28.51           O  
-ATOM   5045  N   ASN D   9      60.602  92.519  23.877  1.00 16.23           N  
-ATOM   5046  CA  ASN D   9      60.125  93.881  23.724  1.00 16.62           C  
-ATOM   5047  C   ASN D   9      61.206  94.784  23.169  1.00 16.32           C  
-ATOM   5048  O   ASN D   9      60.916  95.619  22.331  1.00 15.77           O  
-ATOM   5049  CB  ASN D   9      59.532  94.413  25.028  1.00 16.60           C  
-ATOM   5050  CG  ASN D   9      58.255  93.666  25.433  1.00 18.17           C  
-ATOM   5051  OD1 ASN D   9      57.627  93.029  24.614  1.00 19.47           O  
-ATOM   5052  ND2 ASN D   9      57.888  93.741  26.691  1.00 17.64           N  
-ATOM   5053  N   ILE D  10      62.460  94.578  23.585  1.00 16.35           N  
-ATOM   5054  CA  ILE D  10      63.554  95.411  23.100  1.00 16.38           C  
-ATOM   5055  C   ILE D  10      63.813  95.091  21.621  1.00 17.63           C  
-ATOM   5056  O   ILE D  10      63.965  96.005  20.791  1.00 16.74           O  
-ATOM   5057  CB  ILE D  10      64.855  95.218  23.947  1.00 16.74           C  
-ATOM   5058  CG1 ILE D  10      64.762  95.947  25.291  1.00 15.21           C  
-ATOM   5059  CG2 ILE D  10      66.099  95.690  23.194  1.00 15.54           C  
-ATOM   5060  CD1 ILE D  10      65.819  95.490  26.282  1.00 13.56           C  
-ATOM   5061  N   ARG D  11      63.852  93.809  21.273  1.00 18.85           N  
-ATOM   5062  CA  ARG D  11      64.121  93.457  19.892  1.00 20.62           C  
-ATOM   5063  C   ARG D  11      63.047  94.065  18.988  1.00 21.00           C  
-ATOM   5064  O   ARG D  11      63.352  94.644  17.955  1.00 19.62           O  
-ATOM   5065  CB  ARG D  11      64.191  91.949  19.739  1.00 21.35           C  
-ATOM   5066  CG  ARG D  11      64.702  91.477  18.389  1.00 26.15           C  
-ATOM   5067  CD  ARG D  11      64.860  89.957  18.335  1.00 33.80           C  
-ATOM   5068  NE  ARG D  11      65.765  89.546  17.261  1.00 42.00           N  
-ATOM   5069  CZ  ARG D  11      65.376  89.122  16.046  1.00 44.99           C  
-ATOM   5070  NH1 ARG D  11      64.077  89.037  15.724  1.00 44.00           N  
-ATOM   5071  NH2 ARG D  11      66.303  88.782  15.148  1.00 45.81           N  
-ATOM   5072  N   GLN D  12      61.783  93.970  19.412  1.00 21.71           N  
-ATOM   5073  CA  GLN D  12      60.684  94.509  18.596  1.00 21.82           C  
-ATOM   5074  C   GLN D  12      60.605  96.051  18.485  1.00 22.37           C  
-ATOM   5075  O   GLN D  12      59.940  96.554  17.578  1.00 22.40           O  
-ATOM   5076  CB  GLN D  12      59.332  93.966  19.080  1.00 21.77           C  
-ATOM   5077  CG  GLN D  12      59.233  92.457  19.168  1.00 21.43           C  
-ATOM   5078  CD  GLN D  12      59.183  91.804  17.817  1.00 21.95           C  
-ATOM   5079  OE1 GLN D  12      58.122  91.729  17.204  1.00 24.32           O  
-ATOM   5080  NE2 GLN D  12      60.322  91.332  17.341  1.00 23.37           N  
-ATOM   5081  N   THR D  13      61.257  96.805  19.373  1.00 22.46           N  
-ATOM   5082  CA  THR D  13      60.962  98.250  19.454  1.00 22.76           C  
-ATOM   5083  C   THR D  13      62.123  99.227  19.610  1.00 23.81           C  
-ATOM   5084  O   THR D  13      61.928 100.452  19.519  1.00 23.89           O  
-ATOM   5085  CB  THR D  13      60.006  98.520  20.605  1.00 22.48           C  
-ATOM   5086  OG1 THR D  13      60.676  98.212  21.842  1.00 22.69           O  
-ATOM   5087  CG2 THR D  13      58.762  97.574  20.555  1.00 20.25           C  
-ATOM   5088  N   SER D  14      63.308  98.717  19.939  1.00 25.12           N  
-ATOM   5089  CA  SER D  14      64.485  99.560  19.917  1.00 26.63           C  
-ATOM   5090  C   SER D  14      64.744  99.822  18.431  1.00 26.89           C  
-ATOM   5091  O   SER D  14      64.648  98.907  17.553  1.00 28.02           O  
-ATOM   5092  CB  SER D  14      65.687  98.873  20.533  1.00 26.38           C  
-ATOM   5093  OG  SER D  14      66.060  97.823  19.671  1.00 30.72           O  
-ATOM   5094  N   ARG D  15      65.041 101.075  18.141  1.00 25.62           N  
-ATOM   5095  CA  ARG D  15      65.280 101.440  16.770  1.00 23.46           C  
-ATOM   5096  C   ARG D  15      66.785 101.684  16.666  1.00 21.33           C  
-ATOM   5097  O   ARG D  15      67.271 102.759  16.949  1.00 21.47           O  
-ATOM   5098  CB  ARG D  15      64.412 102.624  16.424  1.00 23.25           C  
-ATOM   5099  CG  ARG D  15      62.948 102.375  16.750  1.00 24.57           C  
-ATOM   5100  CD  ARG D  15      62.014 102.457  15.570  1.00 26.80           C  
-ATOM   5101  NE  ARG D  15      62.673 103.008  14.376  1.00 30.19           N  
-ATOM   5102  CZ  ARG D  15      62.190 104.012  13.636  1.00 27.94           C  
-ATOM   5103  NH1 ARG D  15      61.031 104.574  13.960  1.00 29.67           N  
-ATOM   5104  NH2 ARG D  15      62.866 104.462  12.578  1.00 22.90           N  
-ATOM   5105  N   PRO D  16      67.513 100.643  16.306  1.00 19.91           N  
-ATOM   5106  CA  PRO D  16      68.981 100.667  16.322  1.00 18.91           C  
-ATOM   5107  C   PRO D  16      69.597 101.707  15.374  1.00 18.60           C  
-ATOM   5108  O   PRO D  16      70.748 102.078  15.613  1.00 17.29           O  
-ATOM   5109  CB  PRO D  16      69.370  99.237  15.916  1.00 18.40           C  
-ATOM   5110  CG  PRO D  16      68.163  98.689  15.188  1.00 18.40           C  
-ATOM   5111  CD  PRO D  16      66.983  99.346  15.837  1.00 20.07           C  
-ATOM   5112  N   ASP D  17      68.862 102.168  14.354  1.00 18.67           N  
-ATOM   5113  CA  ASP D  17      69.386 103.232  13.511  1.00 19.42           C  
-ATOM   5114  C   ASP D  17      69.002 104.650  13.971  1.00 18.58           C  
-ATOM   5115  O   ASP D  17      69.393 105.620  13.342  1.00 17.89           O  
-ATOM   5116  CB  ASP D  17      69.052 102.987  12.031  1.00 20.36           C  
-ATOM   5117  CG  ASP D  17      67.565 103.076  11.724  1.00 27.02           C  
-ATOM   5118  OD1 ASP D  17      66.747 103.008  12.679  1.00 33.31           O  
-ATOM   5119  OD2 ASP D  17      67.094 103.180  10.546  1.00 33.01           O  
-ATOM   5120  N   VAL D  18      68.251 104.763  15.065  1.00 17.75           N  
-ATOM   5121  CA  VAL D  18      67.716 106.054  15.526  1.00 17.33           C  
-ATOM   5122  C   VAL D  18      68.412 106.522  16.799  1.00 17.59           C  
-ATOM   5123  O   VAL D  18      68.321 105.872  17.862  1.00 17.09           O  
-ATOM   5124  CB  VAL D  18      66.188 105.970  15.767  1.00 17.46           C  
-ATOM   5125  CG1 VAL D  18      65.633 107.274  16.315  1.00 17.07           C  
-ATOM   5126  CG2 VAL D  18      65.453 105.559  14.470  1.00 16.05           C  
-ATOM   5127  N   ILE D  19      69.132 107.634  16.699  1.00 17.75           N  
-ATOM   5128  CA  ILE D  19      69.860 108.177  17.860  1.00 18.14           C  
-ATOM   5129  C   ILE D  19      68.815 108.595  18.913  1.00 19.05           C  
-ATOM   5130  O   ILE D  19      67.849 109.276  18.568  1.00 18.67           O  
-ATOM   5131  CB  ILE D  19      70.778 109.364  17.433  1.00 18.00           C  
-ATOM   5132  CG1 ILE D  19      71.535 109.956  18.639  1.00 17.23           C  
-ATOM   5133  CG2 ILE D  19      70.002 110.419  16.654  1.00 16.83           C  
-ATOM   5134  CD1 ILE D  19      72.537 110.990  18.289  1.00 15.85           C  
-ATOM   5135  N   PRO D  20      68.976 108.146  20.168  1.00 20.05           N  
-ATOM   5136  CA  PRO D  20      67.945 108.333  21.205  1.00 21.31           C  
-ATOM   5137  C   PRO D  20      67.965 109.758  21.789  1.00 22.79           C  
-ATOM   5138  O   PRO D  20      68.037 109.961  23.004  1.00 22.87           O  
-ATOM   5139  CB  PRO D  20      68.333 107.318  22.279  1.00 20.61           C  
-ATOM   5140  CG  PRO D  20      69.831 107.244  22.186  1.00 20.58           C  
-ATOM   5141  CD  PRO D  20      70.132 107.391  20.692  1.00 20.54           C  
-ATOM   5142  N   THR D  21      67.903 110.726  20.895  1.00 24.68           N  
-ATOM   5143  CA  THR D  21      67.865 112.128  21.246  1.00 27.30           C  
-ATOM   5144  C   THR D  21      66.543 112.428  21.966  1.00 28.63           C  
-ATOM   5145  O   THR D  21      65.513 111.861  21.608  1.00 29.00           O  
-ATOM   5146  CB  THR D  21      67.971 112.940  19.926  1.00 27.17           C  
-ATOM   5147  OG1 THR D  21      69.285 113.516  19.816  1.00 28.61           O  
-ATOM   5148  CG2 THR D  21      67.068 114.129  19.947  1.00 28.74           C  
-ATOM   5149  N   GLN D  22      66.549 113.322  22.953  1.00 29.02           N  
-ATOM   5150  CA  GLN D  22      65.282 113.763  23.527  1.00 29.84           C  
-ATOM   5151  C   GLN D  22      65.232 115.290  23.542  1.00 29.70           C  
-ATOM   5152  O   GLN D  22      66.239 115.940  23.848  1.00 28.55           O  
-ATOM   5153  CB  GLN D  22      65.064 113.176  24.931  1.00 30.67           C  
-ATOM   5154  CG  GLN D  22      64.267 111.847  24.978  1.00 32.98           C  
-ATOM   5155  CD  GLN D  22      63.532 111.654  26.310  1.00 37.42           C  
-ATOM   5156  OE1 GLN D  22      63.910 110.801  27.126  1.00 37.97           O  
-ATOM   5157  NE2 GLN D  22      62.491 112.470  26.541  1.00 38.24           N  
-ATOM   5158  N   ARG D  23      64.056 115.836  23.203  1.00 29.49           N  
-ATOM   5159  CA  ARG D  23      63.831 117.283  23.018  1.00 29.90           C  
-ATOM   5160  C   ARG D  23      65.060 118.103  22.549  1.00 29.58           C  
-ATOM   5161  O   ARG D  23      65.545 118.963  23.285  1.00 29.67           O  
-ATOM   5162  CB  ARG D  23      63.157 117.928  24.255  1.00 30.04           C  
-ATOM   5163  CG  ARG D  23      63.386 117.214  25.622  1.00 30.43           C  
-ATOM   5164  CD  ARG D  23      64.756 117.494  26.249  1.00 32.27           C  
-ATOM   5165  NE  ARG D  23      64.845 117.214  27.688  1.00 35.55           N  
-ATOM   5166  CZ  ARG D  23      65.504 116.187  28.231  1.00 36.74           C  
-ATOM   5167  NH1 ARG D  23      66.140 115.289  27.469  1.00 37.72           N  
-ATOM   5168  NH2 ARG D  23      65.529 116.061  29.550  1.00 37.74           N  
-ATOM   5169  N   ASP D  24      65.557 117.804  21.340  1.00 29.25           N  
-ATOM   5170  CA  ASP D  24      66.629 118.580  20.670  1.00 29.08           C  
-ATOM   5171  C   ASP D  24      67.913 118.737  21.527  1.00 28.03           C  
-ATOM   5172  O   ASP D  24      68.598 119.783  21.486  1.00 27.71           O  
-ATOM   5173  CB  ASP D  24      66.080 119.954  20.175  1.00 29.49           C  
-ATOM   5174  CG  ASP D  24      67.079 120.739  19.271  1.00 31.17           C  
-ATOM   5175  OD1 ASP D  24      68.056 120.146  18.750  1.00 32.21           O  
-ATOM   5176  OD2 ASP D  24      66.953 121.972  19.027  1.00 31.45           O  
-ATOM   5177  N   ARG D  25      68.224 117.701  22.299  1.00 25.98           N  
-ATOM   5178  CA  ARG D  25      69.388 117.721  23.194  1.00 25.05           C  
-ATOM   5179  C   ARG D  25      70.339 116.591  22.844  1.00 23.54           C  
-ATOM   5180  O   ARG D  25      69.869 115.510  22.468  1.00 22.81           O  
-ATOM   5181  CB  ARG D  25      68.961 117.585  24.663  1.00 25.45           C  
-ATOM   5182  CG  ARG D  25      68.353 118.845  25.285  1.00 24.83           C  
-ATOM   5183  CD  ARG D  25      68.233 118.780  26.814  1.00 26.87           C  
-ATOM   5184  NE  ARG D  25      67.469 119.904  27.357  1.00 30.39           N  
-ATOM   5185  CZ  ARG D  25      68.013 121.054  27.796  1.00 32.54           C  
-ATOM   5186  NH1 ARG D  25      69.338 121.234  27.777  1.00 32.06           N  
-ATOM   5187  NH2 ARG D  25      67.230 122.027  28.260  1.00 30.44           N  
-ATOM   5188  N   PRO D  26      71.658 116.815  22.976  1.00 22.65           N  
-ATOM   5189  CA  PRO D  26      72.621 115.783  22.573  1.00 20.94           C  
-ATOM   5190  C   PRO D  26      72.542 114.566  23.478  1.00 19.82           C  
-ATOM   5191  O   PRO D  26      72.294 114.729  24.650  1.00 19.35           O  
-ATOM   5192  CB  PRO D  26      73.982 116.479  22.711  1.00 21.08           C  
-ATOM   5193  CG  PRO D  26      73.755 117.637  23.634  1.00 21.58           C  
-ATOM   5194  CD  PRO D  26      72.326 118.033  23.496  1.00 22.24           C  
-ATOM   5195  N   VAL D  27      72.713 113.371  22.924  1.00 18.46           N  
-ATOM   5196  CA  VAL D  27      72.957 112.169  23.714  1.00 17.85           C  
-ATOM   5197  C   VAL D  27      74.346 112.279  24.340  1.00 17.35           C  
-ATOM   5198  O   VAL D  27      75.342 112.351  23.621  1.00 17.05           O  
-ATOM   5199  CB  VAL D  27      72.916 110.889  22.820  1.00 17.88           C  
-ATOM   5200  CG1 VAL D  27      73.295 109.650  23.629  1.00 17.55           C  
-ATOM   5201  CG2 VAL D  27      71.541 110.714  22.195  1.00 17.67           C  
-ATOM   5202  N   ALA D  28      74.402 112.298  25.672  1.00 16.56           N  
-ATOM   5203  CA  ALA D  28      75.665 112.306  26.410  1.00 16.09           C  
-ATOM   5204  C   ALA D  28      76.333 110.924  26.432  1.00 16.06           C  
-ATOM   5205  O   ALA D  28      75.841 109.994  27.074  1.00 15.86           O  
-ATOM   5206  CB  ALA D  28      75.450 112.813  27.833  1.00 15.61           C  
-ATOM   5207  N   VAL D  29      77.464 110.791  25.742  1.00 16.04           N  
-ATOM   5208  CA  VAL D  29      78.182 109.515  25.695  1.00 16.44           C  
-ATOM   5209  C   VAL D  29      79.474 109.609  26.497  1.00 17.43           C  
-ATOM   5210  O   VAL D  29      80.253 110.519  26.278  1.00 17.83           O  
-ATOM   5211  CB  VAL D  29      78.493 109.111  24.228  1.00 16.49           C  
-ATOM   5212  CG1 VAL D  29      79.304 107.805  24.135  1.00 14.79           C  
-ATOM   5213  CG2 VAL D  29      77.203 109.012  23.414  1.00 15.62           C  
-ATOM   5214  N   SER D  30      79.675 108.721  27.464  1.00 17.91           N  
-ATOM   5215  CA  SER D  30      80.932 108.670  28.198  1.00 19.19           C  
-ATOM   5216  C   SER D  30      81.780 107.584  27.617  1.00 19.27           C  
-ATOM   5217  O   SER D  30      81.278 106.494  27.352  1.00 19.91           O  
-ATOM   5218  CB  SER D  30      80.722 108.369  29.680  1.00 18.66           C  
-ATOM   5219  OG  SER D  30      79.786 109.274  30.225  1.00 21.41           O  
-ATOM   5220  N   VAL D  31      83.048 107.889  27.397  1.00 19.78           N  
-ATOM   5221  CA  VAL D  31      84.028 106.915  26.897  1.00 21.08           C  
-ATOM   5222  C   VAL D  31      85.264 106.933  27.752  1.00 21.25           C  
-ATOM   5223  O   VAL D  31      85.708 108.002  28.229  1.00 21.58           O  
-ATOM   5224  CB  VAL D  31      84.554 107.236  25.464  1.00 21.82           C  
-ATOM   5225  CG1 VAL D  31      85.037 105.946  24.774  1.00 21.11           C  
-ATOM   5226  CG2 VAL D  31      83.538 107.972  24.631  1.00 22.34           C  
-ATOM   5227  N   SER D  32      85.843 105.757  27.922  1.00 21.52           N  
-ATOM   5228  CA  SER D  32      87.010 105.590  28.768  1.00 22.66           C  
-ATOM   5229  C   SER D  32      87.688 104.352  28.246  1.00 22.73           C  
-ATOM   5230  O   SER D  32      87.002 103.349  27.953  1.00 22.62           O  
-ATOM   5231  CB  SER D  32      86.562 105.401  30.207  1.00 22.90           C  
-ATOM   5232  OG  SER D  32      87.651 105.010  31.031  1.00 27.45           O  
-ATOM   5233  N   LEU D  33      89.009 104.437  28.042  1.00 22.39           N  
-ATOM   5234  CA  LEU D  33      89.779 103.305  27.512  1.00 21.65           C  
-ATOM   5235  C   LEU D  33      90.523 102.694  28.657  1.00 21.70           C  
-ATOM   5236  O   LEU D  33      91.237 103.390  29.391  1.00 21.74           O  
-ATOM   5237  CB  LEU D  33      90.747 103.727  26.408  1.00 21.40           C  
-ATOM   5238  CG  LEU D  33      90.198 104.508  25.206  1.00 21.45           C  
-ATOM   5239  CD1 LEU D  33      91.234 104.637  24.072  1.00 19.72           C  
-ATOM   5240  CD2 LEU D  33      88.905 103.911  24.667  1.00 20.73           C  
-ATOM   5241  N   LYS D  34      90.327 101.400  28.865  1.00 21.19           N  
-ATOM   5242  CA  LYS D  34      91.112 100.699  29.895  1.00 20.32           C  
-ATOM   5243  C   LYS D  34      92.124  99.874  29.163  1.00 19.53           C  
-ATOM   5244  O   LYS D  34      91.754  98.933  28.498  1.00 19.40           O  
-ATOM   5245  CB  LYS D  34      90.240  99.796  30.741  1.00 20.86           C  
-ATOM   5246  CG  LYS D  34      88.949 100.393  31.181  1.00 23.39           C  
-ATOM   5247  CD  LYS D  34      89.135 101.331  32.374  1.00 27.48           C  
-ATOM   5248  CE  LYS D  34      87.875 102.204  32.554  1.00 30.43           C  
-ATOM   5249  NZ  LYS D  34      88.037 103.280  33.583  1.00 33.37           N  
-ATOM   5250  N   PHE D  35      93.395 100.242  29.268  1.00 18.51           N  
-ATOM   5251  CA  PHE D  35      94.446  99.581  28.518  1.00 17.45           C  
-ATOM   5252  C   PHE D  35      94.796  98.232  29.113  1.00 16.93           C  
-ATOM   5253  O   PHE D  35      95.004  98.106  30.321  1.00 16.76           O  
-ATOM   5254  CB  PHE D  35      95.660 100.501  28.367  1.00 16.91           C  
-ATOM   5255  CG  PHE D  35      95.377 101.705  27.515  1.00 17.65           C  
-ATOM   5256  CD1 PHE D  35      95.386 101.599  26.138  1.00 18.05           C  
-ATOM   5257  CD2 PHE D  35      95.051 102.942  28.089  1.00 18.29           C  
-ATOM   5258  CE1 PHE D  35      95.118 102.711  25.345  1.00 19.06           C  
-ATOM   5259  CE2 PHE D  35      94.762 104.061  27.281  1.00 17.96           C  
-ATOM   5260  CZ  PHE D  35      94.805 103.935  25.917  1.00 18.06           C  
-ATOM   5261  N   ILE D  36      94.849  97.218  28.262  1.00 16.23           N  
-ATOM   5262  CA  ILE D  36      95.138  95.863  28.713  1.00 16.01           C  
-ATOM   5263  C   ILE D  36      96.531  95.436  28.267  1.00 16.51           C  
-ATOM   5264  O   ILE D  36      97.276  94.808  29.017  1.00 15.75           O  
-ATOM   5265  CB  ILE D  36      94.064  94.875  28.158  1.00 16.54           C  
-ATOM   5266  CG1 ILE D  36      92.643  95.455  28.324  1.00 15.66           C  
-ATOM   5267  CG2 ILE D  36      94.266  93.435  28.750  1.00 14.54           C  
-ATOM   5268  CD1 ILE D  36      92.262  95.800  29.782  1.00 14.03           C  
-ATOM   5269  N   ASN D  37      96.880  95.780  27.034  1.00 16.84           N  
-ATOM   5270  CA  ASN D  37      98.183  95.431  26.512  1.00 18.28           C  
-ATOM   5271  C   ASN D  37      98.651  96.373  25.429  1.00 18.86           C  
-ATOM   5272  O   ASN D  37      97.826  97.028  24.771  1.00 19.02           O  
-ATOM   5273  CB  ASN D  37      98.201  93.997  25.989  1.00 17.75           C  
-ATOM   5274  CG  ASN D  37      99.374  93.208  26.531  1.00 20.08           C  
-ATOM   5275  OD1 ASN D  37     100.568  93.658  26.486  1.00 19.49           O  
-ATOM   5276  ND2 ASN D  37      99.066  92.032  27.067  1.00 16.69           N  
-ATOM   5277  N   ILE D  38      99.974  96.472  25.304  1.00 19.17           N  
-ATOM   5278  CA  ILE D  38     100.619  97.145  24.190  1.00 19.64           C  
-ATOM   5279  C   ILE D  38     101.473  96.063  23.536  1.00 20.16           C  
-ATOM   5280  O   ILE D  38     102.383  95.526  24.157  1.00 20.26           O  
-ATOM   5281  CB  ILE D  38     101.482  98.318  24.696  1.00 19.83           C  
-ATOM   5282  CG1 ILE D  38     100.604  99.366  25.395  1.00 19.73           C  
-ATOM   5283  CG2 ILE D  38     102.224  98.928  23.545  1.00 19.40           C  
-ATOM   5284  CD1 ILE D  38     101.334 100.284  26.336  1.00 19.84           C  
-ATOM   5285  N   LEU D  39     101.150  95.716  22.302  1.00 20.93           N  
-ATOM   5286  CA  LEU D  39     101.690  94.504  21.711  1.00 21.88           C  
-ATOM   5287  C   LEU D  39     102.890  94.779  20.815  1.00 22.59           C  
-ATOM   5288  O   LEU D  39     103.757  93.904  20.637  1.00 23.43           O  
-ATOM   5289  CB  LEU D  39     100.616  93.784  20.901  1.00 21.65           C  
-ATOM   5290  CG  LEU D  39      99.372  93.483  21.752  1.00 23.11           C  
-ATOM   5291  CD1 LEU D  39      98.220  93.044  20.902  1.00 23.64           C  
-ATOM   5292  CD2 LEU D  39      99.677  92.435  22.819  1.00 23.24           C  
-ATOM   5293  N   GLU D  40     102.911  95.965  20.228  1.00 22.48           N  
-ATOM   5294  CA  GLU D  40     103.933  96.310  19.277  1.00 23.00           C  
-ATOM   5295  C   GLU D  40     104.038  97.824  19.209  1.00 22.35           C  
-ATOM   5296  O   GLU D  40     103.037  98.532  19.225  1.00 22.30           O  
-ATOM   5297  CB  GLU D  40     103.628  95.744  17.892  1.00 23.32           C  
-ATOM   5298  CG  GLU D  40     104.796  95.915  16.913  1.00 27.30           C  
-ATOM   5299  CD  GLU D  40     104.543  95.326  15.531  1.00 31.95           C  
-ATOM   5300  OE1 GLU D  40     103.372  95.323  15.064  1.00 32.91           O  
-ATOM   5301  OE2 GLU D  40     105.536  94.862  14.917  1.00 33.63           O  
-ATOM   5302  N   VAL D  41     105.272  98.298  19.123  1.00 21.42           N  
-ATOM   5303  CA  VAL D  41     105.564  99.703  19.099  1.00 20.74           C  
-ATOM   5304  C   VAL D  41     106.694  99.844  18.088  1.00 20.55           C  
-ATOM   5305  O   VAL D  41     107.583  99.001  18.020  1.00 19.82           O  
-ATOM   5306  CB  VAL D  41     105.973 100.150  20.516  1.00 21.09           C  
-ATOM   5307  CG1 VAL D  41     106.982 101.256  20.493  1.00 20.92           C  
-ATOM   5308  CG2 VAL D  41     104.758 100.541  21.338  1.00 20.56           C  
-ATOM   5309  N   ASN D  42     106.641 100.897  17.278  1.00 20.66           N  
-ATOM   5310  CA  ASN D  42     107.660 101.134  16.266  1.00 20.45           C  
-ATOM   5311  C   ASN D  42     108.003 102.599  16.298  1.00 20.76           C  
-ATOM   5312  O   ASN D  42     107.196 103.447  15.927  1.00 20.48           O  
-ATOM   5313  CB  ASN D  42     107.158 100.717  14.887  1.00 20.38           C  
-ATOM   5314  CG  ASN D  42     108.262 100.699  13.843  1.00 20.78           C  
-ATOM   5315  OD1 ASN D  42     109.114 101.571  13.833  1.00 21.46           O  
-ATOM   5316  ND2 ASN D  42     108.232  99.712  12.942  1.00 19.17           N  
-ATOM   5317  N   GLU D  43     109.205 102.898  16.777  1.00 21.34           N  
-ATOM   5318  CA  GLU D  43     109.627 104.267  16.986  1.00 21.86           C  
-ATOM   5319  C   GLU D  43     110.013 104.926  15.653  1.00 21.96           C  
-ATOM   5320  O   GLU D  43     110.016 106.155  15.544  1.00 21.64           O  
-ATOM   5321  CB  GLU D  43     110.788 104.329  18.008  1.00 22.43           C  
-ATOM   5322  CG  GLU D  43     110.775 105.578  18.896  1.00 24.30           C  
-ATOM   5323  CD  GLU D  43     111.952 105.675  19.876  1.00 27.32           C  
-ATOM   5324  OE1 GLU D  43     112.440 104.628  20.376  1.00 28.73           O  
-ATOM   5325  OE2 GLU D  43     112.390 106.821  20.163  1.00 27.61           O  
-ATOM   5326  N   ILE D  44     110.341 104.112  14.646  1.00 21.92           N  
-ATOM   5327  CA  ILE D  44     110.653 104.641  13.313  1.00 22.01           C  
-ATOM   5328  C   ILE D  44     109.361 105.110  12.637  1.00 21.64           C  
-ATOM   5329  O   ILE D  44     109.292 106.239  12.172  1.00 21.69           O  
-ATOM   5330  CB  ILE D  44     111.414 103.593  12.424  1.00 22.37           C  
-ATOM   5331  CG1 ILE D  44     112.702 103.087  13.108  1.00 23.03           C  
-ATOM   5332  CG2 ILE D  44     111.724 104.165  11.013  1.00 22.53           C  
-ATOM   5333  CD1 ILE D  44     113.714 104.175  13.491  1.00 24.15           C  
-ATOM   5334  N   THR D  45     108.328 104.256  12.626  1.00 21.01           N  
-ATOM   5335  CA  THR D  45     107.094 104.575  11.910  1.00 20.33           C  
-ATOM   5336  C   THR D  45     106.100 105.353  12.748  1.00 19.82           C  
-ATOM   5337  O   THR D  45     105.167 105.908  12.213  1.00 19.99           O  
-ATOM   5338  CB  THR D  45     106.438 103.328  11.302  1.00 20.40           C  
-ATOM   5339  OG1 THR D  45     106.091 102.401  12.342  1.00 21.13           O  
-ATOM   5340  CG2 THR D  45     107.445 102.538  10.454  1.00 20.30           C  
-ATOM   5341  N   ASN D  46     106.335 105.435  14.055  1.00 19.49           N  
-ATOM   5342  CA  ASN D  46     105.398 106.053  14.990  1.00 18.86           C  
-ATOM   5343  C   ASN D  46     104.041 105.352  14.988  1.00 18.71           C  
-ATOM   5344  O   ASN D  46     103.010 105.964  14.788  1.00 18.48           O  
-ATOM   5345  CB  ASN D  46     105.255 107.548  14.693  1.00 18.47           C  
-ATOM   5346  CG  ASN D  46     106.219 108.381  15.473  1.00 18.26           C  
-ATOM   5347  OD1 ASN D  46     106.576 108.047  16.601  1.00 17.53           O  
-ATOM   5348  ND2 ASN D  46     106.654 109.475  14.882  1.00 15.62           N  
-ATOM   5349  N   GLU D  47     104.064 104.041  15.183  1.00 19.22           N  
-ATOM   5350  CA  GLU D  47     102.863 103.213  15.154  1.00 19.43           C  
-ATOM   5351  C   GLU D  47     102.896 102.331  16.374  1.00 19.61           C  
-ATOM   5352  O   GLU D  47     103.971 101.906  16.811  1.00 19.42           O  
-ATOM   5353  CB  GLU D  47     102.796 102.363  13.870  1.00 19.60           C  
-ATOM   5354  CG  GLU D  47     102.601 103.198  12.589  1.00 21.73           C  
-ATOM   5355  CD  GLU D  47     102.702 102.388  11.289  1.00 25.99           C  
-ATOM   5356  OE1 GLU D  47     102.472 101.153  11.350  1.00 27.99           O  
-ATOM   5357  OE2 GLU D  47     103.006 102.973  10.198  1.00 27.94           O  
-ATOM   5358  N   VAL D  48     101.716 102.077  16.931  1.00 19.58           N  
-ATOM   5359  CA  VAL D  48     101.542 101.221  18.102  1.00 20.04           C  
-ATOM   5360  C   VAL D  48     100.338 100.319  17.887  1.00 20.24           C  
-ATOM   5361  O   VAL D  48      99.344 100.728  17.281  1.00 19.86           O  
-ATOM   5362  CB  VAL D  48     101.366 102.034  19.468  1.00 20.06           C  
-ATOM   5363  CG1 VAL D  48     102.496 102.967  19.703  1.00 20.59           C  
-ATOM   5364  CG2 VAL D  48     100.073 102.828  19.500  1.00 21.01           C  
-ATOM   5365  N   ASP D  49     100.454  99.092  18.383  1.00 20.68           N  
-ATOM   5366  CA  ASP D  49      99.403  98.092  18.357  1.00 21.42           C  
-ATOM   5367  C   ASP D  49      98.961  97.897  19.825  1.00 21.09           C  
-ATOM   5368  O   ASP D  49      99.798  97.615  20.700  1.00 20.40           O  
-ATOM   5369  CB  ASP D  49     100.013  96.804  17.796  1.00 22.33           C  
-ATOM   5370  CG  ASP D  49      98.986  95.811  17.263  1.00 24.98           C  
-ATOM   5371  OD1 ASP D  49      97.767  95.953  17.530  1.00 28.58           O  
-ATOM   5372  OD2 ASP D  49      99.344  94.829  16.554  1.00 28.72           O  
-ATOM   5373  N   VAL D  50      97.669  98.099  20.107  1.00 20.73           N  
-ATOM   5374  CA  VAL D  50      97.192  98.167  21.485  1.00 20.41           C  
-ATOM   5375  C   VAL D  50      95.883  97.397  21.662  1.00 19.41           C  
-ATOM   5376  O   VAL D  50      95.084  97.312  20.730  1.00 18.80           O  
-ATOM   5377  CB  VAL D  50      96.970  99.637  21.926  1.00 20.89           C  
-ATOM   5378  CG1 VAL D  50      96.525  99.687  23.360  1.00 22.93           C  
-ATOM   5379  CG2 VAL D  50      98.224 100.429  21.808  1.00 22.30           C  
-ATOM   5380  N   VAL D  51      95.672  96.866  22.872  1.00 18.69           N  
-ATOM   5381  CA  VAL D  51      94.405  96.229  23.276  1.00 17.52           C  
-ATOM   5382  C   VAL D  51      93.829  97.031  24.434  1.00 17.17           C  
-ATOM   5383  O   VAL D  51      94.513  97.255  25.429  1.00 16.89           O  
-ATOM   5384  CB  VAL D  51      94.606  94.753  23.722  1.00 17.77           C  
-ATOM   5385  CG1 VAL D  51      93.258  94.113  24.176  1.00 17.32           C  
-ATOM   5386  CG2 VAL D  51      95.258  93.947  22.615  1.00 17.26           C  
-ATOM   5387  N   PHE D  52      92.584  97.497  24.301  1.00 16.46           N  
-ATOM   5388  CA  PHE D  52      91.952  98.246  25.382  1.00 16.46           C  
-ATOM   5389  C   PHE D  52      90.480  97.822  25.514  1.00 17.64           C  
-ATOM   5390  O   PHE D  52      89.899  97.372  24.539  1.00 17.25           O  
-ATOM   5391  CB  PHE D  52      92.050  99.746  25.094  1.00 15.56           C  
-ATOM   5392  CG  PHE D  52      91.631 100.121  23.697  1.00 17.11           C  
-ATOM   5393  CD1 PHE D  52      92.550 100.099  22.646  1.00 18.56           C  
-ATOM   5394  CD2 PHE D  52      90.290 100.449  23.403  1.00 15.26           C  
-ATOM   5395  CE1 PHE D  52      92.146 100.439  21.303  1.00 17.96           C  
-ATOM   5396  CE2 PHE D  52      89.903 100.788  22.092  1.00 14.55           C  
-ATOM   5397  CZ  PHE D  52      90.818 100.789  21.045  1.00 13.83           C  
-ATOM   5398  N   TRP D  53      89.891  97.972  26.713  1.00 17.04           N  
-ATOM   5399  CA  TRP D  53      88.446  97.891  26.865  1.00 17.36           C  
-ATOM   5400  C   TRP D  53      87.892  99.296  26.640  1.00 18.21           C  
-ATOM   5401  O   TRP D  53      88.280 100.236  27.332  1.00 17.87           O  
-ATOM   5402  CB  TRP D  53      88.066  97.386  28.243  1.00 16.64           C  
-ATOM   5403  CG  TRP D  53      88.614  96.014  28.564  1.00 16.74           C  
-ATOM   5404  CD1 TRP D  53      89.150  95.121  27.682  1.00 16.69           C  
-ATOM   5405  CD2 TRP D  53      88.677  95.402  29.841  1.00 16.42           C  
-ATOM   5406  NE1 TRP D  53      89.575  93.995  28.350  1.00 17.68           N  
-ATOM   5407  CE2 TRP D  53      89.294  94.140  29.678  1.00 17.12           C  
-ATOM   5408  CE3 TRP D  53      88.334  95.810  31.130  1.00 18.61           C  
-ATOM   5409  CZ2 TRP D  53      89.516  93.257  30.743  1.00 18.80           C  
-ATOM   5410  CZ3 TRP D  53      88.563  94.926  32.198  1.00 19.55           C  
-ATOM   5411  CH2 TRP D  53      89.138  93.664  31.987  1.00 19.20           C  
-ATOM   5412  N   GLN D  54      87.002  99.442  25.665  1.00 18.46           N  
-ATOM   5413  CA  GLN D  54      86.422 100.740  25.387  1.00 19.61           C  
-ATOM   5414  C   GLN D  54      85.086 100.873  26.142  1.00 19.53           C  
-ATOM   5415  O   GLN D  54      84.017 100.594  25.611  1.00 19.24           O  
-ATOM   5416  CB  GLN D  54      86.228 100.893  23.889  1.00 19.99           C  
-ATOM   5417  CG  GLN D  54      85.723 102.279  23.444  1.00 23.03           C  
-ATOM   5418  CD  GLN D  54      85.859 102.435  21.948  1.00 27.80           C  
-ATOM   5419  OE1 GLN D  54      86.983 102.404  21.425  1.00 29.51           O  
-ATOM   5420  NE2 GLN D  54      84.739 102.558  21.250  1.00 29.03           N  
-ATOM   5421  N   GLN D  55      85.167 101.303  27.390  1.00 19.44           N  
-ATOM   5422  CA  GLN D  55      83.981 101.453  28.235  1.00 19.97           C  
-ATOM   5423  C   GLN D  55      83.115 102.622  27.754  1.00 20.20           C  
-ATOM   5424  O   GLN D  55      83.530 103.778  27.816  1.00 19.78           O  
-ATOM   5425  CB  GLN D  55      84.394 101.704  29.667  1.00 20.03           C  
-ATOM   5426  CG  GLN D  55      83.224 101.962  30.595  1.00 22.19           C  
-ATOM   5427  CD  GLN D  55      83.626 102.123  32.088  1.00 26.53           C  
-ATOM   5428  OE1 GLN D  55      84.754 101.841  32.503  1.00 28.27           O  
-ATOM   5429  NE2 GLN D  55      82.675 102.563  32.880  1.00 27.00           N  
-ATOM   5430  N   THR D  56      81.930 102.284  27.258  1.00 19.53           N  
-ATOM   5431  CA  THR D  56      81.055 103.232  26.599  1.00 20.01           C  
-ATOM   5432  C   THR D  56      79.684 103.204  27.241  1.00 19.83           C  
-ATOM   5433  O   THR D  56      79.077 102.146  27.433  1.00 19.65           O  
-ATOM   5434  CB  THR D  56      80.929 102.913  25.098  1.00 20.43           C  
-ATOM   5435  OG1 THR D  56      82.215 102.557  24.590  1.00 22.18           O  
-ATOM   5436  CG2 THR D  56      80.591 104.181  24.315  1.00 20.11           C  
-ATOM   5437  N   THR D  57      79.202 104.388  27.576  1.00 19.38           N  
-ATOM   5438  CA  THR D  57      78.036 104.516  28.402  1.00 19.43           C  
-ATOM   5439  C   THR D  57      77.153 105.640  27.869  1.00 18.86           C  
-ATOM   5440  O   THR D  57      77.661 106.654  27.387  1.00 18.15           O  
-ATOM   5441  CB  THR D  57      78.551 104.776  29.808  1.00 20.51           C  
-ATOM   5442  OG1 THR D  57      78.297 103.620  30.628  1.00 22.57           O  
-ATOM   5443  CG2 THR D  57      77.889 105.969  30.493  1.00 21.45           C  
-ATOM   5444  N   TRP D  58      75.841 105.422  27.911  1.00 17.56           N  
-ATOM   5445  CA  TRP D  58      74.857 106.400  27.450  1.00 17.68           C  
-ATOM   5446  C   TRP D  58      73.483 105.938  27.896  1.00 17.61           C  
-ATOM   5447  O   TRP D  58      73.284 104.801  28.332  1.00 17.97           O  
-ATOM   5448  CB  TRP D  58      74.884 106.607  25.902  1.00 16.81           C  
-ATOM   5449  CG  TRP D  58      74.357 105.416  25.124  1.00 16.78           C  
-ATOM   5450  CD1 TRP D  58      73.084 105.232  24.677  1.00 16.77           C  
-ATOM   5451  CD2 TRP D  58      75.093 104.250  24.716  1.00 15.39           C  
-ATOM   5452  NE1 TRP D  58      72.977 104.027  24.023  1.00 15.82           N  
-ATOM   5453  CE2 TRP D  58      74.199 103.404  24.042  1.00 14.77           C  
-ATOM   5454  CE3 TRP D  58      76.421 103.826  24.873  1.00 14.47           C  
-ATOM   5455  CZ2 TRP D  58      74.587 102.163  23.514  1.00 14.22           C  
-ATOM   5456  CZ3 TRP D  58      76.802 102.595  24.347  1.00 14.01           C  
-ATOM   5457  CH2 TRP D  58      75.889 101.779  23.696  1.00 15.30           C  
-ATOM   5458  N   SER D  59      72.525 106.805  27.703  1.00 18.03           N  
-ATOM   5459  CA  SER D  59      71.164 106.563  28.090  1.00 19.23           C  
-ATOM   5460  C   SER D  59      70.262 106.484  26.863  1.00 19.05           C  
-ATOM   5461  O   SER D  59      70.363 107.308  25.965  1.00 18.58           O  
-ATOM   5462  CB  SER D  59      70.722 107.705  29.008  1.00 19.42           C  
-ATOM   5463  OG  SER D  59      69.329 107.912  28.851  1.00 23.02           O  
-ATOM   5464  N   ASP D  60      69.406 105.463  26.819  1.00 19.54           N  
-ATOM   5465  CA  ASP D  60      68.370 105.378  25.785  1.00 19.76           C  
-ATOM   5466  C   ASP D  60      67.060 105.012  26.467  1.00 19.80           C  
-ATOM   5467  O   ASP D  60      66.783 103.847  26.761  1.00 19.36           O  
-ATOM   5468  CB  ASP D  60      68.765 104.337  24.741  1.00 20.18           C  
-ATOM   5469  CG  ASP D  60      67.792 104.262  23.563  1.00 22.20           C  
-ATOM   5470  OD1 ASP D  60      66.616 104.699  23.667  1.00 21.98           O  
-ATOM   5471  OD2 ASP D  60      68.138 103.765  22.479  1.00 24.38           O  
-ATOM   5472  N   ARG D  61      66.248 106.017  26.722  1.00 20.21           N  
-ATOM   5473  CA  ARG D  61      64.994 105.825  27.437  1.00 21.11           C  
-ATOM   5474  C   ARG D  61      63.928 105.029  26.672  1.00 21.14           C  
-ATOM   5475  O   ARG D  61      63.012 104.486  27.304  1.00 21.42           O  
-ATOM   5476  CB  ARG D  61      64.469 107.170  27.975  1.00 21.62           C  
-ATOM   5477  CG  ARG D  61      65.540 107.950  28.751  1.00 24.04           C  
-ATOM   5478  CD  ARG D  61      65.343 108.010  30.290  1.00 29.43           C  
-ATOM   5479  NE  ARG D  61      66.587 108.359  30.997  1.00 33.26           N  
-ATOM   5480  CZ  ARG D  61      66.738 109.408  31.819  1.00 36.51           C  
-ATOM   5481  NH1 ARG D  61      65.717 110.227  32.077  1.00 37.74           N  
-ATOM   5482  NH2 ARG D  61      67.917 109.641  32.392  1.00 36.77           N  
-ATOM   5483  N   THR D  62      64.059 104.885  25.344  1.00 20.93           N  
-ATOM   5484  CA  THR D  62      63.161 103.960  24.604  1.00 21.28           C  
-ATOM   5485  C   THR D  62      63.355 102.479  24.997  1.00 20.67           C  
-ATOM   5486  O   THR D  62      62.507 101.642  24.717  1.00 20.59           O  
-ATOM   5487  CB  THR D  62      63.273 104.106  23.074  1.00 21.61           C  
-ATOM   5488  OG1 THR D  62      64.544 103.597  22.630  1.00 22.84           O  
-ATOM   5489  CG2 THR D  62      63.263 105.593  22.650  1.00 22.04           C  
-ATOM   5490  N   LEU D  63      64.458 102.179  25.673  1.00 20.09           N  
-ATOM   5491  CA  LEU D  63      64.753 100.813  26.116  1.00 19.80           C  
-ATOM   5492  C   LEU D  63      64.117 100.484  27.462  1.00 19.72           C  
-ATOM   5493  O   LEU D  63      63.983  99.310  27.799  1.00 19.64           O  
-ATOM   5494  CB  LEU D  63      66.257 100.593  26.199  1.00 19.29           C  
-ATOM   5495  CG  LEU D  63      67.082 100.741  24.916  1.00 20.42           C  
-ATOM   5496  CD1 LEU D  63      68.507 100.473  25.234  1.00 18.74           C  
-ATOM   5497  CD2 LEU D  63      66.647  99.810  23.782  1.00 19.50           C  
-ATOM   5498  N   ALA D  64      63.705 101.523  28.190  1.00 18.98           N  
-ATOM   5499  CA  ALA D  64      63.324 101.433  29.593  1.00 18.97           C  
-ATOM   5500  C   ALA D  64      62.101 100.574  29.797  1.00 18.81           C  
-ATOM   5501  O   ALA D  64      61.237 100.533  28.950  1.00 18.89           O  
-ATOM   5502  CB  ALA D  64      63.081 102.867  30.180  1.00 18.75           C  
-ATOM   5503  N   TRP D  65      62.026  99.910  30.941  1.00 18.82           N  
-ATOM   5504  CA  TRP D  65      60.864  99.110  31.306  1.00 18.51           C  
-ATOM   5505  C   TRP D  65      60.683  99.197  32.805  1.00 19.34           C  
-ATOM   5506  O   TRP D  65      61.635  99.512  33.542  1.00 19.00           O  
-ATOM   5507  CB  TRP D  65      61.037  97.644  30.867  1.00 17.97           C  
-ATOM   5508  CG  TRP D  65      62.108  96.864  31.634  1.00 16.67           C  
-ATOM   5509  CD1 TRP D  65      61.933  96.101  32.763  1.00 15.26           C  
-ATOM   5510  CD2 TRP D  65      63.505  96.762  31.306  1.00 14.26           C  
-ATOM   5511  NE1 TRP D  65      63.126  95.533  33.146  1.00 13.84           N  
-ATOM   5512  CE2 TRP D  65      64.105  95.911  32.269  1.00 12.98           C  
-ATOM   5513  CE3 TRP D  65      64.303  97.282  30.289  1.00 13.10           C  
-ATOM   5514  CZ2 TRP D  65      65.469  95.619  32.270  1.00 12.04           C  
-ATOM   5515  CZ3 TRP D  65      65.666  96.974  30.272  1.00 12.60           C  
-ATOM   5516  CH2 TRP D  65      66.235  96.153  31.265  1.00 12.10           C  
-ATOM   5517  N   ASN D  66      59.461  98.920  33.248  1.00 19.90           N  
-ATOM   5518  CA  ASN D  66      59.121  98.931  34.657  1.00 20.96           C  
-ATOM   5519  C   ASN D  66      59.641  97.634  35.272  1.00 20.97           C  
-ATOM   5520  O   ASN D  66      59.165  96.546  34.952  1.00 21.06           O  
-ATOM   5521  CB  ASN D  66      57.598  99.056  34.825  1.00 21.11           C  
-ATOM   5522  CG  ASN D  66      57.182  99.295  36.264  1.00 22.93           C  
-ATOM   5523  OD1 ASN D  66      57.859  98.865  37.208  1.00 23.32           O  
-ATOM   5524  ND2 ASN D  66      56.040  99.973  36.443  1.00 25.11           N  
-ATOM   5525  N   SER D  67      60.622  97.739  36.152  1.00 21.87           N  
-ATOM   5526  CA  SER D  67      61.254  96.534  36.669  1.00 22.15           C  
-ATOM   5527  C   SER D  67      60.803  96.283  38.096  1.00 22.74           C  
-ATOM   5528  O   SER D  67      61.467  95.549  38.832  1.00 22.45           O  
-ATOM   5529  CB  SER D  67      62.782  96.637  36.572  1.00 21.85           C  
-ATOM   5530  OG  SER D  67      63.258  97.804  37.215  1.00 22.00           O  
-ATOM   5531  N   SER D  68      59.674  96.887  38.477  1.00 23.10           N  
-ATOM   5532  CA  SER D  68      59.149  96.746  39.835  1.00 24.14           C  
-ATOM   5533  C   SER D  68      58.846  95.295  40.255  1.00 24.13           C  
-ATOM   5534  O   SER D  68      58.845  94.972  41.450  1.00 24.44           O  
-ATOM   5535  CB  SER D  68      57.930  97.652  40.063  1.00 24.48           C  
-ATOM   5536  OG  SER D  68      56.715  96.965  39.804  1.00 25.45           O  
-ATOM   5537  N   HIS D  69      58.602  94.426  39.279  1.00 23.88           N  
-ATOM   5538  CA  HIS D  69      58.471  93.005  39.565  1.00 23.80           C  
-ATOM   5539  C   HIS D  69      59.336  92.186  38.614  1.00 23.57           C  
-ATOM   5540  O   HIS D  69      59.038  91.011  38.345  1.00 23.85           O  
-ATOM   5541  CB  HIS D  69      56.998  92.567  39.497  1.00 24.31           C  
-ATOM   5542  CG  HIS D  69      56.169  93.001  40.676  1.00 25.06           C  
-ATOM   5543  ND1 HIS D  69      55.572  94.242  40.755  1.00 25.39           N  
-ATOM   5544  CD2 HIS D  69      55.825  92.349  41.813  1.00 26.88           C  
-ATOM   5545  CE1 HIS D  69      54.898  94.337  41.887  1.00 25.94           C  
-ATOM   5546  NE2 HIS D  69      55.026  93.198  42.543  1.00 27.26           N  
-ATOM   5547  N   SER D  70      60.450  92.780  38.163  1.00 22.59           N  
-ATOM   5548  CA  SER D  70      61.233  92.208  37.071  1.00 22.03           C  
-ATOM   5549  C   SER D  70      62.742  92.391  37.223  1.00 21.86           C  
-ATOM   5550  O   SER D  70      63.200  93.261  37.973  1.00 21.85           O  
-ATOM   5551  CB  SER D  70      60.785  92.821  35.741  1.00 21.89           C  
-ATOM   5552  OG  SER D  70      59.370  92.787  35.596  1.00 22.60           O  
-ATOM   5553  N   PRO D  71      63.523  91.576  36.511  1.00 21.53           N  
-ATOM   5554  CA  PRO D  71      64.970  91.790  36.433  1.00 21.34           C  
-ATOM   5555  C   PRO D  71      65.218  93.226  36.016  1.00 20.92           C  
-ATOM   5556  O   PRO D  71      64.454  93.753  35.215  1.00 20.62           O  
-ATOM   5557  CB  PRO D  71      65.392  90.841  35.319  1.00 21.35           C  
-ATOM   5558  CG  PRO D  71      64.426  89.719  35.420  1.00 21.53           C  
-ATOM   5559  CD  PRO D  71      63.105  90.386  35.743  1.00 21.63           C  
-ATOM   5560  N   ASP D  72      66.233  93.868  36.569  1.00 20.71           N  
-ATOM   5561  CA  ASP D  72      66.429  95.271  36.251  1.00 21.44           C  
-ATOM   5562  C   ASP D  72      67.567  95.518  35.263  1.00 20.27           C  
-ATOM   5563  O   ASP D  72      67.834  96.671  34.914  1.00 20.09           O  
-ATOM   5564  CB  ASP D  72      66.553  96.115  37.538  1.00 22.65           C  
-ATOM   5565  CG  ASP D  72      67.928  96.059  38.123  1.00 26.49           C  
-ATOM   5566  OD1 ASP D  72      68.502  94.931  38.211  1.00 30.13           O  
-ATOM   5567  OD2 ASP D  72      68.533  97.095  38.505  1.00 31.77           O  
-ATOM   5568  N   GLN D  73      68.190  94.431  34.791  1.00 18.63           N  
-ATOM   5569  CA  GLN D  73      69.287  94.488  33.809  1.00 17.82           C  
-ATOM   5570  C   GLN D  73      69.268  93.273  32.910  1.00 16.38           C  
-ATOM   5571  O   GLN D  73      69.019  92.167  33.380  1.00 15.42           O  
-ATOM   5572  CB  GLN D  73      70.661  94.452  34.507  1.00 17.81           C  
-ATOM   5573  CG  GLN D  73      71.085  95.749  35.109  1.00 20.79           C  
-ATOM   5574  CD  GLN D  73      72.561  95.798  35.476  1.00 22.60           C  
-ATOM   5575  OE1 GLN D  73      73.436  95.347  34.713  1.00 24.08           O  
-ATOM   5576  NE2 GLN D  73      72.847  96.388  36.625  1.00 20.21           N  
-ATOM   5577  N   VAL D  74      69.584  93.469  31.636  1.00 15.14           N  
-ATOM   5578  CA  VAL D  74      69.790  92.343  30.719  1.00 14.51           C  
-ATOM   5579  C   VAL D  74      70.973  92.586  29.801  1.00 14.86           C  
-ATOM   5580  O   VAL D  74      71.376  93.756  29.606  1.00 14.17           O  
-ATOM   5581  CB  VAL D  74      68.564  92.116  29.825  1.00 14.59           C  
-ATOM   5582  CG1 VAL D  74      67.409  91.560  30.640  1.00 14.03           C  
-ATOM   5583  CG2 VAL D  74      68.196  93.414  29.056  1.00 12.28           C  
-ATOM   5584  N   SER D  75      71.504  91.502  29.219  1.00 14.43           N  
-ATOM   5585  CA  SER D  75      72.504  91.604  28.151  1.00 15.11           C  
-ATOM   5586  C   SER D  75      71.796  91.554  26.794  1.00 15.70           C  
-ATOM   5587  O   SER D  75      70.992  90.661  26.552  1.00 15.91           O  
-ATOM   5588  CB  SER D  75      73.519  90.431  28.211  1.00 15.37           C  
-ATOM   5589  OG  SER D  75      74.229  90.369  29.423  1.00 14.62           O  
-ATOM   5590  N   VAL D  76      72.130  92.494  25.905  1.00 16.05           N  
-ATOM   5591  CA  VAL D  76      71.459  92.647  24.622  1.00 15.95           C  
-ATOM   5592  C   VAL D  76      72.479  92.695  23.500  1.00 16.27           C  
-ATOM   5593  O   VAL D  76      73.470  93.396  23.618  1.00 15.87           O  
-ATOM   5594  CB  VAL D  76      70.607  93.951  24.624  1.00 16.34           C  
-ATOM   5595  CG1 VAL D  76      69.782  94.134  23.354  1.00 14.54           C  
-ATOM   5596  CG2 VAL D  76      69.707  93.980  25.861  1.00 14.84           C  
-ATOM   5597  N   PRO D  77      72.260  91.940  22.421  1.00 16.92           N  
-ATOM   5598  CA  PRO D  77      73.156  92.020  21.267  1.00 17.17           C  
-ATOM   5599  C   PRO D  77      73.150  93.479  20.785  1.00 17.36           C  
-ATOM   5600  O   PRO D  77      72.063  94.073  20.704  1.00 16.80           O  
-ATOM   5601  CB  PRO D  77      72.510  91.087  20.230  1.00 17.24           C  
-ATOM   5602  CG  PRO D  77      71.534  90.281  20.937  1.00 17.89           C  
-ATOM   5603  CD  PRO D  77      71.194  90.940  22.247  1.00 17.07           C  
-ATOM   5604  N   ILE D  78      74.309  94.050  20.482  1.00 18.12           N  
-ATOM   5605  CA  ILE D  78      74.317  95.471  20.005  1.00 19.25           C  
-ATOM   5606  C   ILE D  78      73.551  95.694  18.701  1.00 19.86           C  
-ATOM   5607  O   ILE D  78      73.116  96.811  18.438  1.00 20.51           O  
-ATOM   5608  CB  ILE D  78      75.731  96.055  19.917  1.00 19.96           C  
-ATOM   5609  CG1 ILE D  78      76.562  95.341  18.845  1.00 20.58           C  
-ATOM   5610  CG2 ILE D  78      76.410  95.993  21.274  1.00 18.60           C  
-ATOM   5611  CD1 ILE D  78      77.850  96.117  18.466  1.00 23.55           C  
-ATOM   5612  N   SER D  79      73.331  94.639  17.913  1.00 20.07           N  
-ATOM   5613  CA  SER D  79      72.546  94.740  16.689  1.00 21.23           C  
-ATOM   5614  C   SER D  79      71.077  95.077  16.970  1.00 20.85           C  
-ATOM   5615  O   SER D  79      70.345  95.532  16.074  1.00 21.11           O  
-ATOM   5616  CB  SER D  79      72.641  93.441  15.850  1.00 21.66           C  
-ATOM   5617  OG  SER D  79      71.889  92.396  16.460  1.00 24.51           O  
-ATOM   5618  N   SER D  80      70.634  94.846  18.193  1.00 20.45           N  
-ATOM   5619  CA  SER D  80      69.291  95.235  18.584  1.00 20.85           C  
-ATOM   5620  C   SER D  80      69.236  96.651  19.237  1.00 20.65           C  
-ATOM   5621  O   SER D  80      68.179  97.089  19.667  1.00 20.84           O  
-ATOM   5622  CB  SER D  80      68.698  94.191  19.549  1.00 20.95           C  
-ATOM   5623  OG  SER D  80      68.420  92.960  18.867  1.00 24.47           O  
-ATOM   5624  N   LEU D  81      70.366  97.347  19.340  1.00 19.89           N  
-ATOM   5625  CA  LEU D  81      70.396  98.646  20.042  1.00 19.54           C  
-ATOM   5626  C   LEU D  81      70.978  99.727  19.155  1.00 18.61           C  
-ATOM   5627  O   LEU D  81      71.826  99.448  18.309  1.00 18.07           O  
-ATOM   5628  CB  LEU D  81      71.332  98.569  21.255  1.00 20.34           C  
-ATOM   5629  CG  LEU D  81      71.086  97.644  22.422  1.00 21.92           C  
-ATOM   5630  CD1 LEU D  81      72.080  97.912  23.533  1.00 22.65           C  
-ATOM   5631  CD2 LEU D  81      69.682  97.856  22.932  1.00 24.24           C  
-ATOM   5632  N   TRP D  82      70.596 100.973  19.383  1.00 17.65           N  
-ATOM   5633  CA  TRP D  82      71.422 102.050  18.852  1.00 17.48           C  
-ATOM   5634  C   TRP D  82      72.716 102.112  19.657  1.00 17.75           C  
-ATOM   5635  O   TRP D  82      72.694 102.027  20.892  1.00 17.97           O  
-ATOM   5636  CB  TRP D  82      70.721 103.390  18.897  1.00 16.87           C  
-ATOM   5637  CG  TRP D  82      71.600 104.531  18.414  1.00 17.04           C  
-ATOM   5638  CD1 TRP D  82      71.732 104.975  17.136  1.00 15.88           C  
-ATOM   5639  CD2 TRP D  82      72.455 105.352  19.215  1.00 16.13           C  
-ATOM   5640  NE1 TRP D  82      72.600 106.035  17.089  1.00 16.51           N  
-ATOM   5641  CE2 TRP D  82      73.044 106.307  18.356  1.00 17.12           C  
-ATOM   5642  CE3 TRP D  82      72.764 105.394  20.585  1.00 15.50           C  
-ATOM   5643  CZ2 TRP D  82      73.934 107.292  18.806  1.00 15.13           C  
-ATOM   5644  CZ3 TRP D  82      73.657 106.376  21.044  1.00 15.75           C  
-ATOM   5645  CH2 TRP D  82      74.229 107.322  20.142  1.00 16.00           C  
-ATOM   5646  N   VAL D  83      73.828 102.263  18.953  1.00 17.75           N  
-ATOM   5647  CA  VAL D  83      75.147 102.378  19.554  1.00 18.37           C  
-ATOM   5648  C   VAL D  83      75.824 103.619  18.941  1.00 18.52           C  
-ATOM   5649  O   VAL D  83      75.638 103.870  17.753  1.00 18.35           O  
-ATOM   5650  CB  VAL D  83      75.965 101.082  19.247  1.00 19.03           C  
-ATOM   5651  CG1 VAL D  83      77.448 101.272  19.421  1.00 20.71           C  
-ATOM   5652  CG2 VAL D  83      75.454  99.927  20.098  1.00 19.41           C  
-ATOM   5653  N   PRO D  84      76.567 104.405  19.728  1.00 18.63           N  
-ATOM   5654  CA  PRO D  84      77.210 105.612  19.176  1.00 18.74           C  
-ATOM   5655  C   PRO D  84      78.229 105.219  18.097  1.00 18.39           C  
-ATOM   5656  O   PRO D  84      78.907 104.205  18.214  1.00 17.89           O  
-ATOM   5657  CB  PRO D  84      77.863 106.307  20.398  1.00 18.35           C  
-ATOM   5658  CG  PRO D  84      77.545 105.465  21.604  1.00 19.06           C  
-ATOM   5659  CD  PRO D  84      76.805 104.227  21.176  1.00 18.52           C  
-ATOM   5660  N   ASP D  85      78.325 106.033  17.052  1.00 17.72           N  
-ATOM   5661  CA  ASP D  85      79.175 105.732  15.907  1.00 17.46           C  
-ATOM   5662  C   ASP D  85      80.582 106.314  16.173  1.00 17.40           C  
-ATOM   5663  O   ASP D  85      81.085 107.190  15.422  1.00 17.00           O  
-ATOM   5664  CB  ASP D  85      78.553 106.332  14.641  1.00 16.83           C  
-ATOM   5665  CG  ASP D  85      78.456 107.859  14.710  1.00 19.20           C  
-ATOM   5666  OD1 ASP D  85      78.330 108.387  15.855  1.00 18.49           O  
-ATOM   5667  OD2 ASP D  85      78.501 108.612  13.699  1.00 20.29           O  
-ATOM   5668  N   LEU D  86      81.197 105.835  17.249  1.00 16.65           N  
-ATOM   5669  CA  LEU D  86      82.510 106.297  17.636  1.00 17.05           C  
-ATOM   5670  C   LEU D  86      83.606 105.791  16.729  1.00 17.35           C  
-ATOM   5671  O   LEU D  86      83.564 104.667  16.257  1.00 17.35           O  
-ATOM   5672  CB  LEU D  86      82.810 105.938  19.084  1.00 17.01           C  
-ATOM   5673  CG  LEU D  86      81.874 106.538  20.151  1.00 17.45           C  
-ATOM   5674  CD1 LEU D  86      82.253 106.058  21.530  1.00 17.15           C  
-ATOM   5675  CD2 LEU D  86      81.771 108.072  20.086  1.00 15.48           C  
-ATOM   5676  N   ALA D  87      84.587 106.645  16.456  1.00 17.10           N  
-ATOM   5677  CA  ALA D  87      85.770 106.166  15.746  1.00 17.35           C  
-ATOM   5678  C   ALA D  87      87.036 106.802  16.330  1.00 17.32           C  
-ATOM   5679  O   ALA D  87      87.010 107.932  16.826  1.00 17.26           O  
-ATOM   5680  CB  ALA D  87      85.642 106.427  14.262  1.00 16.94           C  
-ATOM   5681  N   ALA D  88      88.139 106.074  16.282  1.00 17.24           N  
-ATOM   5682  CA  ALA D  88      89.431 106.649  16.591  1.00 17.29           C  
-ATOM   5683  C   ALA D  88      89.997 107.296  15.352  1.00 17.33           C  
-ATOM   5684  O   ALA D  88      90.203 106.623  14.342  1.00 17.47           O  
-ATOM   5685  CB  ALA D  88      90.375 105.584  17.147  1.00 17.56           C  
-ATOM   5686  N   TYR D  89      90.213 108.612  15.413  1.00 17.13           N  
-ATOM   5687  CA  TYR D  89      90.651 109.412  14.255  1.00 17.20           C  
-ATOM   5688  C   TYR D  89      92.081 109.108  13.770  1.00 17.22           C  
-ATOM   5689  O   TYR D  89      92.398 109.374  12.607  1.00 17.41           O  
-ATOM   5690  CB  TYR D  89      90.617 110.897  14.597  1.00 17.24           C  
-ATOM   5691  CG  TYR D  89      89.266 111.552  14.505  1.00 18.42           C  
-ATOM   5692  CD1 TYR D  89      88.204 111.133  15.318  1.00 18.79           C  
-ATOM   5693  CD2 TYR D  89      89.043 112.612  13.619  1.00 18.72           C  
-ATOM   5694  CE1 TYR D  89      86.956 111.763  15.235  1.00 21.76           C  
-ATOM   5695  CE2 TYR D  89      87.802 113.237  13.537  1.00 19.46           C  
-ATOM   5696  CZ  TYR D  89      86.780 112.839  14.345  1.00 22.38           C  
-ATOM   5697  OH  TYR D  89      85.569 113.484  14.232  1.00 24.25           O  
-ATOM   5698  N   ASN D  90      92.945 108.624  14.660  1.00 15.80           N  
-ATOM   5699  CA  ASN D  90      94.293 108.267  14.274  1.00 15.69           C  
-ATOM   5700  C   ASN D  90      94.515 106.731  14.190  1.00 15.55           C  
-ATOM   5701  O   ASN D  90      95.637 106.264  14.177  1.00 15.31           O  
-ATOM   5702  CB  ASN D  90      95.341 108.972  15.178  1.00 15.29           C  
-ATOM   5703  CG  ASN D  90      95.170 108.645  16.670  1.00 16.35           C  
-ATOM   5704  OD1 ASN D  90      94.049 108.615  17.194  1.00 17.02           O  
-ATOM   5705  ND2 ASN D  90      96.280 108.391  17.357  1.00 15.03           N  
-ATOM   5706  N   ALA D  91      93.431 105.965  14.139  1.00 14.86           N  
-ATOM   5707  CA  ALA D  91      93.501 104.523  13.893  1.00 15.53           C  
-ATOM   5708  C   ALA D  91      93.980 104.246  12.478  1.00 15.43           C  
-ATOM   5709  O   ALA D  91      93.535 104.892  11.527  1.00 15.11           O  
-ATOM   5710  CB  ALA D  91      92.124 103.888  14.092  1.00 15.12           C  
-ATOM   5711  N   ILE D  92      94.884 103.293  12.334  1.00 15.68           N  
-ATOM   5712  CA  ILE D  92      95.371 102.907  11.011  1.00 16.38           C  
-ATOM   5713  C   ILE D  92      95.014 101.439  10.701  1.00 17.03           C  
-ATOM   5714  O   ILE D  92      95.475 100.846   9.705  1.00 16.92           O  
-ATOM   5715  CB  ILE D  92      96.880 103.170  10.893  1.00 16.89           C  
-ATOM   5716  CG1 ILE D  92      97.648 102.408  11.978  1.00 16.18           C  
-ATOM   5717  CG2 ILE D  92      97.178 104.720  10.923  1.00 15.51           C  
-ATOM   5718  CD1 ILE D  92      99.129 102.301  11.726  1.00 15.78           C  
-ATOM   5719  N   SER D  93      94.198 100.857  11.556  1.00 17.15           N  
-ATOM   5720  CA  SER D  93      93.588  99.558  11.251  1.00 19.06           C  
-ATOM   5721  C   SER D  93      92.137  99.604  11.722  1.00 19.45           C  
-ATOM   5722  O   SER D  93      91.773 100.444  12.549  1.00 19.48           O  
-ATOM   5723  CB  SER D  93      94.357  98.381  11.923  1.00 18.56           C  
-ATOM   5724  OG  SER D  93      94.126  98.379  13.332  1.00 18.83           O  
-ATOM   5725  N   LYS D  94      91.300  98.728  11.197  1.00 20.88           N  
-ATOM   5726  CA  LYS D  94      89.940  98.693  11.675  1.00 23.04           C  
-ATOM   5727  C   LYS D  94      89.921  98.020  13.073  1.00 23.57           C  
-ATOM   5728  O   LYS D  94      90.757  97.135  13.344  1.00 24.51           O  
-ATOM   5729  CB  LYS D  94      88.993  98.068  10.635  1.00 24.02           C  
-ATOM   5730  CG  LYS D  94      88.791  96.555  10.664  1.00 27.17           C  
-ATOM   5731  CD  LYS D  94      87.700  96.147   9.645  1.00 30.54           C  
-ATOM   5732  CE  LYS D  94      86.398  95.633  10.322  1.00 33.75           C  
-ATOM   5733  NZ  LYS D  94      85.577  96.723  11.003  1.00 39.71           N  
-ATOM   5734  N   PRO D  95      88.999  98.437  13.947  1.00 22.89           N  
-ATOM   5735  CA  PRO D  95      88.982  97.912  15.307  1.00 23.02           C  
-ATOM   5736  C   PRO D  95      88.631  96.427  15.276  1.00 23.62           C  
-ATOM   5737  O   PRO D  95      87.644  96.015  14.661  1.00 24.64           O  
-ATOM   5738  CB  PRO D  95      87.913  98.759  16.027  1.00 22.31           C  
-ATOM   5739  CG  PRO D  95      87.080  99.398  14.969  1.00 21.95           C  
-ATOM   5740  CD  PRO D  95      87.882  99.364  13.691  1.00 22.70           C  
-ATOM   5741  N   GLU D  96      89.502  95.624  15.859  1.00 22.74           N  
-ATOM   5742  CA  GLU D  96      89.250  94.197  16.014  1.00 23.33           C  
-ATOM   5743  C   GLU D  96      88.584  94.010  17.384  1.00 21.85           C  
-ATOM   5744  O   GLU D  96      89.209  94.215  18.408  1.00 21.42           O  
-ATOM   5745  CB  GLU D  96      90.594  93.445  15.918  1.00 23.53           C  
-ATOM   5746  CG  GLU D  96      90.530  91.944  15.800  1.00 28.57           C  
-ATOM   5747  CD  GLU D  96      91.931  91.325  15.636  1.00 35.26           C  
-ATOM   5748  OE1 GLU D  96      92.854  92.050  15.131  1.00 38.41           O  
-ATOM   5749  OE2 GLU D  96      92.134  90.128  16.019  1.00 38.22           O  
-ATOM   5750  N   VAL D  97      87.305  93.671  17.393  1.00 20.84           N  
-ATOM   5751  CA  VAL D  97      86.575  93.415  18.616  1.00 19.54           C  
-ATOM   5752  C   VAL D  97      86.842  91.954  19.060  1.00 19.82           C  
-ATOM   5753  O   VAL D  97      86.536  90.993  18.337  1.00 18.85           O  
-ATOM   5754  CB  VAL D  97      85.051  93.633  18.429  1.00 20.33           C  
-ATOM   5755  CG1 VAL D  97      84.312  93.449  19.766  1.00 19.08           C  
-ATOM   5756  CG2 VAL D  97      84.700  95.058  17.827  1.00 19.19           C  
-ATOM   5757  N   LEU D  98      87.357  91.796  20.268  1.00 18.79           N  
-ATOM   5758  CA  LEU D  98      87.781  90.477  20.728  1.00 19.37           C  
-ATOM   5759  C   LEU D  98      86.726  89.733  21.541  1.00 18.87           C  
-ATOM   5760  O   LEU D  98      86.867  88.545  21.783  1.00 19.33           O  
-ATOM   5761  CB  LEU D  98      89.103  90.613  21.537  1.00 19.29           C  
-ATOM   5762  CG  LEU D  98      90.263  91.396  20.890  1.00 20.24           C  
-ATOM   5763  CD1 LEU D  98      91.436  91.571  21.824  1.00 19.19           C  
-ATOM   5764  CD2 LEU D  98      90.732  90.698  19.632  1.00 20.41           C  
-ATOM   5765  N   THR D  99      85.680  90.442  21.957  1.00 18.27           N  
-ATOM   5766  CA  THR D  99      84.709  89.953  22.924  1.00 18.00           C  
-ATOM   5767  C   THR D  99      83.296  89.812  22.332  1.00 18.47           C  
-ATOM   5768  O   THR D  99      82.990  90.430  21.313  1.00 18.65           O  
-ATOM   5769  CB  THR D  99      84.659  90.917  24.148  1.00 18.24           C  
-ATOM   5770  OG1 THR D  99      84.755  92.282  23.702  1.00 16.66           O  
-ATOM   5771  CG2 THR D  99      85.873  90.737  25.044  1.00 16.80           C  
-ATOM   5772  N   PRO D 100      82.423  89.011  22.963  1.00 18.69           N  
-ATOM   5773  CA  PRO D 100      81.020  88.914  22.508  1.00 18.64           C  
-ATOM   5774  C   PRO D 100      80.395  90.336  22.437  1.00 18.99           C  
-ATOM   5775  O   PRO D 100      80.567  91.148  23.348  1.00 18.41           O  
-ATOM   5776  CB  PRO D 100      80.341  88.036  23.589  1.00 18.47           C  
-ATOM   5777  CG  PRO D 100      81.436  87.239  24.179  1.00 18.96           C  
-ATOM   5778  CD  PRO D 100      82.696  88.136  24.130  1.00 18.45           C  
-ATOM   5779  N   GLN D 101      79.692  90.631  21.355  1.00 19.00           N  
-ATOM   5780  CA  GLN D 101      79.178  91.998  21.129  1.00 19.67           C  
-ATOM   5781  C   GLN D 101      77.825  92.227  21.794  1.00 19.23           C  
-ATOM   5782  O   GLN D 101      76.793  92.394  21.138  1.00 19.49           O  
-ATOM   5783  CB  GLN D 101      79.168  92.316  19.629  1.00 19.89           C  
-ATOM   5784  CG  GLN D 101      80.611  92.389  19.053  1.00 23.75           C  
-ATOM   5785  CD  GLN D 101      80.667  92.547  17.535  1.00 28.97           C  
-ATOM   5786  OE1 GLN D 101      79.936  93.352  16.955  1.00 31.59           O  
-ATOM   5787  NE2 GLN D 101      81.551  91.787  16.892  1.00 29.50           N  
-ATOM   5788  N   LEU D 102      77.852  92.247  23.121  1.00 18.67           N  
-ATOM   5789  CA  LEU D 102      76.639  92.374  23.940  1.00 18.04           C  
-ATOM   5790  C   LEU D 102      76.787  93.598  24.798  1.00 17.30           C  
-ATOM   5791  O   LEU D 102      77.864  93.824  25.355  1.00 16.54           O  
-ATOM   5792  CB  LEU D 102      76.437  91.139  24.845  1.00 17.71           C  
-ATOM   5793  CG  LEU D 102      76.330  89.725  24.206  1.00 20.82           C  
-ATOM   5794  CD1 LEU D 102      76.193  88.640  25.289  1.00 21.32           C  
-ATOM   5795  CD2 LEU D 102      75.168  89.572  23.243  1.00 20.19           C  
-ATOM   5796  N   ALA D 103      75.707  94.354  24.938  1.00 16.47           N  
-ATOM   5797  CA  ALA D 103      75.700  95.500  25.848  1.00 16.89           C  
-ATOM   5798  C   ALA D 103      74.857  95.140  27.039  1.00 17.11           C  
-ATOM   5799  O   ALA D 103      73.995  94.270  26.946  1.00 18.27           O  
-ATOM   5800  CB  ALA D 103      75.133  96.740  25.164  1.00 16.35           C  
-ATOM   5801  N   ARG D 104      75.107  95.792  28.159  1.00 16.48           N  
-ATOM   5802  CA  ARG D 104      74.314  95.605  29.347  1.00 16.25           C  
-ATOM   5803  C   ARG D 104      73.357  96.804  29.429  1.00 15.96           C  
-ATOM   5804  O   ARG D 104      73.783  97.963  29.306  1.00 15.96           O  
-ATOM   5805  CB  ARG D 104      75.262  95.535  30.528  1.00 16.38           C  
-ATOM   5806  CG  ARG D 104      74.718  94.919  31.739  1.00 18.15           C  
-ATOM   5807  CD  ARG D 104      74.509  93.404  31.690  1.00 17.76           C  
-ATOM   5808  NE  ARG D 104      73.856  93.049  32.927  1.00 16.69           N  
-ATOM   5809  CZ  ARG D 104      73.345  91.855  33.240  1.00 17.77           C  
-ATOM   5810  NH1 ARG D 104      73.390  90.824  32.386  1.00 14.08           N  
-ATOM   5811  NH2 ARG D 104      72.790  91.703  34.425  1.00 14.49           N  
-ATOM   5812  N   VAL D 105      72.062  96.517  29.554  1.00 15.69           N  
-ATOM   5813  CA  VAL D 105      71.015  97.539  29.542  1.00 15.13           C  
-ATOM   5814  C   VAL D 105      70.279  97.465  30.885  1.00 15.34           C  
-ATOM   5815  O   VAL D 105      69.781  96.400  31.261  1.00 15.05           O  
-ATOM   5816  CB  VAL D 105      70.014  97.347  28.379  1.00 15.36           C  
-ATOM   5817  CG1 VAL D 105      68.918  98.418  28.409  1.00 14.37           C  
-ATOM   5818  CG2 VAL D 105      70.707  97.332  27.035  1.00 14.89           C  
-ATOM   5819  N   VAL D 106      70.254  98.588  31.602  1.00 14.73           N  
-ATOM   5820  CA  VAL D 106      69.505  98.734  32.838  1.00 14.89           C  
-ATOM   5821  C   VAL D 106      68.059  99.183  32.531  1.00 14.80           C  
-ATOM   5822  O   VAL D 106      67.814  99.830  31.518  1.00 14.39           O  
-ATOM   5823  CB  VAL D 106      70.226  99.734  33.797  1.00 15.22           C  
-ATOM   5824  CG1 VAL D 106      69.581  99.752  35.201  1.00 13.79           C  
-ATOM   5825  CG2 VAL D 106      71.708  99.373  33.923  1.00 15.59           C  
-ATOM   5826  N   SER D 107      67.121  98.829  33.402  1.00 14.96           N  
-ATOM   5827  CA  SER D 107      65.695  99.141  33.215  1.00 15.68           C  
-ATOM   5828  C   SER D 107      65.327 100.631  33.078  1.00 16.20           C  
-ATOM   5829  O   SER D 107      64.251 100.947  32.574  1.00 15.49           O  
-ATOM   5830  CB  SER D 107      64.857  98.528  34.318  1.00 15.29           C  
-ATOM   5831  OG  SER D 107      65.126  99.152  35.559  1.00 15.53           O  
-ATOM   5832  N   ASP D 108      66.218 101.527  33.501  1.00 16.88           N  
-ATOM   5833  CA  ASP D 108      65.997 102.962  33.285  1.00 18.20           C  
-ATOM   5834  C   ASP D 108      66.504 103.458  31.926  1.00 18.09           C  
-ATOM   5835  O   ASP D 108      66.377 104.637  31.595  1.00 18.14           O  
-ATOM   5836  CB  ASP D 108      66.570 103.806  34.435  1.00 18.44           C  
-ATOM   5837  CG  ASP D 108      68.074 103.680  34.579  1.00 21.47           C  
-ATOM   5838  OD1 ASP D 108      68.743 103.061  33.733  1.00 23.28           O  
-ATOM   5839  OD2 ASP D 108      68.688 104.187  35.536  1.00 24.97           O  
-ATOM   5840  N   GLY D 109      67.066 102.551  31.135  1.00 17.85           N  
-ATOM   5841  CA  GLY D 109      67.572 102.900  29.826  1.00 17.74           C  
-ATOM   5842  C   GLY D 109      69.076 103.131  29.765  1.00 18.02           C  
-ATOM   5843  O   GLY D 109      69.596 103.375  28.689  1.00 18.40           O  
-ATOM   5844  N   GLU D 110      69.784 103.047  30.887  1.00 17.73           N  
-ATOM   5845  CA  GLU D 110      71.242 103.206  30.853  1.00 18.85           C  
-ATOM   5846  C   GLU D 110      71.863 101.999  30.169  1.00 17.85           C  
-ATOM   5847  O   GLU D 110      71.496 100.874  30.474  1.00 17.49           O  
-ATOM   5848  CB  GLU D 110      71.847 103.303  32.261  1.00 19.18           C  
-ATOM   5849  CG  GLU D 110      71.558 104.593  33.033  1.00 24.58           C  
-ATOM   5850  CD  GLU D 110      71.927 105.861  32.281  1.00 31.03           C  
-ATOM   5851  OE1 GLU D 110      73.116 106.052  31.897  1.00 33.54           O  
-ATOM   5852  OE2 GLU D 110      71.009 106.662  32.055  1.00 34.32           O  
-ATOM   5853  N   VAL D 111      72.800 102.261  29.257  1.00 17.28           N  
-ATOM   5854  CA  VAL D 111      73.501 101.231  28.519  1.00 16.49           C  
-ATOM   5855  C   VAL D 111      75.004 101.276  28.839  1.00 16.89           C  
-ATOM   5856  O   VAL D 111      75.576 102.367  28.962  1.00 16.24           O  
-ATOM   5857  CB  VAL D 111      73.295 101.380  26.985  1.00 16.36           C  
-ATOM   5858  CG1 VAL D 111      73.868 100.130  26.226  1.00 15.57           C  
-ATOM   5859  CG2 VAL D 111      71.828 101.555  26.646  1.00 14.94           C  
-ATOM   5860  N   LEU D 112      75.621 100.093  28.955  1.00 16.52           N  
-ATOM   5861  CA  LEU D 112      77.051  99.932  29.042  1.00 16.66           C  
-ATOM   5862  C   LEU D 112      77.506  98.938  27.986  1.00 17.20           C  
-ATOM   5863  O   LEU D 112      77.098  97.754  27.997  1.00 16.55           O  
-ATOM   5864  CB  LEU D 112      77.450  99.417  30.424  1.00 17.27           C  
-ATOM   5865  CG  LEU D 112      78.908  98.947  30.640  1.00 19.15           C  
-ATOM   5866  CD1 LEU D 112      79.939 100.053  30.408  1.00 16.53           C  
-ATOM   5867  CD2 LEU D 112      79.071  98.349  32.084  1.00 20.01           C  
-ATOM   5868  N   TYR D 113      78.335  99.411  27.064  1.00 17.04           N  
-ATOM   5869  CA  TYR D 113      78.924  98.565  26.057  1.00 17.73           C  
-ATOM   5870  C   TYR D 113      80.442  98.710  26.229  1.00 17.95           C  
-ATOM   5871  O   TYR D 113      80.989  99.829  26.175  1.00 17.53           O  
-ATOM   5872  CB  TYR D 113      78.488  98.981  24.648  1.00 17.51           C  
-ATOM   5873  CG  TYR D 113      79.098  98.112  23.559  1.00 19.13           C  
-ATOM   5874  CD1 TYR D 113      79.159  96.697  23.705  1.00 20.32           C  
-ATOM   5875  CD2 TYR D 113      79.626  98.672  22.417  1.00 20.07           C  
-ATOM   5876  CE1 TYR D 113      79.713  95.896  22.718  1.00 21.96           C  
-ATOM   5877  CE2 TYR D 113      80.188  97.882  21.415  1.00 20.22           C  
-ATOM   5878  CZ  TYR D 113      80.234  96.500  21.575  1.00 22.95           C  
-ATOM   5879  OH  TYR D 113      80.794  95.720  20.597  1.00 26.93           O  
-ATOM   5880  N   MET D 114      81.112  97.588  26.480  1.00 17.50           N  
-ATOM   5881  CA  MET D 114      82.517  97.609  26.816  1.00 17.63           C  
-ATOM   5882  C   MET D 114      83.241  96.494  26.087  1.00 17.03           C  
-ATOM   5883  O   MET D 114      83.643  95.542  26.715  1.00 16.80           O  
-ATOM   5884  CB  MET D 114      82.690  97.442  28.338  1.00 18.30           C  
-ATOM   5885  CG  MET D 114      84.121  97.732  28.847  1.00 20.92           C  
-ATOM   5886  SD  MET D 114      84.272  97.961  30.638  1.00 27.67           S  
-ATOM   5887  CE  MET D 114      82.689  97.926  31.154  1.00 26.61           C  
-ATOM   5888  N   PRO D 115      83.447  96.636  24.786  1.00 16.54           N  
-ATOM   5889  CA  PRO D 115      84.215  95.638  24.035  1.00 16.86           C  
-ATOM   5890  C   PRO D 115      85.723  95.739  24.300  1.00 17.07           C  
-ATOM   5891  O   PRO D 115      86.249  96.819  24.657  1.00 16.58           O  
-ATOM   5892  CB  PRO D 115      83.872  95.961  22.570  1.00 16.79           C  
-ATOM   5893  CG  PRO D 115      83.603  97.526  22.589  1.00 16.88           C  
-ATOM   5894  CD  PRO D 115      82.972  97.734  23.924  1.00 16.64           C  
-ATOM   5895  N   SER D 116      86.402  94.590  24.210  1.00 16.89           N  
-ATOM   5896  CA  SER D 116      87.843  94.553  24.176  1.00 17.08           C  
-ATOM   5897  C   SER D 116      88.250  94.736  22.715  1.00 17.16           C  
-ATOM   5898  O   SER D 116      87.787  94.015  21.831  1.00 17.03           O  
-ATOM   5899  CB  SER D 116      88.376  93.239  24.691  1.00 16.84           C  
-ATOM   5900  OG  SER D 116      89.784  93.297  24.757  1.00 18.77           O  
-ATOM   5901  N   ILE D 117      89.094  95.717  22.451  1.00 17.37           N  
-ATOM   5902  CA  ILE D 117      89.431  96.041  21.078  1.00 17.74           C  
-ATOM   5903  C   ILE D 117      90.933  95.951  20.858  1.00 17.59           C  
-ATOM   5904  O   ILE D 117      91.726  96.403  21.688  1.00 17.74           O  
-ATOM   5905  CB  ILE D 117      88.875  97.460  20.723  1.00 18.63           C  
-ATOM   5906  CG1 ILE D 117      87.337  97.399  20.659  1.00 20.06           C  
-ATOM   5907  CG2 ILE D 117      89.478  97.975  19.376  1.00 17.88           C  
-ATOM   5908  CD1 ILE D 117      86.701  98.724  20.308  1.00 20.84           C  
-ATOM   5909  N   ARG D 118      91.329  95.306  19.772  1.00 17.53           N  
-ATOM   5910  CA  ARG D 118      92.687  95.432  19.298  1.00 17.94           C  
-ATOM   5911  C   ARG D 118      92.740  96.348  18.061  1.00 17.80           C  
-ATOM   5912  O   ARG D 118      92.019  96.130  17.078  1.00 17.24           O  
-ATOM   5913  CB  ARG D 118      93.293  94.074  18.987  1.00 18.03           C  
-ATOM   5914  CG  ARG D 118      94.757  94.174  18.564  1.00 19.78           C  
-ATOM   5915  CD  ARG D 118      95.411  92.866  18.218  1.00 23.08           C  
-ATOM   5916  NE  ARG D 118      96.825  93.033  17.924  1.00 26.44           N  
-ATOM   5917  CZ  ARG D 118      97.746  92.076  17.997  1.00 27.97           C  
-ATOM   5918  NH1 ARG D 118      97.431  90.842  18.395  1.00 27.78           N  
-ATOM   5919  NH2 ARG D 118      99.001  92.362  17.690  1.00 27.38           N  
-ATOM   5920  N   GLN D 119      93.605  97.352  18.115  1.00 17.17           N  
-ATOM   5921  CA  GLN D 119      93.671  98.362  17.050  1.00 17.18           C  
-ATOM   5922  C   GLN D 119      95.056  98.989  17.002  1.00 16.93           C  
-ATOM   5923  O   GLN D 119      95.737  99.086  18.037  1.00 16.85           O  
-ATOM   5924  CB  GLN D 119      92.593  99.453  17.271  1.00 16.97           C  
-ATOM   5925  CG  GLN D 119      92.303 100.286  16.044  1.00 17.75           C  
-ATOM   5926  CD  GLN D 119      91.022 101.084  16.139  1.00 18.09           C  
-ATOM   5927  OE1 GLN D 119      90.589 101.439  17.205  1.00 20.12           O  
-ATOM   5928  NE2 GLN D 119      90.415 101.345  15.013  1.00 18.30           N  
-ATOM   5929  N   ARG D 120      95.460  99.391  15.800  1.00 16.94           N  
-ATOM   5930  CA  ARG D 120      96.736 100.032  15.564  1.00 17.42           C  
-ATOM   5931  C   ARG D 120      96.488 101.552  15.400  1.00 17.45           C  
-ATOM   5932  O   ARG D 120      95.446 101.963  14.868  1.00 16.69           O  
-ATOM   5933  CB  ARG D 120      97.388  99.500  14.277  1.00 18.16           C  
-ATOM   5934  CG  ARG D 120      97.876  98.035  14.304  1.00 21.77           C  
-ATOM   5935  CD  ARG D 120      98.048  97.380  12.892  1.00 27.70           C  
-ATOM   5936  NE  ARG D 120      97.242  96.146  12.776  1.00 35.21           N  
-ATOM   5937  CZ  ARG D 120      97.182  95.352  11.701  1.00 37.65           C  
-ATOM   5938  NH1 ARG D 120      97.879  95.632  10.595  1.00 38.72           N  
-ATOM   5939  NH2 ARG D 120      96.414  94.262  11.733  1.00 39.75           N  
-ATOM   5940  N   PHE D 121      97.467 102.351  15.817  1.00 16.12           N  
-ATOM   5941  CA  PHE D 121      97.347 103.816  15.852  1.00 16.88           C  
-ATOM   5942  C   PHE D 121      98.619 104.447  15.326  1.00 16.42           C  
-ATOM   5943  O   PHE D 121      99.700 103.863  15.413  1.00 16.67           O  
-ATOM   5944  CB  PHE D 121      97.052 104.331  17.261  1.00 14.25           C  
-ATOM   5945  CG  PHE D 121      95.748 103.860  17.783  1.00 16.03           C  
-ATOM   5946  CD1 PHE D 121      94.549 104.433  17.320  1.00 14.57           C  
-ATOM   5947  CD2 PHE D 121      95.686 102.811  18.717  1.00 11.03           C  
-ATOM   5948  CE1 PHE D 121      93.334 103.964  17.774  1.00 14.79           C  
-ATOM   5949  CE2 PHE D 121      94.482 102.386  19.191  1.00 13.06           C  
-ATOM   5950  CZ  PHE D 121      93.291 102.925  18.708  1.00 11.37           C  
-ATOM   5951  N   SER D 122      98.462 105.629  14.771  1.00 16.18           N  
-ATOM   5952  CA  SER D 122      99.584 106.483  14.411  1.00 16.77           C  
-ATOM   5953  C   SER D 122      99.697 107.522  15.511  1.00 17.37           C  
-ATOM   5954  O   SER D 122      98.742 108.234  15.794  1.00 16.56           O  
-ATOM   5955  CB  SER D 122      99.304 107.171  13.073  1.00 16.49           C  
-ATOM   5956  OG  SER D 122     100.183 108.282  12.883  1.00 16.25           O  
-ATOM   5957  N   CYS D 123     100.843 107.559  16.176  1.00 18.23           N  
-ATOM   5958  CA  CYS D 123     101.026 108.473  17.293  1.00 20.12           C  
-ATOM   5959  C   CYS D 123     102.488 108.592  17.676  1.00 19.87           C  
-ATOM   5960  O   CYS D 123     103.332 107.855  17.157  1.00 19.85           O  
-ATOM   5961  CB  CYS D 123     100.184 108.049  18.516  1.00 20.92           C  
-ATOM   5962  SG  CYS D 123     100.556 106.415  19.206  1.00 26.52           S  
-ATOM   5963  N   ASP D 124     102.773 109.523  18.585  1.00 19.94           N  
-ATOM   5964  CA  ASP D 124     104.138 109.845  19.015  1.00 19.82           C  
-ATOM   5965  C   ASP D 124     104.746 108.741  19.868  1.00 19.58           C  
-ATOM   5966  O   ASP D 124     104.382 108.592  21.041  1.00 19.53           O  
-ATOM   5967  CB  ASP D 124     104.151 111.156  19.806  1.00 19.57           C  
-ATOM   5968  CG  ASP D 124     105.514 111.802  19.840  1.00 20.50           C  
-ATOM   5969  OD1 ASP D 124     106.473 111.194  19.321  1.00 19.86           O  
-ATOM   5970  OD2 ASP D 124     105.719 112.940  20.350  1.00 21.47           O  
-ATOM   5971  N   VAL D 125     105.663 107.983  19.275  1.00 19.15           N  
-ATOM   5972  CA  VAL D 125     106.291 106.855  19.954  1.00 18.96           C  
-ATOM   5973  C   VAL D 125     107.682 107.272  20.487  1.00 18.80           C  
-ATOM   5974  O   VAL D 125     108.337 106.517  21.209  1.00 18.51           O  
-ATOM   5975  CB  VAL D 125     106.343 105.590  19.034  1.00 19.07           C  
-ATOM   5976  CG1 VAL D 125     107.065 104.429  19.698  1.00 19.10           C  
-ATOM   5977  CG2 VAL D 125     104.937 105.129  18.673  1.00 18.84           C  
-ATOM   5978  N   SER D 126     108.111 108.494  20.168  1.00 18.49           N  
-ATOM   5979  CA  SER D 126     109.430 108.977  20.605  1.00 18.54           C  
-ATOM   5980  C   SER D 126     109.571 108.983  22.126  1.00 18.22           C  
-ATOM   5981  O   SER D 126     108.640 109.368  22.831  1.00 18.06           O  
-ATOM   5982  CB  SER D 126     109.743 110.373  20.043  1.00 18.46           C  
-ATOM   5983  OG  SER D 126     108.919 111.375  20.632  1.00 18.90           O  
-ATOM   5984  N   GLY D 127     110.731 108.552  22.611  1.00 17.64           N  
-ATOM   5985  CA  GLY D 127     110.956 108.433  24.035  1.00 17.64           C  
-ATOM   5986  C   GLY D 127     110.464 107.158  24.717  1.00 17.49           C  
-ATOM   5987  O   GLY D 127     110.620 107.020  25.925  1.00 17.37           O  
-ATOM   5988  N   VAL D 128     109.900 106.221  23.957  1.00 17.12           N  
-ATOM   5989  CA  VAL D 128     109.378 104.984  24.542  1.00 17.32           C  
-ATOM   5990  C   VAL D 128     110.432 104.223  25.348  1.00 17.34           C  
-ATOM   5991  O   VAL D 128     110.112 103.515  26.311  1.00 17.33           O  
-ATOM   5992  CB  VAL D 128     108.707 104.046  23.483  1.00 17.14           C  
-ATOM   5993  CG1 VAL D 128     109.712 103.494  22.499  1.00 16.97           C  
-ATOM   5994  CG2 VAL D 128     107.946 102.896  24.176  1.00 17.17           C  
-ATOM   5995  N   ASP D 129     111.678 104.397  24.934  1.00 17.32           N  
-ATOM   5996  CA  ASP D 129     112.824 103.706  25.499  1.00 18.13           C  
-ATOM   5997  C   ASP D 129     113.447 104.426  26.682  1.00 17.87           C  
-ATOM   5998  O   ASP D 129     114.328 103.877  27.336  1.00 18.59           O  
-ATOM   5999  CB  ASP D 129     113.904 103.613  24.434  1.00 18.68           C  
-ATOM   6000  CG  ASP D 129     113.912 102.295  23.709  1.00 20.60           C  
-ATOM   6001  OD1 ASP D 129     112.947 101.483  23.832  1.00 22.15           O  
-ATOM   6002  OD2 ASP D 129     114.875 102.010  22.959  1.00 21.01           O  
-ATOM   6003  N   THR D 130     113.045 105.667  26.931  1.00 17.28           N  
-ATOM   6004  CA  THR D 130     113.603 106.422  28.055  1.00 16.63           C  
-ATOM   6005  C   THR D 130     112.707 106.330  29.272  1.00 16.75           C  
-ATOM   6006  O   THR D 130     111.630 105.723  29.227  1.00 15.91           O  
-ATOM   6007  CB  THR D 130     113.790 107.912  27.689  1.00 16.94           C  
-ATOM   6008  OG1 THR D 130     112.517 108.562  27.690  1.00 14.74           O  
-ATOM   6009  CG2 THR D 130     114.321 108.087  26.253  1.00 16.78           C  
-ATOM   6010  N   GLU D 131     113.139 106.985  30.339  1.00 16.87           N  
-ATOM   6011  CA  GLU D 131     112.476 106.932  31.633  1.00 17.97           C  
-ATOM   6012  C   GLU D 131     111.183 107.764  31.683  1.00 17.84           C  
-ATOM   6013  O   GLU D 131     110.212 107.385  32.335  1.00 17.64           O  
-ATOM   6014  CB  GLU D 131     113.473 107.355  32.726  1.00 18.12           C  
-ATOM   6015  CG  GLU D 131     113.246 106.730  34.104  1.00 20.48           C  
-ATOM   6016  CD  GLU D 131     113.691 105.266  34.217  1.00 21.97           C  
-ATOM   6017  OE1 GLU D 131     114.913 104.984  34.167  1.00 20.69           O  
-ATOM   6018  OE2 GLU D 131     112.804 104.393  34.391  1.00 23.13           O  
-ATOM   6019  N   SER D 132     111.173 108.894  30.990  1.00 18.32           N  
-ATOM   6020  CA  SER D 132     109.975 109.721  30.898  1.00 18.85           C  
-ATOM   6021  C   SER D 132     108.933 109.101  29.950  1.00 18.67           C  
-ATOM   6022  O   SER D 132     107.747 109.417  30.032  1.00 18.89           O  
-ATOM   6023  CB  SER D 132     110.336 111.179  30.533  1.00 19.39           C  
-ATOM   6024  OG  SER D 132     110.215 111.427  29.144  1.00 19.68           O  
-ATOM   6025  N   GLY D 133     109.380 108.197  29.084  1.00 18.55           N  
-ATOM   6026  CA  GLY D 133     108.476 107.408  28.244  1.00 18.18           C  
-ATOM   6027  C   GLY D 133     107.904 108.151  27.050  1.00 18.38           C  
-ATOM   6028  O   GLY D 133     108.181 109.356  26.855  1.00 17.57           O  
-ATOM   6029  N   ALA D 134     107.112 107.440  26.242  1.00 18.17           N  
-ATOM   6030  CA  ALA D 134     106.413 108.066  25.136  1.00 18.59           C  
-ATOM   6031  C   ALA D 134     104.992 108.474  25.556  1.00 19.29           C  
-ATOM   6032  O   ALA D 134     104.470 107.996  26.562  1.00 19.09           O  
-ATOM   6033  CB  ALA D 134     106.395 107.161  23.922  1.00 18.03           C  
-ATOM   6034  N   THR D 135     104.388 109.390  24.800  1.00 19.94           N  
-ATOM   6035  CA  THR D 135     103.015 109.789  25.031  1.00 20.58           C  
-ATOM   6036  C   THR D 135     102.235 109.671  23.715  1.00 21.41           C  
-ATOM   6037  O   THR D 135     102.333 110.539  22.841  1.00 21.34           O  
-ATOM   6038  CB  THR D 135     102.949 111.223  25.623  1.00 20.39           C  
-ATOM   6039  OG1 THR D 135     103.711 111.286  26.845  1.00 20.11           O  
-ATOM   6040  CG2 THR D 135     101.534 111.560  26.078  1.00 18.43           C  
-ATOM   6041  N   CYS D 136     101.484 108.577  23.600  1.00 21.60           N  
-ATOM   6042  CA  CYS D 136     100.608 108.285  22.474  1.00 22.89           C  
-ATOM   6043  C   CYS D 136      99.217 108.848  22.763  1.00 22.26           C  
-ATOM   6044  O   CYS D 136      98.605 108.492  23.760  1.00 22.62           O  
-ATOM   6045  CB  CYS D 136     100.526 106.759  22.254  1.00 22.66           C  
-ATOM   6046  SG  CYS D 136      99.427 106.182  20.903  1.00 29.17           S  
-ATOM   6047  N   ARG D 137      98.738 109.721  21.891  1.00 21.97           N  
-ATOM   6048  CA  ARG D 137      97.401 110.316  21.997  1.00 21.61           C  
-ATOM   6049  C   ARG D 137      96.414 109.587  21.092  1.00 20.71           C  
-ATOM   6050  O   ARG D 137      96.676 109.455  19.894  1.00 20.33           O  
-ATOM   6051  CB  ARG D 137      97.461 111.744  21.485  1.00 22.21           C  
-ATOM   6052  CG  ARG D 137      96.650 112.737  22.242  1.00 22.90           C  
-ATOM   6053  CD  ARG D 137      97.211 114.134  22.092  1.00 25.77           C  
-ATOM   6054  NE  ARG D 137      97.083 114.603  20.711  1.00 26.79           N  
-ATOM   6055  CZ  ARG D 137      98.120 114.869  19.923  1.00 27.01           C  
-ATOM   6056  NH1 ARG D 137      99.364 114.689  20.376  1.00 27.22           N  
-ATOM   6057  NH2 ARG D 137      97.921 115.293  18.682  1.00 24.81           N  
-ATOM   6058  N   ILE D 138      95.286 109.155  21.650  1.00 19.15           N  
-ATOM   6059  CA  ILE D 138      94.226 108.523  20.882  1.00 18.48           C  
-ATOM   6060  C   ILE D 138      92.975 109.411  20.887  1.00 18.23           C  
-ATOM   6061  O   ILE D 138      92.450 109.746  21.957  1.00 18.20           O  
-ATOM   6062  CB  ILE D 138      93.886 107.106  21.455  1.00 17.93           C  
-ATOM   6063  CG1 ILE D 138      95.107 106.168  21.366  1.00 17.71           C  
-ATOM   6064  CG2 ILE D 138      92.724 106.505  20.681  1.00 17.58           C  
-ATOM   6065  CD1 ILE D 138      94.904 104.761  22.028  1.00 20.97           C  
-ATOM   6066  N   LYS D 139      92.521 109.803  19.696  1.00 17.45           N  
-ATOM   6067  CA  LYS D 139      91.393 110.732  19.539  1.00 17.28           C  
-ATOM   6068  C   LYS D 139      90.144 109.950  19.137  1.00 16.95           C  
-ATOM   6069  O   LYS D 139      90.140 109.279  18.097  1.00 16.73           O  
-ATOM   6070  CB  LYS D 139      91.733 111.803  18.472  1.00 16.66           C  
-ATOM   6071  CG  LYS D 139      90.598 112.764  18.084  1.00 18.10           C  
-ATOM   6072  CD  LYS D 139      91.108 113.904  17.104  1.00 22.51           C  
-ATOM   6073  CE  LYS D 139      89.962 114.662  16.398  1.00 23.96           C  
-ATOM   6074  NZ  LYS D 139      90.326 115.363  15.054  1.00 24.17           N  
-ATOM   6075  N   ILE D 140      89.095 110.022  19.956  1.00 16.67           N  
-ATOM   6076  CA  ILE D 140      87.856 109.280  19.707  1.00 16.61           C  
-ATOM   6077  C   ILE D 140      86.640 110.183  19.773  1.00 16.26           C  
-ATOM   6078  O   ILE D 140      86.473 110.942  20.740  1.00 15.96           O  
-ATOM   6079  CB  ILE D 140      87.684 108.157  20.691  1.00 17.06           C  
-ATOM   6080  CG1 ILE D 140      88.829 107.149  20.530  1.00 17.35           C  
-ATOM   6081  CG2 ILE D 140      86.275 107.491  20.527  1.00 16.14           C  
-ATOM   6082  CD1 ILE D 140      88.384 105.754  20.283  1.00 22.24           C  
-ATOM   6083  N   GLY D 141      85.777 110.083  18.765  1.00 14.93           N  
-ATOM   6084  CA  GLY D 141      84.568 110.891  18.746  1.00 15.04           C  
-ATOM   6085  C   GLY D 141      83.555 110.310  17.785  1.00 14.82           C  
-ATOM   6086  O   GLY D 141      83.870 109.344  17.059  1.00 14.45           O  
-ATOM   6087  N   SER D 142      82.345 110.870  17.779  1.00 13.90           N  
-ATOM   6088  CA  SER D 142      81.338 110.424  16.824  1.00 13.78           C  
-ATOM   6089  C   SER D 142      81.808 110.806  15.423  1.00 13.53           C  
-ATOM   6090  O   SER D 142      82.243 111.962  15.189  1.00 13.58           O  
-ATOM   6091  CB  SER D 142      79.979 111.058  17.088  1.00 14.47           C  
-ATOM   6092  OG  SER D 142      79.179 111.053  15.893  1.00 16.42           O  
-ATOM   6093  N   TRP D 143      81.715 109.861  14.494  1.00 12.41           N  
-ATOM   6094  CA  TRP D 143      82.097 110.110  13.100  1.00 11.91           C  
-ATOM   6095  C   TRP D 143      81.145 111.055  12.366  1.00 11.97           C  
-ATOM   6096  O   TRP D 143      81.563 111.815  11.504  1.00 12.02           O  
-ATOM   6097  CB  TRP D 143      82.185 108.789  12.331  1.00 11.71           C  
-ATOM   6098  CG  TRP D 143      82.974 108.914  11.095  1.00 13.30           C  
-ATOM   6099  CD1 TRP D 143      82.535 108.732   9.828  1.00 12.28           C  
-ATOM   6100  CD2 TRP D 143      84.343 109.339  10.987  1.00 13.12           C  
-ATOM   6101  NE1 TRP D 143      83.552 108.966   8.934  1.00 12.64           N  
-ATOM   6102  CE2 TRP D 143      84.674 109.337   9.622  1.00 14.56           C  
-ATOM   6103  CE3 TRP D 143      85.326 109.688  11.907  1.00 11.15           C  
-ATOM   6104  CZ2 TRP D 143      85.947 109.718   9.152  1.00 17.52           C  
-ATOM   6105  CZ3 TRP D 143      86.592 110.009  11.455  1.00 11.78           C  
-ATOM   6106  CH2 TRP D 143      86.890 110.053  10.094  1.00 13.59           C  
-ATOM   6107  N   THR D 144      79.841 110.950  12.652  1.00 11.84           N  
-ATOM   6108  CA  THR D 144      78.824 111.637  11.876  1.00 11.20           C  
-ATOM   6109  C   THR D 144      77.858 112.483  12.666  1.00 11.18           C  
-ATOM   6110  O   THR D 144      77.007 113.080  12.068  1.00 11.01           O  
-ATOM   6111  CB  THR D 144      77.962 110.651  10.974  1.00 11.68           C  
-ATOM   6112  OG1 THR D 144      77.107 109.844  11.797  1.00  9.25           O  
-ATOM   6113  CG2 THR D 144      78.835 109.667  10.174  1.00 10.09           C  
-ATOM   6114  N   HIS D 145      77.975 112.520  13.986  1.00 11.05           N  
-ATOM   6115  CA  HIS D 145      77.067 113.300  14.815  1.00 11.15           C  
-ATOM   6116  C   HIS D 145      77.817 114.474  15.461  1.00 11.14           C  
-ATOM   6117  O   HIS D 145      78.725 114.269  16.247  1.00 11.14           O  
-ATOM   6118  CB  HIS D 145      76.441 112.392  15.907  1.00 11.35           C  
-ATOM   6119  CG  HIS D 145      75.463 111.390  15.371  1.00 10.98           C  
-ATOM   6120  ND1 HIS D 145      74.216 111.752  14.899  1.00 11.20           N  
-ATOM   6121  CD2 HIS D 145      75.546 110.042  15.232  1.00 12.44           C  
-ATOM   6122  CE1 HIS D 145      73.576 110.665  14.491  1.00 14.40           C  
-ATOM   6123  NE2 HIS D 145      74.355 109.611  14.699  1.00 13.06           N  
-ATOM   6124  N   HIS D 146      77.429 115.699  15.136  1.00 10.94           N  
-ATOM   6125  CA  HIS D 146      78.043 116.878  15.721  1.00 11.26           C  
-ATOM   6126  C   HIS D 146      77.545 117.136  17.150  1.00 11.53           C  
-ATOM   6127  O   HIS D 146      76.729 116.381  17.685  1.00 11.43           O  
-ATOM   6128  CB  HIS D 146      77.846 118.113  14.837  1.00 12.46           C  
-ATOM   6129  CG  HIS D 146      76.422 118.377  14.482  1.00 13.09           C  
-ATOM   6130  ND1 HIS D 146      75.586 119.123  15.282  1.00 14.03           N  
-ATOM   6131  CD2 HIS D 146      75.678 117.976  13.425  1.00 13.38           C  
-ATOM   6132  CE1 HIS D 146      74.381 119.154  14.743  1.00 14.27           C  
-ATOM   6133  NE2 HIS D 146      74.414 118.496  13.600  1.00 13.07           N  
-ATOM   6134  N   SER D 147      78.030 118.210  17.757  1.00 11.60           N  
-ATOM   6135  CA  SER D 147      77.866 118.425  19.190  1.00 11.77           C  
-ATOM   6136  C   SER D 147      76.448 118.633  19.670  1.00 11.92           C  
-ATOM   6137  O   SER D 147      76.165 118.385  20.833  1.00 12.26           O  
-ATOM   6138  CB  SER D 147      78.789 119.525  19.727  1.00 11.83           C  
-ATOM   6139  OG  SER D 147      78.521 120.758  19.108  1.00 12.65           O  
-ATOM   6140  N   ARG D 148      75.534 119.069  18.805  1.00 12.48           N  
-ATOM   6141  CA  ARG D 148      74.117 119.110  19.217  1.00 12.68           C  
-ATOM   6142  C   ARG D 148      73.412 117.732  19.227  1.00 12.65           C  
-ATOM   6143  O   ARG D 148      72.283 117.618  19.696  1.00 13.02           O  
-ATOM   6144  CB  ARG D 148      73.350 120.161  18.406  1.00 12.14           C  
-ATOM   6145  CG  ARG D 148      73.733 121.601  18.812  1.00 14.19           C  
-ATOM   6146  CD  ARG D 148      73.102 122.737  17.963  1.00 20.64           C  
-ATOM   6147  NE  ARG D 148      73.305 122.571  16.517  1.00 25.26           N  
-ATOM   6148  CZ  ARG D 148      72.332 122.301  15.634  1.00 28.22           C  
-ATOM   6149  NH1 ARG D 148      71.064 122.153  16.031  1.00 28.88           N  
-ATOM   6150  NH2 ARG D 148      72.621 122.176  14.344  1.00 27.98           N  
-ATOM   6151  N   GLU D 149      74.078 116.699  18.719  1.00 12.04           N  
-ATOM   6152  CA  GLU D 149      73.504 115.345  18.659  1.00 12.60           C  
-ATOM   6153  C   GLU D 149      74.211 114.348  19.597  1.00 12.47           C  
-ATOM   6154  O   GLU D 149      73.549 113.634  20.313  1.00 12.19           O  
-ATOM   6155  CB  GLU D 149      73.496 114.812  17.217  1.00 12.06           C  
-ATOM   6156  CG  GLU D 149      72.803 115.785  16.282  1.00 11.94           C  
-ATOM   6157  CD  GLU D 149      72.480 115.243  14.897  1.00 15.80           C  
-ATOM   6158  OE1 GLU D 149      73.005 114.187  14.480  1.00 19.58           O  
-ATOM   6159  OE2 GLU D 149      71.698 115.914  14.190  1.00 19.29           O  
-ATOM   6160  N   ILE D 150      75.545 114.315  19.570  1.00 12.67           N  
-ATOM   6161  CA  ILE D 150      76.347 113.571  20.527  1.00 13.05           C  
-ATOM   6162  C   ILE D 150      77.416 114.456  21.231  1.00 14.51           C  
-ATOM   6163  O   ILE D 150      78.216 115.111  20.558  1.00 14.66           O  
-ATOM   6164  CB  ILE D 150      77.013 112.335  19.813  1.00 12.35           C  
-ATOM   6165  CG1 ILE D 150      75.942 111.286  19.436  1.00  9.72           C  
-ATOM   6166  CG2 ILE D 150      78.128 111.803  20.666  1.00  8.91           C  
-ATOM   6167  CD1 ILE D 150      76.462 109.953  18.769  1.00 15.03           C  
-ATOM   6168  N   SER D 151      77.407 114.488  22.564  1.00 15.61           N  
-ATOM   6169  CA  SER D 151      78.576 114.944  23.319  1.00 17.96           C  
-ATOM   6170  C   SER D 151      79.385 113.757  23.869  1.00 19.38           C  
-ATOM   6171  O   SER D 151      78.818 112.708  24.226  1.00 19.40           O  
-ATOM   6172  CB  SER D 151      78.255 115.960  24.440  1.00 18.33           C  
-ATOM   6173  OG  SER D 151      77.053 115.703  25.125  1.00 21.13           O  
-ATOM   6174  N   VAL D 152      80.710 113.889  23.851  1.00 20.93           N  
-ATOM   6175  CA  VAL D 152      81.564 112.829  24.394  1.00 23.30           C  
-ATOM   6176  C   VAL D 152      82.308 113.371  25.568  1.00 25.11           C  
-ATOM   6177  O   VAL D 152      82.874 114.462  25.485  1.00 24.93           O  
-ATOM   6178  CB  VAL D 152      82.602 112.257  23.406  1.00 23.44           C  
-ATOM   6179  CG1 VAL D 152      82.131 110.936  22.858  1.00 24.68           C  
-ATOM   6180  CG2 VAL D 152      82.873 113.213  22.282  1.00 25.92           C  
-ATOM   6181  N   ASP D 153      82.281 112.601  26.660  1.00 28.95           N  
-ATOM   6182  CA  ASP D 153      82.900 112.971  27.940  1.00 32.54           C  
-ATOM   6183  C   ASP D 153      83.775 111.844  28.527  1.00 33.90           C  
-ATOM   6184  O   ASP D 153      83.433 110.656  28.444  1.00 32.66           O  
-ATOM   6185  CB  ASP D 153      81.837 113.395  28.965  1.00 32.54           C  
-ATOM   6186  CG  ASP D 153      80.705 114.209  28.337  1.00 36.67           C  
-ATOM   6187  OD1 ASP D 153      79.922 113.644  27.521  1.00 40.50           O  
-ATOM   6188  OD2 ASP D 153      80.507 115.419  28.622  1.00 40.24           O  
-ATOM   6189  N   PRO D 154      84.899 112.232  29.122  1.00 36.15           N  
-ATOM   6190  CA  PRO D 154      85.740 111.292  29.850  1.00 38.29           C  
-ATOM   6191  C   PRO D 154      85.346 111.328  31.308  1.00 40.73           C  
-ATOM   6192  O   PRO D 154      86.125 111.853  32.111  1.00 41.65           O  
-ATOM   6193  CB  PRO D 154      87.135 111.886  29.676  1.00 38.28           C  
-ATOM   6194  CG  PRO D 154      86.926 113.379  29.368  1.00 37.13           C  
-ATOM   6195  CD  PRO D 154      85.458 113.597  29.142  1.00 36.62           C  
-ATOM   6196  N   THR D 155      84.168 110.806  31.652  1.00 43.38           N  
-ATOM   6197  CA  THR D 155      83.656 110.937  33.026  1.00 45.80           C  
-ATOM   6198  C   THR D 155      84.673 110.353  34.001  1.00 47.11           C  
-ATOM   6199  O   THR D 155      85.218 109.259  33.759  1.00 47.25           O  
-ATOM   6200  CB  THR D 155      82.228 110.304  33.223  1.00 46.13           C  
-ATOM   6201  OG1 THR D 155      81.300 110.831  32.251  1.00 46.38           O  
-ATOM   6202  CG2 THR D 155      81.618 110.742  34.589  1.00 46.08           C  
-ATOM   6203  N   THR D 156      84.931 111.109  35.072  1.00 48.56           N  
-ATOM   6204  CA  THR D 156      85.958 110.774  36.060  1.00 50.05           C  
-ATOM   6205  C   THR D 156      85.539 109.617  36.945  1.00 50.88           C  
-ATOM   6206  O   THR D 156      84.344 109.307  37.088  1.00 50.86           O  
-ATOM   6207  CB  THR D 156      86.350 111.994  36.982  1.00 50.21           C  
-ATOM   6208  OG1 THR D 156      85.729 113.208  36.531  1.00 50.47           O  
-ATOM   6209  CG2 THR D 156      87.869 112.283  36.907  1.00 50.24           C  
-ATOM   6210  N   GLU D 157      86.561 108.981  37.515  1.00 51.95           N  
-ATOM   6211  CA  GLU D 157      86.423 108.060  38.634  1.00 52.64           C  
-ATOM   6212  C   GLU D 157      87.620 108.290  39.583  1.00 52.96           C  
-ATOM   6213  O   GLU D 157      88.116 109.415  39.710  1.00 52.90           O  
-ATOM   6214  CB  GLU D 157      86.313 106.607  38.135  1.00 52.65           C  
-ATOM   6215  CG  GLU D 157      84.920 106.228  37.629  1.00 53.05           C  
-ATOM   6216  CD  GLU D 157      84.934 105.308  36.410  1.00 53.42           C  
-ATOM   6217  OE1 GLU D 157      84.848 104.075  36.594  1.00 52.29           O  
-ATOM   6218  OE2 GLU D 157      85.019 105.815  35.265  1.00 53.76           O  
-ATOM   6219  N   ASN D 158      88.033 107.236  40.279  1.00 53.37           N  
-ATOM   6220  CA  ASN D 158      89.353 107.160  40.903  1.00 53.55           C  
-ATOM   6221  C   ASN D 158      90.175 106.213  40.004  1.00 53.27           C  
-ATOM   6222  O   ASN D 158      91.386 106.034  40.187  1.00 53.48           O  
-ATOM   6223  CB  ASN D 158      89.207 106.670  42.366  1.00 53.70           C  
-ATOM   6224  CG  ASN D 158      90.481 106.053  42.935  1.00 54.16           C  
-ATOM   6225  OD1 ASN D 158      90.676 104.834  42.880  1.00 54.40           O  
-ATOM   6226  ND2 ASN D 158      91.340 106.889  43.508  1.00 54.85           N  
-ATOM   6227  N   SER D 159      89.471 105.665  39.004  1.00 52.74           N  
-ATOM   6228  CA  SER D 159      89.920 104.638  38.048  1.00 52.20           C  
-ATOM   6229  C   SER D 159      91.422 104.510  37.739  1.00 51.75           C  
-ATOM   6230  O   SER D 159      91.912 105.132  36.778  1.00 51.79           O  
-ATOM   6231  CB  SER D 159      89.152 104.796  36.724  1.00 52.39           C  
-ATOM   6232  OG  SER D 159      89.132 103.579  35.994  1.00 52.27           O  
-ATOM   6233  N   ASP D 160      92.111 103.681  38.542  1.00 50.58           N  
-ATOM   6234  CA  ASP D 160      93.525 103.279  38.366  1.00 49.50           C  
-ATOM   6235  C   ASP D 160      93.990 103.173  36.899  1.00 48.33           C  
-ATOM   6236  O   ASP D 160      93.164 103.015  35.983  1.00 48.62           O  
-ATOM   6237  CB  ASP D 160      93.762 101.936  39.082  1.00 49.73           C  
-ATOM   6238  CG  ASP D 160      95.158 101.821  39.709  1.00 50.22           C  
-ATOM   6239  OD1 ASP D 160      96.077 101.287  39.039  1.00 50.34           O  
-ATOM   6240  OD2 ASP D 160      95.420 102.213  40.875  1.00 50.68           O  
-ATOM   6241  N   ASP D 161      95.304 103.250  36.681  1.00 46.49           N  
-ATOM   6242  CA  ASP D 161      95.852 103.274  35.314  1.00 44.88           C  
-ATOM   6243  C   ASP D 161      96.093 101.873  34.731  1.00 43.40           C  
-ATOM   6244  O   ASP D 161      95.422 101.469  33.763  1.00 41.91           O  
-ATOM   6245  CB  ASP D 161      97.115 104.150  35.254  1.00 45.40           C  
-ATOM   6246  CG  ASP D 161      96.787 105.657  35.230  1.00 46.04           C  
-ATOM   6247  OD1 ASP D 161      95.613 106.015  34.951  1.00 46.31           O  
-ATOM   6248  OD2 ASP D 161      97.632 106.551  35.475  1.00 45.55           O  
-ATOM   6249  N   SER D 162      97.025 101.135  35.355  1.00 41.50           N  
-ATOM   6250  CA  SER D 162      97.258  99.714  35.033  1.00 39.24           C  
-ATOM   6251  C   SER D 162      96.427  98.721  35.877  1.00 37.65           C  
-ATOM   6252  O   SER D 162      96.938  97.653  36.251  1.00 37.27           O  
-ATOM   6253  CB  SER D 162      98.753  99.332  35.152  1.00 39.24           C  
-ATOM   6254  OG  SER D 162      99.613 100.434  35.357  1.00 38.53           O  
-ATOM   6255  N   GLU D 163      95.169  99.057  36.181  1.00 35.29           N  
-ATOM   6256  CA  GLU D 163      94.353  98.155  36.990  1.00 33.02           C  
-ATOM   6257  C   GLU D 163      94.147  96.875  36.206  1.00 30.99           C  
-ATOM   6258  O   GLU D 163      94.251  95.782  36.765  1.00 30.95           O  
-ATOM   6259  CB  GLU D 163      93.010  98.770  37.400  1.00 33.38           C  
-ATOM   6260  CG  GLU D 163      92.506  98.285  38.768  1.00 35.02           C  
-ATOM   6261  CD  GLU D 163      91.000  98.476  38.985  1.00 37.88           C  
-ATOM   6262  OE1 GLU D 163      90.328  99.044  38.087  1.00 39.35           O  
-ATOM   6263  OE2 GLU D 163      90.475  98.056  40.051  1.00 37.32           O  
-ATOM   6264  N   TYR D 164      93.909  97.004  34.903  1.00 28.27           N  
-ATOM   6265  CA  TYR D 164      93.772  95.810  34.063  1.00 25.95           C  
-ATOM   6266  C   TYR D 164      94.916  95.581  33.091  1.00 23.59           C  
-ATOM   6267  O   TYR D 164      94.847  94.657  32.305  1.00 22.95           O  
-ATOM   6268  CB  TYR D 164      92.411  95.780  33.348  1.00 25.85           C  
-ATOM   6269  CG  TYR D 164      91.282  96.151  34.271  1.00 27.05           C  
-ATOM   6270  CD1 TYR D 164      91.008  95.396  35.415  1.00 30.78           C  
-ATOM   6271  CD2 TYR D 164      90.535  97.277  34.036  1.00 28.33           C  
-ATOM   6272  CE1 TYR D 164      89.985  95.755  36.274  1.00 32.83           C  
-ATOM   6273  CE2 TYR D 164      89.530  97.646  34.867  1.00 31.73           C  
-ATOM   6274  CZ  TYR D 164      89.247  96.886  35.985  1.00 33.84           C  
-ATOM   6275  OH  TYR D 164      88.218  97.301  36.796  1.00 36.97           O  
-ATOM   6276  N   PHE D 165      95.964  96.401  33.151  1.00 21.78           N  
-ATOM   6277  CA  PHE D 165      97.091  96.257  32.218  1.00 19.99           C  
-ATOM   6278  C   PHE D 165      97.895  95.025  32.533  1.00 19.10           C  
-ATOM   6279  O   PHE D 165      98.202  94.764  33.694  1.00 18.89           O  
-ATOM   6280  CB  PHE D 165      97.994  97.487  32.228  1.00 19.55           C  
-ATOM   6281  CG  PHE D 165      98.956  97.536  31.087  1.00 18.56           C  
-ATOM   6282  CD1 PHE D 165      98.518  97.853  29.810  1.00 17.69           C  
-ATOM   6283  CD2 PHE D 165     100.311  97.286  31.289  1.00 17.32           C  
-ATOM   6284  CE1 PHE D 165      99.421  97.912  28.743  1.00 18.35           C  
-ATOM   6285  CE2 PHE D 165     101.204  97.332  30.237  1.00 17.48           C  
-ATOM   6286  CZ  PHE D 165     100.769  97.650  28.958  1.00 17.28           C  
-ATOM   6287  N   SER D 166      98.227  94.258  31.506  1.00 18.04           N  
-ATOM   6288  CA  SER D 166      98.956  93.003  31.712  1.00 17.58           C  
-ATOM   6289  C   SER D 166     100.337  93.178  32.352  1.00 17.01           C  
-ATOM   6290  O   SER D 166     101.140  93.974  31.897  1.00 16.00           O  
-ATOM   6291  CB  SER D 166      99.098  92.245  30.384  1.00 17.48           C  
-ATOM   6292  OG  SER D 166      99.930  91.097  30.557  1.00 17.02           O  
-ATOM   6293  N   GLN D 167     100.612  92.392  33.386  1.00 17.33           N  
-ATOM   6294  CA  GLN D 167     101.926  92.370  34.034  1.00 17.78           C  
-ATOM   6295  C   GLN D 167     102.993  91.713  33.138  1.00 17.55           C  
-ATOM   6296  O   GLN D 167     104.182  91.761  33.444  1.00 17.27           O  
-ATOM   6297  CB  GLN D 167     101.853  91.654  35.407  1.00 18.26           C  
-ATOM   6298  CG  GLN D 167     101.591  90.157  35.311  1.00 19.72           C  
-ATOM   6299  CD  GLN D 167     101.327  89.489  36.658  1.00 22.58           C  
-ATOM   6300  OE1 GLN D 167     102.258  89.280  37.445  1.00 23.01           O  
-ATOM   6301  NE2 GLN D 167     100.069  89.111  36.907  1.00 22.16           N  
-ATOM   6302  N   TYR D 168     102.561  91.104  32.036  1.00 17.40           N  
-ATOM   6303  CA  TYR D 168     103.442  90.316  31.184  1.00 17.14           C  
-ATOM   6304  C   TYR D 168     103.855  91.069  29.955  1.00 16.83           C  
-ATOM   6305  O   TYR D 168     104.739  90.638  29.227  1.00 17.01           O  
-ATOM   6306  CB  TYR D 168     102.791  88.981  30.822  1.00 17.38           C  
-ATOM   6307  CG  TYR D 168     102.516  88.141  32.053  1.00 17.28           C  
-ATOM   6308  CD1 TYR D 168     103.548  87.809  32.937  1.00 17.15           C  
-ATOM   6309  CD2 TYR D 168     101.217  87.739  32.366  1.00 17.19           C  
-ATOM   6310  CE1 TYR D 168     103.290  87.046  34.103  1.00 18.01           C  
-ATOM   6311  CE2 TYR D 168     100.941  86.990  33.518  1.00 16.67           C  
-ATOM   6312  CZ  TYR D 168     101.991  86.654  34.383  1.00 17.66           C  
-ATOM   6313  OH  TYR D 168     101.755  85.903  35.522  1.00 19.33           O  
-ATOM   6314  N   SER D 169     103.225  92.213  29.741  1.00 16.11           N  
-ATOM   6315  CA  SER D 169     103.660  93.149  28.739  1.00 16.00           C  
-ATOM   6316  C   SER D 169     105.133  93.559  28.895  1.00 16.16           C  
-ATOM   6317  O   SER D 169     105.689  93.557  29.991  1.00 15.71           O  
-ATOM   6318  CB  SER D 169     102.773  94.394  28.778  1.00 16.01           C  
-ATOM   6319  OG  SER D 169     103.099  95.268  27.722  1.00 15.82           O  
-ATOM   6320  N   ARG D 170     105.747  93.902  27.769  1.00 16.54           N  
-ATOM   6321  CA  ARG D 170     107.101  94.424  27.704  1.00 16.64           C  
-ATOM   6322  C   ARG D 170     107.088  95.894  28.122  1.00 16.05           C  
-ATOM   6323  O   ARG D 170     108.147  96.507  28.338  1.00 15.41           O  
-ATOM   6324  CB  ARG D 170     107.566  94.368  26.263  1.00 17.16           C  
-ATOM   6325  CG  ARG D 170     108.466  93.226  25.928  1.00 20.21           C  
-ATOM   6326  CD  ARG D 170     108.963  93.295  24.494  1.00 23.89           C  
-ATOM   6327  NE  ARG D 170     107.835  93.534  23.598  1.00 26.38           N  
-ATOM   6328  CZ  ARG D 170     107.945  93.932  22.332  1.00 27.55           C  
-ATOM   6329  NH1 ARG D 170     109.164  94.136  21.799  1.00 25.47           N  
-ATOM   6330  NH2 ARG D 170     106.830  94.108  21.598  1.00 25.11           N  
-ATOM   6331  N   PHE D 171     105.884  96.457  28.196  1.00 14.91           N  
-ATOM   6332  CA  PHE D 171     105.708  97.870  28.479  1.00 14.96           C  
-ATOM   6333  C   PHE D 171     105.042  98.071  29.824  1.00 15.61           C  
-ATOM   6334  O   PHE D 171     104.435  97.136  30.367  1.00 16.41           O  
-ATOM   6335  CB  PHE D 171     104.912  98.528  27.353  1.00 14.27           C  
-ATOM   6336  CG  PHE D 171     105.568  98.371  25.992  1.00 14.13           C  
-ATOM   6337  CD1 PHE D 171     106.499  99.313  25.540  1.00 12.07           C  
-ATOM   6338  CD2 PHE D 171     105.270  97.269  25.177  1.00 11.55           C  
-ATOM   6339  CE1 PHE D 171     107.117  99.164  24.295  1.00 13.07           C  
-ATOM   6340  CE2 PHE D 171     105.876  97.109  23.933  1.00 12.24           C  
-ATOM   6341  CZ  PHE D 171     106.814  98.049  23.503  1.00 13.36           C  
-ATOM   6342  N   GLU D 172     105.211  99.264  30.387  1.00 16.07           N  
-ATOM   6343  CA  GLU D 172     104.486  99.663  31.585  1.00 17.05           C  
-ATOM   6344  C   GLU D 172     103.828 101.019  31.341  1.00 17.49           C  
-ATOM   6345  O   GLU D 172     104.344 101.845  30.560  1.00 17.56           O  
-ATOM   6346  CB  GLU D 172     105.386  99.715  32.805  1.00 17.11           C  
-ATOM   6347  CG  GLU D 172     106.566 100.667  32.692  1.00 19.07           C  
-ATOM   6348  CD  GLU D 172     107.470 100.625  33.913  1.00 22.67           C  
-ATOM   6349  OE1 GLU D 172     107.026 100.114  34.971  1.00 25.14           O  
-ATOM   6350  OE2 GLU D 172     108.641 101.087  33.818  1.00 23.01           O  
-ATOM   6351  N   ILE D 173     102.690 101.237  31.988  1.00 17.46           N  
-ATOM   6352  CA  ILE D 173     101.989 102.498  31.855  1.00 18.20           C  
-ATOM   6353  C   ILE D 173     102.378 103.436  32.983  1.00 18.58           C  
-ATOM   6354  O   ILE D 173     102.348 103.074  34.156  1.00 18.43           O  
-ATOM   6355  CB  ILE D 173     100.464 102.261  31.817  1.00 18.39           C  
-ATOM   6356  CG1 ILE D 173     100.087 101.536  30.524  1.00 18.79           C  
-ATOM   6357  CG2 ILE D 173      99.711 103.572  31.948  1.00 18.45           C  
-ATOM   6358  CD1 ILE D 173      98.618 101.143  30.426  1.00 20.59           C  
-ATOM   6359  N   LEU D 174     102.773 104.644  32.615  1.00 18.98           N  
-ATOM   6360  CA  LEU D 174     103.145 105.646  33.607  1.00 19.51           C  
-ATOM   6361  C   LEU D 174     101.934 106.496  34.008  1.00 19.97           C  
-ATOM   6362  O   LEU D 174     101.760 106.821  35.184  1.00 19.79           O  
-ATOM   6363  CB  LEU D 174     104.280 106.520  33.077  1.00 19.18           C  
-ATOM   6364  CG  LEU D 174     105.535 105.734  32.659  1.00 19.52           C  
-ATOM   6365  CD1 LEU D 174     106.516 106.648  31.962  1.00 19.48           C  
-ATOM   6366  CD2 LEU D 174     106.203 105.017  33.865  1.00 18.78           C  
-ATOM   6367  N   ASP D 175     101.090 106.813  33.019  1.00 20.19           N  
-ATOM   6368  CA  ASP D 175      99.960 107.712  33.203  1.00 21.08           C  
-ATOM   6369  C   ASP D 175      98.974 107.674  32.041  1.00 21.02           C  
-ATOM   6370  O   ASP D 175      99.361 107.486  30.881  1.00 20.62           O  
-ATOM   6371  CB  ASP D 175     100.457 109.154  33.388  1.00 21.74           C  
-ATOM   6372  CG  ASP D 175      99.590 109.965  34.357  1.00 24.18           C  
-ATOM   6373  OD1 ASP D 175      98.481 109.530  34.740  1.00 26.15           O  
-ATOM   6374  OD2 ASP D 175      99.946 111.085  34.781  1.00 27.76           O  
-ATOM   6375  N   VAL D 176      97.694 107.830  32.367  1.00 21.35           N  
-ATOM   6376  CA  VAL D 176      96.640 107.992  31.363  1.00 21.93           C  
-ATOM   6377  C   VAL D 176      95.853 109.247  31.723  1.00 22.87           C  
-ATOM   6378  O   VAL D 176      95.344 109.373  32.846  1.00 23.13           O  
-ATOM   6379  CB  VAL D 176      95.687 106.767  31.305  1.00 21.89           C  
-ATOM   6380  CG1 VAL D 176      94.660 106.929  30.184  1.00 21.14           C  
-ATOM   6381  CG2 VAL D 176      96.465 105.475  31.123  1.00 20.99           C  
-ATOM   6382  N   THR D 177      95.829 110.215  30.815  1.00 23.44           N  
-ATOM   6383  CA  THR D 177      94.992 111.401  30.988  1.00 24.03           C  
-ATOM   6384  C   THR D 177      93.993 111.539  29.826  1.00 24.09           C  
-ATOM   6385  O   THR D 177      94.246 111.100  28.700  1.00 23.64           O  
-ATOM   6386  CB  THR D 177      95.827 112.693  31.163  1.00 24.30           C  
-ATOM   6387  OG1 THR D 177      96.780 112.789  30.108  1.00 25.58           O  
-ATOM   6388  CG2 THR D 177      96.694 112.654  32.431  1.00 24.64           C  
-ATOM   6389  N   GLN D 178      92.824 112.082  30.108  1.00 24.63           N  
-ATOM   6390  CA  GLN D 178      91.807 112.215  29.074  1.00 25.57           C  
-ATOM   6391  C   GLN D 178      91.556 113.716  28.892  1.00 26.02           C  
-ATOM   6392  O   GLN D 178      91.473 114.455  29.886  1.00 25.41           O  
-ATOM   6393  CB  GLN D 178      90.535 111.410  29.445  1.00 26.44           C  
-ATOM   6394  CG  GLN D 178      90.780 109.967  30.041  1.00 29.11           C  
-ATOM   6395  CD  GLN D 178      89.879 108.813  29.466  1.00 37.00           C  
-ATOM   6396  OE1 GLN D 178      88.656 108.998  29.226  1.00 37.86           O  
-ATOM   6397  NE2 GLN D 178      90.493 107.611  29.262  1.00 34.32           N  
-ATOM   6398  N   LYS D 179      91.535 114.196  27.650  1.00 25.72           N  
-ATOM   6399  CA  LYS D 179      91.188 115.609  27.386  1.00 25.41           C  
-ATOM   6400  C   LYS D 179      90.011 115.691  26.410  1.00 25.45           C  
-ATOM   6401  O   LYS D 179      89.913 114.875  25.492  1.00 24.81           O  
-ATOM   6402  CB  LYS D 179      92.371 116.372  26.801  1.00 25.74           C  
-ATOM   6403  CG  LYS D 179      92.372 117.908  27.151  1.00 29.59           C  
-ATOM   6404  CD  LYS D 179      93.537 118.681  26.497  1.00 31.30           C  
-ATOM   6405  CE  LYS D 179      93.468 118.623  24.969  1.00 31.98           C  
-ATOM   6406  NZ  LYS D 179      93.605 119.968  24.354  1.00 32.26           N  
-ATOM   6407  N   LYS D 180      89.106 116.654  26.577  1.00 24.66           N  
-ATOM   6408  CA  LYS D 180      88.026 116.738  25.596  1.00 23.77           C  
-ATOM   6409  C   LYS D 180      87.922 117.996  24.749  1.00 23.20           C  
-ATOM   6410  O   LYS D 180      88.064 119.121  25.234  1.00 22.59           O  
-ATOM   6411  CB  LYS D 180      86.686 116.270  26.167  1.00 24.92           C  
-ATOM   6412  CG  LYS D 180      85.966 117.244  27.062  1.00 25.62           C  
-ATOM   6413  CD  LYS D 180      84.485 117.212  26.719  1.00 28.20           C  
-ATOM   6414  CE  LYS D 180      84.285 117.216  25.212  1.00 26.60           C  
-ATOM   6415  NZ  LYS D 180      82.871 116.914  24.947  1.00 28.44           N  
-ATOM   6416  N   ASN D 181      87.688 117.776  23.463  1.00 22.18           N  
-ATOM   6417  CA  ASN D 181      87.803 118.813  22.462  1.00 21.78           C  
-ATOM   6418  C   ASN D 181      86.545 118.947  21.644  1.00 21.14           C  
-ATOM   6419  O   ASN D 181      85.695 118.064  21.666  1.00 21.51           O  
-ATOM   6420  CB  ASN D 181      88.975 118.511  21.539  1.00 22.03           C  
-ATOM   6421  CG  ASN D 181      90.232 118.299  22.291  1.00 22.40           C  
-ATOM   6422  OD1 ASN D 181      90.792 119.246  22.811  1.00 23.52           O  
-ATOM   6423  ND2 ASN D 181      90.668 117.034  22.412  1.00 23.80           N  
-ATOM   6424  N   SER D 182      86.469 120.055  20.916  1.00 20.36           N  
-ATOM   6425  CA  SER D 182      85.323 120.463  20.134  1.00 20.44           C  
-ATOM   6426  C   SER D 182      85.947 121.070  18.855  1.00 20.94           C  
-ATOM   6427  O   SER D 182      86.555 122.158  18.900  1.00 21.73           O  
-ATOM   6428  CB  SER D 182      84.532 121.496  20.958  1.00 20.11           C  
-ATOM   6429  OG  SER D 182      83.142 121.523  20.678  1.00 19.45           O  
-ATOM   6430  N   VAL D 183      85.854 120.344  17.734  1.00 20.99           N  
-ATOM   6431  CA  VAL D 183      86.549 120.724  16.491  1.00 20.50           C  
-ATOM   6432  C   VAL D 183      85.578 120.927  15.324  1.00 20.53           C  
-ATOM   6433  O   VAL D 183      84.561 120.225  15.222  1.00 19.87           O  
-ATOM   6434  CB  VAL D 183      87.631 119.670  16.066  1.00 20.53           C  
-ATOM   6435  CG1 VAL D 183      88.564 120.225  15.000  1.00 20.75           C  
-ATOM   6436  CG2 VAL D 183      88.457 119.183  17.249  1.00 20.58           C  
-ATOM   6437  N   THR D 184      85.889 121.905  14.467  1.00 20.33           N  
-ATOM   6438  CA  THR D 184      85.162 122.127  13.221  1.00 20.86           C  
-ATOM   6439  C   THR D 184      86.038 121.667  12.064  1.00 20.56           C  
-ATOM   6440  O   THR D 184      87.104 122.241  11.820  1.00 21.17           O  
-ATOM   6441  CB  THR D 184      84.768 123.608  13.074  1.00 21.57           C  
-ATOM   6442  OG1 THR D 184      83.712 123.899  14.000  1.00 24.23           O  
-ATOM   6443  CG2 THR D 184      84.128 123.897  11.700  1.00 21.53           C  
-ATOM   6444  N   TYR D 185      85.595 120.622  11.368  1.00 19.40           N  
-ATOM   6445  CA  TYR D 185      86.328 120.081  10.222  1.00 19.31           C  
-ATOM   6446  C   TYR D 185      85.955 120.775   8.893  1.00 20.22           C  
-ATOM   6447  O   TYR D 185      84.818 121.232   8.739  1.00 20.09           O  
-ATOM   6448  CB  TYR D 185      86.124 118.566  10.136  1.00 18.08           C  
-ATOM   6449  CG  TYR D 185      86.581 117.848  11.392  1.00 14.82           C  
-ATOM   6450  CD1 TYR D 185      85.700 117.616  12.438  1.00 11.78           C  
-ATOM   6451  CD2 TYR D 185      87.892 117.443  11.538  1.00 13.48           C  
-ATOM   6452  CE1 TYR D 185      86.104 116.962  13.581  1.00 15.56           C  
-ATOM   6453  CE2 TYR D 185      88.319 116.791  12.673  1.00 14.02           C  
-ATOM   6454  CZ  TYR D 185      87.412 116.536  13.698  1.00 15.17           C  
-ATOM   6455  OH  TYR D 185      87.820 115.920  14.868  1.00 11.90           O  
-ATOM   6456  N   SER D 186      86.895 120.829   7.944  1.00 20.78           N  
-ATOM   6457  CA  SER D 186      86.687 121.546   6.679  1.00 22.78           C  
-ATOM   6458  C   SER D 186      85.456 121.104   5.869  1.00 23.66           C  
-ATOM   6459  O   SER D 186      84.909 121.876   5.071  1.00 23.73           O  
-ATOM   6460  CB  SER D 186      87.932 121.468   5.800  1.00 22.88           C  
-ATOM   6461  OG  SER D 186      88.431 122.786   5.561  1.00 24.29           O  
-ATOM   6462  N   CYS D 187      85.032 119.867   6.101  1.00 23.51           N  
-ATOM   6463  CA  CYS D 187      83.940 119.247   5.384  1.00 25.04           C  
-ATOM   6464  C   CYS D 187      82.568 119.843   5.707  1.00 25.46           C  
-ATOM   6465  O   CYS D 187      81.663 119.810   4.869  1.00 25.65           O  
-ATOM   6466  CB  CYS D 187      83.898 117.760   5.772  1.00 25.31           C  
-ATOM   6467  SG  CYS D 187      83.261 117.502   7.440  1.00 27.08           S  
-ATOM   6468  N   CYS D 188      82.411 120.351   6.935  1.00 25.73           N  
-ATOM   6469  CA  CYS D 188      81.092 120.542   7.542  1.00 25.59           C  
-ATOM   6470  C   CYS D 188      81.118 121.731   8.504  1.00 24.63           C  
-ATOM   6471  O   CYS D 188      82.148 122.000   9.100  1.00 24.83           O  
-ATOM   6472  CB  CYS D 188      80.665 119.256   8.278  1.00 25.61           C  
-ATOM   6473  SG  CYS D 188      81.188 117.641   7.555  1.00 29.11           S  
-ATOM   6474  N   PRO D 189      80.004 122.432   8.682  1.00 23.96           N  
-ATOM   6475  CA  PRO D 189      80.013 123.697   9.446  1.00 23.42           C  
-ATOM   6476  C   PRO D 189      79.846 123.557  10.970  1.00 22.57           C  
-ATOM   6477  O   PRO D 189      80.189 124.488  11.690  1.00 23.29           O  
-ATOM   6478  CB  PRO D 189      78.835 124.475   8.850  1.00 23.15           C  
-ATOM   6479  CG  PRO D 189      77.880 123.389   8.287  1.00 24.66           C  
-ATOM   6480  CD  PRO D 189      78.657 122.090   8.190  1.00 24.18           C  
-ATOM   6481  N   GLU D 190      79.332 122.424  11.441  1.00 21.43           N  
-ATOM   6482  CA  GLU D 190      79.143 122.187  12.867  1.00 20.28           C  
-ATOM   6483  C   GLU D 190      80.394 121.593  13.518  1.00 18.89           C  
-ATOM   6484  O   GLU D 190      81.269 121.047  12.840  1.00 19.19           O  
-ATOM   6485  CB  GLU D 190      77.954 121.261  13.122  1.00 19.98           C  
-ATOM   6486  CG  GLU D 190      76.664 121.623  12.410  1.00 23.57           C  
-ATOM   6487  CD  GLU D 190      75.789 122.577  13.216  1.00 27.07           C  
-ATOM   6488  OE1 GLU D 190      75.212 122.134  14.239  1.00 26.94           O  
-ATOM   6489  OE2 GLU D 190      75.681 123.780  12.832  1.00 29.35           O  
-ATOM   6490  N   ALA D 191      80.459 121.713  14.839  1.00 17.45           N  
-ATOM   6491  CA  ALA D 191      81.562 121.215  15.660  1.00 16.52           C  
-ATOM   6492  C   ALA D 191      81.270 119.790  16.088  1.00 15.92           C  
-ATOM   6493  O   ALA D 191      80.134 119.466  16.391  1.00 14.90           O  
-ATOM   6494  CB  ALA D 191      81.729 122.116  16.902  1.00 16.63           C  
-ATOM   6495  N   TYR D 192      82.311 118.958  16.120  1.00 15.86           N  
-ATOM   6496  CA  TYR D 192      82.231 117.569  16.554  1.00 16.25           C  
-ATOM   6497  C   TYR D 192      83.082 117.423  17.786  1.00 16.87           C  
-ATOM   6498  O   TYR D 192      84.207 117.897  17.824  1.00 17.24           O  
-ATOM   6499  CB  TYR D 192      82.741 116.617  15.449  1.00 15.67           C  
-ATOM   6500  CG  TYR D 192      81.861 116.654  14.232  1.00 15.78           C  
-ATOM   6501  CD1 TYR D 192      81.979 117.668  13.279  1.00 15.91           C  
-ATOM   6502  CD2 TYR D 192      80.873 115.724  14.075  1.00 15.34           C  
-ATOM   6503  CE1 TYR D 192      81.126 117.704  12.169  1.00 16.76           C  
-ATOM   6504  CE2 TYR D 192      80.015 115.738  12.963  1.00 16.21           C  
-ATOM   6505  CZ  TYR D 192      80.144 116.730  12.029  1.00 16.52           C  
-ATOM   6506  OH  TYR D 192      79.266 116.733  10.969  1.00 18.05           O  
-ATOM   6507  N   GLU D 193      82.545 116.775  18.802  1.00 17.26           N  
-ATOM   6508  CA  GLU D 193      83.299 116.553  20.019  1.00 17.99           C  
-ATOM   6509  C   GLU D 193      84.131 115.279  19.955  1.00 18.54           C  
-ATOM   6510  O   GLU D 193      83.742 114.307  19.327  1.00 18.18           O  
-ATOM   6511  CB  GLU D 193      82.353 116.507  21.214  1.00 18.07           C  
-ATOM   6512  CG  GLU D 193      81.676 117.843  21.467  1.00 18.15           C  
-ATOM   6513  CD  GLU D 193      80.900 117.864  22.763  1.00 19.98           C  
-ATOM   6514  OE1 GLU D 193      81.052 116.895  23.545  1.00 20.16           O  
-ATOM   6515  OE2 GLU D 193      80.159 118.857  23.015  1.00 21.57           O  
-ATOM   6516  N   ASP D 194      85.288 115.319  20.598  1.00 19.28           N  
-ATOM   6517  CA  ASP D 194      86.124 114.151  20.762  1.00 20.29           C  
-ATOM   6518  C   ASP D 194      86.731 114.115  22.168  1.00 20.06           C  
-ATOM   6519  O   ASP D 194      86.823 115.156  22.867  1.00 19.08           O  
-ATOM   6520  CB  ASP D 194      87.221 114.111  19.701  1.00 20.73           C  
-ATOM   6521  CG  ASP D 194      88.261 115.219  19.887  1.00 24.82           C  
-ATOM   6522  OD1 ASP D 194      89.050 115.147  20.866  1.00 27.87           O  
-ATOM   6523  OD2 ASP D 194      88.377 116.190  19.088  1.00 29.08           O  
-ATOM   6524  N   VAL D 195      87.088 112.904  22.590  1.00 19.43           N  
-ATOM   6525  CA  VAL D 195      87.982 112.742  23.737  1.00 19.79           C  
-ATOM   6526  C   VAL D 195      89.389 112.336  23.261  1.00 19.35           C  
-ATOM   6527  O   VAL D 195      89.546 111.448  22.400  1.00 18.78           O  
-ATOM   6528  CB  VAL D 195      87.440 111.712  24.738  1.00 20.01           C  
-ATOM   6529  CG1 VAL D 195      88.449 111.503  25.880  1.00 21.02           C  
-ATOM   6530  CG2 VAL D 195      86.129 112.201  25.298  1.00 20.49           C  
-ATOM   6531  N   GLU D 196      90.401 113.029  23.771  1.00 18.85           N  
-ATOM   6532  CA  GLU D 196      91.790 112.673  23.507  1.00 19.25           C  
-ATOM   6533  C   GLU D 196      92.340 111.948  24.724  1.00 18.55           C  
-ATOM   6534  O   GLU D 196      92.347 112.500  25.825  1.00 18.73           O  
-ATOM   6535  CB  GLU D 196      92.648 113.889  23.148  1.00 19.18           C  
-ATOM   6536  CG  GLU D 196      92.663 114.211  21.660  1.00 23.26           C  
-ATOM   6537  CD  GLU D 196      93.240 115.600  21.303  1.00 27.74           C  
-ATOM   6538  OE1 GLU D 196      93.783 116.289  22.189  1.00 28.49           O  
-ATOM   6539  OE2 GLU D 196      93.144 116.009  20.118  1.00 28.24           O  
-ATOM   6540  N   VAL D 197      92.755 110.703  24.514  1.00 18.05           N  
-ATOM   6541  CA  VAL D 197      93.291 109.864  25.576  1.00 17.71           C  
-ATOM   6542  C   VAL D 197      94.822 109.772  25.406  1.00 17.53           C  
-ATOM   6543  O   VAL D 197      95.328 109.235  24.417  1.00 17.03           O  
-ATOM   6544  CB  VAL D 197      92.643 108.471  25.573  1.00 18.11           C  
-ATOM   6545  CG1 VAL D 197      93.224 107.592  26.673  1.00 17.35           C  
-ATOM   6546  CG2 VAL D 197      91.105 108.597  25.710  1.00 18.17           C  
-ATOM   6547  N   SER D 198      95.546 110.354  26.357  1.00 17.25           N  
-ATOM   6548  CA  SER D 198      97.003 110.367  26.300  1.00 17.56           C  
-ATOM   6549  C   SER D 198      97.551 109.218  27.134  1.00 17.40           C  
-ATOM   6550  O   SER D 198      97.408 109.200  28.374  1.00 17.15           O  
-ATOM   6551  CB  SER D 198      97.571 111.712  26.789  1.00 17.69           C  
-ATOM   6552  OG  SER D 198      97.211 112.767  25.898  1.00 19.70           O  
-ATOM   6553  N   LEU D 199      98.166 108.263  26.444  1.00 16.90           N  
-ATOM   6554  CA  LEU D 199      98.783 107.128  27.101  1.00 16.88           C  
-ATOM   6555  C   LEU D 199     100.274 107.364  27.233  1.00 16.41           C  
-ATOM   6556  O   LEU D 199     100.990 107.373  26.246  1.00 16.23           O  
-ATOM   6557  CB  LEU D 199      98.486 105.851  26.298  1.00 17.01           C  
-ATOM   6558  CG  LEU D 199      99.246 104.571  26.615  1.00 18.14           C  
-ATOM   6559  CD1 LEU D 199      98.842 104.030  27.972  1.00 18.59           C  
-ATOM   6560  CD2 LEU D 199      98.911 103.591  25.510  1.00 19.03           C  
-ATOM   6561  N   ASN D 200     100.726 107.549  28.468  1.00 16.12           N  
-ATOM   6562  CA  ASN D 200     102.137 107.734  28.773  1.00 15.93           C  
-ATOM   6563  C   ASN D 200     102.703 106.365  29.176  1.00 15.31           C  
-ATOM   6564  O   ASN D 200     102.331 105.783  30.215  1.00 14.90           O  
-ATOM   6565  CB  ASN D 200     102.322 108.819  29.867  1.00 15.77           C  
-ATOM   6566  CG  ASN D 200     103.772 109.156  30.146  1.00 17.16           C  
-ATOM   6567  OD1 ASN D 200     104.108 109.600  31.253  1.00 17.82           O  
-ATOM   6568  ND2 ASN D 200     104.637 108.973  29.156  1.00 18.30           N  
-ATOM   6569  N   PHE D 201     103.611 105.850  28.356  1.00 14.41           N  
-ATOM   6570  CA  PHE D 201     104.113 104.506  28.601  1.00 14.25           C  
-ATOM   6571  C   PHE D 201     105.585 104.365  28.233  1.00 13.18           C  
-ATOM   6572  O   PHE D 201     106.125 105.209  27.542  1.00 12.98           O  
-ATOM   6573  CB  PHE D 201     103.241 103.494  27.827  1.00 14.23           C  
-ATOM   6574  CG  PHE D 201     103.508 103.477  26.348  1.00 15.29           C  
-ATOM   6575  CD1 PHE D 201     103.005 104.479  25.538  1.00 15.71           C  
-ATOM   6576  CD2 PHE D 201     104.248 102.456  25.766  1.00 16.04           C  
-ATOM   6577  CE1 PHE D 201     103.238 104.489  24.171  1.00 16.32           C  
-ATOM   6578  CE2 PHE D 201     104.489 102.451  24.400  1.00 16.41           C  
-ATOM   6579  CZ  PHE D 201     103.987 103.475  23.592  1.00 16.16           C  
-ATOM   6580  N   ARG D 202     106.222 103.290  28.677  1.00 10.76           N  
-ATOM   6581  CA  ARG D 202     107.585 103.035  28.248  1.00  9.93           C  
-ATOM   6582  C   ARG D 202     107.935 101.549  28.218  1.00  9.12           C  
-ATOM   6583  O   ARG D 202     107.220 100.715  28.776  1.00  7.43           O  
-ATOM   6584  CB  ARG D 202     108.572 103.848  29.085  1.00  9.07           C  
-ATOM   6585  CG  ARG D 202     108.937 103.239  30.441  1.00 11.95           C  
-ATOM   6586  CD  ARG D 202     110.345 103.659  30.897  1.00 17.48           C  
-ATOM   6587  NE  ARG D 202     110.956 102.718  31.826  1.00 23.28           N  
-ATOM   6588  CZ  ARG D 202     110.657 102.674  33.110  1.00 27.76           C  
-ATOM   6589  NH1 ARG D 202     109.765 103.531  33.622  1.00 29.36           N  
-ATOM   6590  NH2 ARG D 202     111.243 101.776  33.889  1.00 30.72           N  
-ATOM   6591  N   LYS D 203     109.052 101.227  27.566  1.00  9.92           N  
-ATOM   6592  CA  LYS D 203     109.517  99.851  27.495  1.00 10.17           C  
-ATOM   6593  C   LYS D 203     110.265  99.479  28.755  1.00  9.17           C  
-ATOM   6594  O   LYS D 203     111.147 100.197  29.202  1.00  9.32           O  
-ATOM   6595  CB  LYS D 203     110.351  99.589  26.244  1.00 11.29           C  
-ATOM   6596  CG  LYS D 203     110.334  98.091  25.803  1.00 13.09           C  
-ATOM   6597  CD  LYS D 203     111.531  97.740  24.873  1.00 17.57           C  
-ATOM   6598  CE  LYS D 203     111.103  97.735  23.359  1.00 21.56           C  
-ATOM   6599  NZ  LYS D 203     111.418  99.026  22.580  1.00 18.97           N  
-ATOM   6600  N   LYS D 204     109.867  98.379  29.364  1.00  8.76           N  
-ATOM   6601  CA  LYS D 204     110.573  97.916  30.544  1.00  9.65           C  
-ATOM   6602  C   LYS D 204     111.922  97.384  30.080  1.00  9.50           C  
-ATOM   6603  O   LYS D 204     112.005  96.838  28.992  1.00  8.86           O  
-ATOM   6604  CB  LYS D 204     109.767  96.832  31.282  1.00  9.80           C  
-ATOM   6605  CG  LYS D 204     108.538  97.375  32.006  1.00 11.08           C  
-ATOM   6606  CD  LYS D 204     107.330  96.417  31.954  1.00 16.57           C  
-ATOM   6607  CE  LYS D 204     107.561  95.081  32.667  1.00 17.95           C  
-ATOM   6608  NZ  LYS D 204     106.301  94.254  32.628  1.00 18.28           N  
-ATOM   6609  N   GLY D 205     112.970  97.592  30.884  1.00 10.51           N  
-ATOM   6610  CA  GLY D 205     114.276  96.965  30.682  1.00 11.45           C  
-ATOM   6611  C   GLY D 205     114.295  95.573  31.295  1.00 11.99           C  
-ATOM   6612  O   GLY D 205     113.517  95.304  32.206  1.00 11.60           O  
-ATOM   6613  N   ARG D 206     115.186  94.696  30.824  1.00 12.98           N  
-ATOM   6614  CA  ARG D 206     115.159  93.280  31.239  1.00 13.34           C  
-ATOM   6615  C   ARG D 206     115.173  93.055  32.764  1.00 13.39           C  
-ATOM   6616  O   ARG D 206     114.384  92.258  33.278  1.00 13.83           O  
-ATOM   6617  CB  ARG D 206     116.233  92.441  30.519  1.00 13.53           C  
-ATOM   6618  CG  ARG D 206     117.686  92.819  30.787  1.00 13.09           C  
-ATOM   6619  CD  ARG D 206     118.674  92.155  29.848  1.00 11.86           C  
-ATOM   6620  NE  ARG D 206     119.214  90.920  30.434  1.00 15.22           N  
-ATOM   6621  CZ  ARG D 206     118.632  89.719  30.377  1.00 13.41           C  
-ATOM   6622  NH1 ARG D 206     117.470  89.540  29.756  1.00 13.11           N  
-ATOM   6623  NH2 ARG D 206     119.222  88.691  30.952  1.00 14.14           N  
-ATOM   6624  N   SER D 207     116.041  93.774  33.474  1.00 13.07           N  
-ATOM   6625  CA  SER D 207     115.987  93.830  34.938  1.00 13.08           C  
-ATOM   6626  C   SER D 207     114.648  94.401  35.434  1.00 13.50           C  
-ATOM   6627  O   SER D 207     113.791  94.477  35.077  1.00 20.00           O  
-ATOM   6628  CB  SER D 207     117.125  94.679  35.481  1.00 12.89           C  
-ATOM   6629  OG  SER D 207     117.032  96.021  35.044  1.00 12.46           O  
-TER    6630      SER D 207                                                      
-ATOM   6631  N   GLU E   0      55.418 118.013  10.737  1.00 24.64           N  
-ATOM   6632  CA  GLU E   0      56.438 117.628  11.793  1.00 25.50           C  
-ATOM   6633  C   GLU E   0      56.784 116.129  11.853  1.00 24.93           C  
-ATOM   6634  O   GLU E   0      55.944 115.275  12.157  1.00 25.16           O  
-ATOM   6635  CB  GLU E   0      56.075 118.168  13.199  1.00 25.77           C  
-ATOM   6636  CG  GLU E   0      56.686 117.396  14.372  1.00 28.36           C  
-ATOM   6637  CD  GLU E   0      57.523 118.248  15.329  1.00 32.24           C  
-ATOM   6638  OE1 GLU E   0      56.941 119.054  16.098  1.00 33.30           O  
-ATOM   6639  OE2 GLU E   0      58.771 118.090  15.346  1.00 33.17           O  
-ATOM   6640  N   PHE E   1      58.047 115.841  11.571  1.00 23.15           N  
-ATOM   6641  CA  PHE E   1      58.609 114.512  11.727  1.00 22.71           C  
-ATOM   6642  C   PHE E   1      59.722 114.562  12.747  1.00 21.90           C  
-ATOM   6643  O   PHE E   1      60.491 115.521  12.775  1.00 22.21           O  
-ATOM   6644  CB  PHE E   1      59.250 114.034  10.416  1.00 22.61           C  
-ATOM   6645  CG  PHE E   1      58.386 114.211   9.212  1.00 24.50           C  
-ATOM   6646  CD1 PHE E   1      57.290 113.378   9.003  1.00 26.23           C  
-ATOM   6647  CD2 PHE E   1      58.661 115.207   8.279  1.00 25.74           C  
-ATOM   6648  CE1 PHE E   1      56.478 113.538   7.870  1.00 27.99           C  
-ATOM   6649  CE2 PHE E   1      57.851 115.378   7.151  1.00 26.77           C  
-ATOM   6650  CZ  PHE E   1      56.763 114.542   6.945  1.00 28.09           C  
-ATOM   6651  N   ASP E   2      59.841 113.518  13.555  1.00 20.96           N  
-ATOM   6652  CA  ASP E   2      61.053 113.349  14.356  1.00 20.18           C  
-ATOM   6653  C   ASP E   2      62.065 112.431  13.633  1.00 19.50           C  
-ATOM   6654  O   ASP E   2      61.783 111.886  12.557  1.00 18.36           O  
-ATOM   6655  CB  ASP E   2      60.733 112.882  15.788  1.00 20.72           C  
-ATOM   6656  CG  ASP E   2      60.101 111.513  15.845  1.00 21.78           C  
-ATOM   6657  OD1 ASP E   2      60.148 110.759  14.868  1.00 22.87           O  
-ATOM   6658  OD2 ASP E   2      59.516 111.087  16.846  1.00 24.16           O  
-ATOM   6659  N   ARG E   3      63.253 112.287  14.220  1.00 18.68           N  
-ATOM   6660  CA  ARG E   3      64.314 111.524  13.598  1.00 17.86           C  
-ATOM   6661  C   ARG E   3      63.865 110.111  13.291  1.00 17.21           C  
-ATOM   6662  O   ARG E   3      64.170 109.577  12.226  1.00 16.94           O  
-ATOM   6663  CB  ARG E   3      65.551 111.483  14.492  1.00 18.07           C  
-ATOM   6664  CG  ARG E   3      66.509 112.616  14.237  1.00 18.68           C  
-ATOM   6665  CD  ARG E   3      67.428 112.916  15.401  1.00 19.24           C  
-ATOM   6666  NE  ARG E   3      68.239 114.086  15.111  1.00 22.07           N  
-ATOM   6667  CZ  ARG E   3      68.061 115.304  15.635  1.00 25.86           C  
-ATOM   6668  NH1 ARG E   3      67.080 115.557  16.514  1.00 27.28           N  
-ATOM   6669  NH2 ARG E   3      68.880 116.292  15.272  1.00 26.25           N  
-ATOM   6670  N   ALA E   4      63.103 109.530  14.218  1.00 16.36           N  
-ATOM   6671  CA  ALA E   4      62.575 108.187  14.063  1.00 15.75           C  
-ATOM   6672  C   ALA E   4      61.713 108.073  12.809  1.00 15.64           C  
-ATOM   6673  O   ALA E   4      61.868 107.113  12.071  1.00 15.09           O  
-ATOM   6674  CB  ALA E   4      61.787 107.775  15.306  1.00 15.49           C  
-ATOM   6675  N   ASP E   5      60.835 109.051  12.577  1.00 15.68           N  
-ATOM   6676  CA  ASP E   5      59.953 109.075  11.399  1.00 16.37           C  
-ATOM   6677  C   ASP E   5      60.763 109.228  10.125  1.00 15.93           C  
-ATOM   6678  O   ASP E   5      60.551 108.484   9.143  1.00 15.88           O  
-ATOM   6679  CB  ASP E   5      58.938 110.225  11.463  1.00 17.13           C  
-ATOM   6680  CG  ASP E   5      58.001 110.123  12.639  1.00 20.95           C  
-ATOM   6681  OD1 ASP E   5      57.727 108.977  13.096  1.00 24.25           O  
-ATOM   6682  OD2 ASP E   5      57.479 111.146  13.166  1.00 25.36           O  
-ATOM   6683  N   ILE E   6      61.685 110.186  10.119  1.00 15.30           N  
-ATOM   6684  CA  ILE E   6      62.524 110.408   8.935  1.00 14.79           C  
-ATOM   6685  C   ILE E   6      63.248 109.093   8.582  1.00 14.73           C  
-ATOM   6686  O   ILE E   6      63.254 108.665   7.427  1.00 13.70           O  
-ATOM   6687  CB  ILE E   6      63.535 111.586   9.181  1.00 14.43           C  
-ATOM   6688  CG1 ILE E   6      62.795 112.918   9.431  1.00 14.29           C  
-ATOM   6689  CG2 ILE E   6      64.538 111.727   8.045  1.00 13.93           C  
-ATOM   6690  CD1 ILE E   6      63.641 113.947  10.186  1.00 12.54           C  
-ATOM   6691  N   LEU E   7      63.843 108.451   9.589  1.00 14.86           N  
-ATOM   6692  CA  LEU E   7      64.654 107.257   9.330  1.00 15.60           C  
-ATOM   6693  C   LEU E   7      63.800 106.059   8.929  1.00 15.52           C  
-ATOM   6694  O   LEU E   7      64.174 105.296   8.056  1.00 15.08           O  
-ATOM   6695  CB  LEU E   7      65.570 106.940  10.511  1.00 16.17           C  
-ATOM   6696  CG  LEU E   7      66.738 107.947  10.629  1.00 17.45           C  
-ATOM   6697  CD1 LEU E   7      67.202 108.058  12.042  1.00 19.02           C  
-ATOM   6698  CD2 LEU E   7      67.860 107.520   9.745  1.00 19.29           C  
-ATOM   6699  N   TYR E   8      62.627 105.945   9.529  1.00 15.96           N  
-ATOM   6700  CA  TYR E   8      61.627 104.975   9.124  1.00 17.00           C  
-ATOM   6701  C   TYR E   8      61.223 105.164   7.673  1.00 16.35           C  
-ATOM   6702  O   TYR E   8      61.227 104.217   6.899  1.00 15.77           O  
-ATOM   6703  CB  TYR E   8      60.390 105.069  10.045  1.00 17.53           C  
-ATOM   6704  CG  TYR E   8      59.271 104.103   9.701  1.00 20.97           C  
-ATOM   6705  CD1 TYR E   8      59.414 102.724   9.910  1.00 24.33           C  
-ATOM   6706  CD2 TYR E   8      58.076 104.565   9.154  1.00 23.28           C  
-ATOM   6707  CE1 TYR E   8      58.383 101.840   9.609  1.00 25.96           C  
-ATOM   6708  CE2 TYR E   8      57.023 103.683   8.834  1.00 25.45           C  
-ATOM   6709  CZ  TYR E   8      57.186 102.318   9.067  1.00 26.97           C  
-ATOM   6710  OH  TYR E   8      56.145 101.421   8.757  1.00 28.52           O  
-ATOM   6711  N   ASN E   9      60.870 106.391   7.312  1.00 16.53           N  
-ATOM   6712  CA  ASN E   9      60.438 106.666   5.937  1.00 16.64           C  
-ATOM   6713  C   ASN E   9      61.527 106.358   4.887  1.00 16.32           C  
-ATOM   6714  O   ASN E   9      61.236 105.758   3.835  1.00 15.84           O  
-ATOM   6715  CB  ASN E   9      59.917 108.086   5.808  1.00 16.69           C  
-ATOM   6716  CG  ASN E   9      58.610 108.282   6.522  1.00 18.38           C  
-ATOM   6717  OD1 ASN E   9      57.921 107.316   6.888  1.00 19.58           O  
-ATOM   6718  ND2 ASN E   9      58.262 109.532   6.748  1.00 17.79           N  
-ATOM   6719  N   ILE E  10      62.768 106.741   5.193  1.00 16.33           N  
-ATOM   6720  CA  ILE E  10      63.915 106.455   4.350  1.00 16.14           C  
-ATOM   6721  C   ILE E  10      64.127 104.943   4.254  1.00 16.90           C  
-ATOM   6722  O   ILE E  10      64.272 104.413   3.171  1.00 16.47           O  
-ATOM   6723  CB  ILE E  10      65.190 107.134   4.883  1.00 16.42           C  
-ATOM   6724  CG1 ILE E  10      65.140 108.644   4.603  1.00 15.38           C  
-ATOM   6725  CG2 ILE E  10      66.446 106.502   4.242  1.00 15.68           C  
-ATOM   6726  CD1 ILE E  10      66.194 109.446   5.319  1.00 13.95           C  
-ATOM   6727  N   ARG E  11      64.153 104.263   5.388  1.00 16.28           N  
-ATOM   6728  CA  ARG E  11      64.299 102.835   5.398  1.00 18.53           C  
-ATOM   6729  C   ARG E  11      63.190 102.121   4.624  1.00 18.18           C  
-ATOM   6730  O   ARG E  11      63.470 101.169   3.908  1.00 18.62           O  
-ATOM   6731  CB  ARG E  11      64.344 102.320   6.821  1.00 18.79           C  
-ATOM   6732  CG  ARG E  11      65.106 101.032   6.930  1.00 25.15           C  
-ATOM   6733  CD  ARG E  11      65.299 100.564   8.382  1.00 33.86           C  
-ATOM   6734  NE  ARG E  11      66.018  99.286   8.434  1.00 40.75           N  
-ATOM   6735  CZ  ARG E  11      65.589  98.186   9.072  1.00 43.47           C  
-ATOM   6736  NH1 ARG E  11      64.428  98.185   9.735  1.00 43.99           N  
-ATOM   6737  NH2 ARG E  11      66.329  97.076   9.042  1.00 43.47           N  
-ATOM   6738  N   GLN E  12      61.951 102.588   4.739  1.00 17.87           N  
-ATOM   6739  CA  GLN E  12      60.828 101.911   4.086  1.00 19.24           C  
-ATOM   6740  C   GLN E  12      60.758 102.104   2.581  1.00 19.93           C  
-ATOM   6741  O   GLN E  12      60.191 101.292   1.876  1.00 20.71           O  
-ATOM   6742  CB  GLN E  12      59.481 102.237   4.789  1.00 19.03           C  
-ATOM   6743  CG  GLN E  12      59.254 101.374   6.020  1.00 18.94           C  
-ATOM   6744  CD  GLN E  12      59.052  99.890   5.679  1.00 25.23           C  
-ATOM   6745  OE1 GLN E  12      57.928  99.467   5.335  1.00 29.21           O  
-ATOM   6746  NE2 GLN E  12      60.121  99.107   5.750  1.00 23.73           N  
-ATOM   6747  N   THR E  13      61.405 103.143   2.088  1.00 21.07           N  
-ATOM   6748  CA  THR E  13      61.365 103.485   0.679  1.00 22.14           C  
-ATOM   6749  C   THR E  13      62.782 103.608   0.125  1.00 24.38           C  
-ATOM   6750  O   THR E  13      62.989 104.054  -1.015  1.00 25.37           O  
-ATOM   6751  CB  THR E  13      60.574 104.797   0.474  1.00 21.56           C  
-ATOM   6752  OG1 THR E  13      61.163 105.846   1.267  1.00 20.54           O  
-ATOM   6753  CG2 THR E  13      59.179 104.650   1.060  1.00 19.73           C  
-ATOM   6754  N   SER E  14      63.756 103.188   0.937  1.00 26.16           N  
-ATOM   6755  CA  SER E  14      65.132 102.972   0.459  1.00 26.96           C  
-ATOM   6756  C   SER E  14      65.062 102.148  -0.811  1.00 26.63           C  
-ATOM   6757  O   SER E  14      64.515 101.024  -0.808  1.00 27.79           O  
-ATOM   6758  CB  SER E  14      65.992 102.258   1.508  1.00 26.83           C  
-ATOM   6759  OG  SER E  14      65.511 100.942   1.772  1.00 26.08           O  
-ATOM   6760  N   ARG E  15      65.527 102.744  -1.906  1.00 25.80           N  
-ATOM   6761  CA  ARG E  15      65.702 102.003  -3.154  1.00 24.47           C  
-ATOM   6762  C   ARG E  15      67.223 101.950  -3.405  1.00 23.57           C  
-ATOM   6763  O   ARG E  15      67.745 102.644  -4.295  1.00 21.91           O  
-ATOM   6764  CB  ARG E  15      64.971 102.728  -4.284  1.00 24.96           C  
-ATOM   6765  CG  ARG E  15      63.503 102.343  -4.480  1.00 25.91           C  
-ATOM   6766  CD  ARG E  15      63.228 100.842  -4.358  1.00 26.47           C  
-ATOM   6767  NE  ARG E  15      63.682 100.101  -5.551  1.00 29.15           N  
-ATOM   6768  CZ  ARG E  15      62.949  99.909  -6.666  1.00 25.47           C  
-ATOM   6769  NH1 ARG E  15      61.720 100.396  -6.753  1.00 25.39           N  
-ATOM   6770  NH2 ARG E  15      63.445  99.213  -7.685  1.00 21.43           N  
-ATOM   6771  N   PRO E  16      67.917 101.157  -2.585  1.00 22.76           N  
-ATOM   6772  CA  PRO E  16      69.397 101.157  -2.518  1.00 22.25           C  
-ATOM   6773  C   PRO E  16      70.129 100.815  -3.839  1.00 21.05           C  
-ATOM   6774  O   PRO E  16      71.277 101.270  -4.028  1.00 19.91           O  
-ATOM   6775  CB  PRO E  16      69.715 100.088  -1.443  1.00 22.09           C  
-ATOM   6776  CG  PRO E  16      68.433  99.965  -0.605  1.00 22.98           C  
-ATOM   6777  CD  PRO E  16      67.312 100.225  -1.607  1.00 23.39           C  
-ATOM   6778  N   ASP E  17      69.471 100.041  -4.697  1.00 19.25           N  
-ATOM   6779  CA  ASP E  17      70.005  99.618  -5.981  1.00 19.89           C  
-ATOM   6780  C   ASP E  17      69.618 100.555  -7.103  1.00 18.71           C  
-ATOM   6781  O   ASP E  17      69.944 100.299  -8.260  1.00 18.76           O  
-ATOM   6782  CB  ASP E  17      69.452  98.235  -6.371  1.00 19.93           C  
-ATOM   6783  CG  ASP E  17      69.716  97.175  -5.327  1.00 25.04           C  
-ATOM   6784  OD1 ASP E  17      70.673  97.347  -4.516  1.00 29.41           O  
-ATOM   6785  OD2 ASP E  17      69.024  96.116  -5.255  1.00 28.91           O  
-ATOM   6786  N   VAL E  18      68.863 101.595  -6.804  1.00 17.71           N  
-ATOM   6787  CA  VAL E  18      68.389 102.437  -7.887  1.00 17.52           C  
-ATOM   6788  C   VAL E  18      69.180 103.730  -7.885  1.00 17.42           C  
-ATOM   6789  O   VAL E  18      69.094 104.506  -6.957  1.00 16.83           O  
-ATOM   6790  CB  VAL E  18      66.869 102.679  -7.805  1.00 17.37           C  
-ATOM   6791  CG1 VAL E  18      66.428 103.538  -8.939  1.00 17.18           C  
-ATOM   6792  CG2 VAL E  18      66.110 101.343  -7.776  1.00 16.01           C  
-ATOM   6793  N   ILE E  19      69.963 103.944  -8.928  1.00 17.52           N  
-ATOM   6794  CA  ILE E  19      70.655 105.225  -9.117  1.00 18.10           C  
-ATOM   6795  C   ILE E  19      69.622 106.388  -9.224  1.00 18.92           C  
-ATOM   6796  O   ILE E  19      68.664 106.298  -9.996  1.00 18.28           O  
-ATOM   6797  CB  ILE E  19      71.598 105.156 -10.353  1.00 17.75           C  
-ATOM   6798  CG1 ILE E  19      72.380 106.473 -10.537  1.00 17.42           C  
-ATOM   6799  CG2 ILE E  19      70.829 104.736 -11.627  1.00 16.78           C  
-ATOM   6800  CD1 ILE E  19      73.442 106.407 -11.606  1.00 16.12           C  
-ATOM   6801  N   PRO E  20      69.788 107.434  -8.413  1.00 19.87           N  
-ATOM   6802  CA  PRO E  20      68.799 108.520  -8.327  1.00 21.22           C  
-ATOM   6803  C   PRO E  20      68.966 109.497  -9.483  1.00 22.85           C  
-ATOM   6804  O   PRO E  20      69.154 110.695  -9.299  1.00 22.90           O  
-ATOM   6805  CB  PRO E  20      69.152 109.191  -7.000  1.00 20.88           C  
-ATOM   6806  CG  PRO E  20      70.637 109.018  -6.893  1.00 20.46           C  
-ATOM   6807  CD  PRO E  20      70.903 107.659  -7.477  1.00 20.38           C  
-ATOM   6808  N   THR E  21      68.934 108.948 -10.681  1.00 24.81           N  
-ATOM   6809  CA  THR E  21      68.916 109.709 -11.915  1.00 27.43           C  
-ATOM   6810  C   THR E  21      67.618 110.551 -12.011  1.00 28.89           C  
-ATOM   6811  O   THR E  21      66.540 110.092 -11.637  1.00 29.14           O  
-ATOM   6812  CB  THR E  21      69.018 108.698 -13.073  1.00 27.13           C  
-ATOM   6813  OG1 THR E  21      70.351 108.708 -13.636  1.00 28.63           O  
-ATOM   6814  CG2 THR E  21      68.126 109.088 -14.224  1.00 28.86           C  
-ATOM   6815  N   GLN E  22      67.724 111.780 -12.505  1.00 30.92           N  
-ATOM   6816  CA  GLN E  22      66.548 112.591 -12.800  1.00 32.64           C  
-ATOM   6817  C   GLN E  22      66.471 112.769 -14.313  1.00 33.17           C  
-ATOM   6818  O   GLN E  22      67.490 113.056 -14.962  1.00 33.41           O  
-ATOM   6819  CB  GLN E  22      66.644 113.961 -12.123  1.00 33.02           C  
-ATOM   6820  CG  GLN E  22      66.789 113.944 -10.605  1.00 36.13           C  
-ATOM   6821  CD  GLN E  22      65.492 114.339  -9.902  1.00 40.20           C  
-ATOM   6822  OE1 GLN E  22      65.407 115.410  -9.275  1.00 40.43           O  
-ATOM   6823  NE2 GLN E  22      64.473 113.474 -10.010  1.00 42.17           N  
-ATOM   6824  N   ARG E  23      65.288 112.562 -14.884  1.00 33.44           N  
-ATOM   6825  CA  ARG E  23      65.089 112.806 -16.309  1.00 34.26           C  
-ATOM   6826  C   ARG E  23      66.340 112.513 -17.166  1.00 33.95           C  
-ATOM   6827  O   ARG E  23      66.808 113.393 -17.910  1.00 33.84           O  
-ATOM   6828  CB  ARG E  23      64.660 114.267 -16.509  1.00 34.81           C  
-ATOM   6829  CG  ARG E  23      63.653 114.486 -17.614  1.00 37.57           C  
-ATOM   6830  CD  ARG E  23      63.514 115.941 -18.016  1.00 42.07           C  
-ATOM   6831  NE  ARG E  23      62.300 116.533 -17.454  1.00 45.00           N  
-ATOM   6832  CZ  ARG E  23      61.339 117.109 -18.171  1.00 46.30           C  
-ATOM   6833  NH1 ARG E  23      61.450 117.189 -19.495  1.00 45.93           N  
-ATOM   6834  NH2 ARG E  23      60.267 117.610 -17.557  1.00 47.01           N  
-ATOM   6835  N   ASP E  24      66.884 111.298 -17.040  1.00 33.49           N  
-ATOM   6836  CA  ASP E  24      67.990 110.798 -17.898  1.00 33.39           C  
-ATOM   6837  C   ASP E  24      69.337 111.592 -17.888  1.00 32.15           C  
-ATOM   6838  O   ASP E  24      70.125 111.525 -18.852  1.00 31.65           O  
-ATOM   6839  CB  ASP E  24      67.502 110.535 -19.340  1.00 33.80           C  
-ATOM   6840  CG  ASP E  24      67.492 111.799 -20.213  1.00 36.85           C  
-ATOM   6841  OD1 ASP E  24      68.544 112.129 -20.828  1.00 39.63           O  
-ATOM   6842  OD2 ASP E  24      66.466 112.514 -20.370  1.00 38.74           O  
-ATOM   6843  N   ARG E  25      69.592 112.320 -16.796  1.00 30.06           N  
-ATOM   6844  CA  ARG E  25      70.781 113.172 -16.695  1.00 27.82           C  
-ATOM   6845  C   ARG E  25      71.639 112.678 -15.538  1.00 25.54           C  
-ATOM   6846  O   ARG E  25      71.099 112.279 -14.501  1.00 25.31           O  
-ATOM   6847  CB  ARG E  25      70.405 114.645 -16.515  1.00 27.86           C  
-ATOM   6848  CG  ARG E  25      70.641 115.522 -17.769  1.00 28.52           C  
-ATOM   6849  CD  ARG E  25      71.670 116.659 -17.577  1.00 30.11           C  
-ATOM   6850  NE  ARG E  25      71.842 117.484 -18.781  1.00 31.40           N  
-ATOM   6851  CZ  ARG E  25      71.092 118.548 -19.103  1.00 30.83           C  
-ATOM   6852  NH1 ARG E  25      70.098 118.952 -18.311  1.00 29.58           N  
-ATOM   6853  NH2 ARG E  25      71.339 119.217 -20.228  1.00 29.52           N  
-ATOM   6854  N   PRO E  26      72.967 112.734 -15.698  1.00 23.03           N  
-ATOM   6855  CA  PRO E  26      73.860 111.973 -14.807  1.00 21.10           C  
-ATOM   6856  C   PRO E  26      73.748 112.453 -13.364  1.00 19.95           C  
-ATOM   6857  O   PRO E  26      73.475 113.625 -13.132  1.00 19.24           O  
-ATOM   6858  CB  PRO E  26      75.266 112.241 -15.371  1.00 21.15           C  
-ATOM   6859  CG  PRO E  26      75.131 113.530 -16.235  1.00 21.45           C  
-ATOM   6860  CD  PRO E  26      73.703 113.568 -16.681  1.00 22.28           C  
-ATOM   6861  N   VAL E  27      73.911 111.539 -12.411  1.00 18.45           N  
-ATOM   6862  CA  VAL E  27      74.060 111.895 -11.013  1.00 17.71           C  
-ATOM   6863  C   VAL E  27      75.454 112.512 -10.854  1.00 17.28           C  
-ATOM   6864  O   VAL E  27      76.447 111.846 -11.152  1.00 16.91           O  
-ATOM   6865  CB  VAL E  27      73.940 110.643 -10.103  1.00 17.83           C  
-ATOM   6866  CG1 VAL E  27      74.234 110.994  -8.646  1.00 17.88           C  
-ATOM   6867  CG2 VAL E  27      72.553 110.019 -10.210  1.00 17.69           C  
-ATOM   6868  N   ALA E  28      75.522 113.782 -10.436  1.00 16.45           N  
-ATOM   6869  CA  ALA E  28      76.805 114.441 -10.197  1.00 16.28           C  
-ATOM   6870  C   ALA E  28      77.372 114.048  -8.840  1.00 16.23           C  
-ATOM   6871  O   ALA E  28      76.801 114.363  -7.789  1.00 15.64           O  
-ATOM   6872  CB  ALA E  28      76.703 115.966 -10.307  1.00 15.96           C  
-ATOM   6873  N   VAL E  29      78.507 113.364  -8.882  1.00 16.00           N  
-ATOM   6874  CA  VAL E  29      79.170 112.896  -7.690  1.00 16.41           C  
-ATOM   6875  C   VAL E  29      80.481 113.647  -7.501  1.00 17.26           C  
-ATOM   6876  O   VAL E  29      81.300 113.720  -8.408  1.00 17.46           O  
-ATOM   6877  CB  VAL E  29      79.461 111.359  -7.782  1.00 16.12           C  
-ATOM   6878  CG1 VAL E  29      80.202 110.888  -6.564  1.00 15.03           C  
-ATOM   6879  CG2 VAL E  29      78.193 110.614  -7.916  1.00 15.78           C  
-ATOM   6880  N   SER E  30      80.684 114.200  -6.320  1.00 17.82           N  
-ATOM   6881  CA  SER E  30      81.929 114.862  -6.004  1.00 19.03           C  
-ATOM   6882  C   SER E  30      82.738 113.939  -5.125  1.00 19.51           C  
-ATOM   6883  O   SER E  30      82.185 113.314  -4.188  1.00 19.37           O  
-ATOM   6884  CB  SER E  30      81.690 116.195  -5.279  1.00 18.79           C  
-ATOM   6885  OG  SER E  30      80.945 117.084  -6.107  1.00 21.45           O  
-ATOM   6886  N   VAL E  31      84.024 113.828  -5.449  1.00 19.66           N  
-ATOM   6887  CA  VAL E  31      84.960 113.048  -4.672  1.00 20.81           C  
-ATOM   6888  C   VAL E  31      86.202 113.852  -4.364  1.00 21.20           C  
-ATOM   6889  O   VAL E  31      86.723 114.583  -5.198  1.00 20.96           O  
-ATOM   6890  CB  VAL E  31      85.449 111.770  -5.383  1.00 21.43           C  
-ATOM   6891  CG1 VAL E  31      85.795 110.702  -4.330  1.00 21.03           C  
-ATOM   6892  CG2 VAL E  31      84.437 111.241  -6.360  1.00 22.34           C  
-ATOM   6893  N   SER E  32      86.696 113.668  -3.156  1.00 21.62           N  
-ATOM   6894  CA  SER E  32      87.880 114.351  -2.695  1.00 22.70           C  
-ATOM   6895  C   SER E  32      88.528 113.448  -1.666  1.00 22.58           C  
-ATOM   6896  O   SER E  32      87.827 112.912  -0.780  1.00 22.98           O  
-ATOM   6897  CB  SER E  32      87.469 115.661  -2.049  1.00 22.78           C  
-ATOM   6898  OG  SER E  32      88.588 116.239  -1.423  1.00 27.20           O  
-ATOM   6899  N   LEU E  33      89.838 113.242  -1.789  1.00 22.22           N  
-ATOM   6900  CA  LEU E  33      90.547 112.389  -0.838  1.00 21.74           C  
-ATOM   6901  C   LEU E  33      91.273 113.267   0.155  1.00 21.83           C  
-ATOM   6902  O   LEU E  33      92.056 114.136  -0.247  1.00 22.01           O  
-ATOM   6903  CB  LEU E  33      91.503 111.430  -1.539  1.00 21.28           C  
-ATOM   6904  CG  LEU E  33      90.977 110.477  -2.635  1.00 21.43           C  
-ATOM   6905  CD1 LEU E  33      92.041 109.499  -3.033  1.00 19.63           C  
-ATOM   6906  CD2 LEU E  33      89.739 109.735  -2.227  1.00 20.74           C  
-ATOM   6907  N   LYS E  34      90.998 113.083   1.449  1.00 21.29           N  
-ATOM   6908  CA  LYS E  34      91.773 113.770   2.483  1.00 20.47           C  
-ATOM   6909  C   LYS E  34      92.752 112.805   3.098  1.00 19.65           C  
-ATOM   6910  O   LYS E  34      92.373 111.913   3.860  1.00 19.56           O  
-ATOM   6911  CB  LYS E  34      90.877 114.352   3.587  1.00 21.18           C  
-ATOM   6912  CG  LYS E  34      89.603 114.990   3.076  1.00 23.34           C  
-ATOM   6913  CD  LYS E  34      89.870 116.358   2.523  1.00 27.55           C  
-ATOM   6914  CE  LYS E  34      88.652 116.886   1.755  1.00 30.50           C  
-ATOM   6915  NZ  LYS E  34      88.932 118.211   1.087  1.00 33.50           N  
-ATOM   6916  N   PHE E  35      94.020 112.987   2.777  1.00 18.60           N  
-ATOM   6917  CA  PHE E  35      95.031 112.040   3.212  1.00 17.53           C  
-ATOM   6918  C   PHE E  35      95.325 112.173   4.679  1.00 17.06           C  
-ATOM   6919  O   PHE E  35      95.532 113.297   5.187  1.00 16.43           O  
-ATOM   6920  CB  PHE E  35      96.271 112.168   2.337  1.00 17.37           C  
-ATOM   6921  CG  PHE E  35      96.034 111.711   0.909  1.00 17.51           C  
-ATOM   6922  CD1 PHE E  35      96.023 110.360   0.594  1.00 17.89           C  
-ATOM   6923  CD2 PHE E  35      95.787 112.641  -0.104  1.00 18.31           C  
-ATOM   6924  CE1 PHE E  35      95.797 109.936  -0.707  1.00 18.97           C  
-ATOM   6925  CE2 PHE E  35      95.559 112.233  -1.397  1.00 17.88           C  
-ATOM   6926  CZ  PHE E  35      95.559 110.857  -1.701  1.00 18.17           C  
-ATOM   6927  N   ILE E  36      95.283 111.031   5.377  1.00 16.22           N  
-ATOM   6928  CA  ILE E  36      95.538 111.020   6.831  1.00 16.15           C  
-ATOM   6929  C   ILE E  36      96.925 110.470   7.175  1.00 16.42           C  
-ATOM   6930  O   ILE E  36      97.621 111.002   8.032  1.00 15.92           O  
-ATOM   6931  CB  ILE E  36      94.424 110.232   7.565  1.00 16.13           C  
-ATOM   6932  CG1 ILE E  36      93.058 110.648   7.034  1.00 15.60           C  
-ATOM   6933  CG2 ILE E  36      94.505 110.478   9.103  1.00 14.83           C  
-ATOM   6934  CD1 ILE E  36      92.719 112.173   7.233  1.00 13.87           C  
-ATOM   6935  N   ASN E  37      97.303 109.401   6.480  1.00 17.00           N  
-ATOM   6936  CA  ASN E  37      98.560 108.731   6.701  1.00 18.30           C  
-ATOM   6937  C   ASN E  37      99.062 107.965   5.485  1.00 18.75           C  
-ATOM   6938  O   ASN E  37      98.282 107.511   4.662  1.00 18.90           O  
-ATOM   6939  CB  ASN E  37      98.484 107.803   7.897  1.00 17.57           C  
-ATOM   6940  CG  ASN E  37      99.613 108.035   8.854  1.00 20.05           C  
-ATOM   6941  OD1 ASN E  37     100.832 108.080   8.465  1.00 19.69           O  
-ATOM   6942  ND2 ASN E  37      99.250 108.206  10.124  1.00 16.72           N  
-ATOM   6943  N   ILE E  38     100.385 107.874   5.384  1.00 19.28           N  
-ATOM   6944  CA  ILE E  38     101.047 106.992   4.439  1.00 19.67           C  
-ATOM   6945  C   ILE E  38     101.842 106.004   5.291  1.00 20.38           C  
-ATOM   6946  O   ILE E  38     102.779 106.391   6.018  1.00 20.40           O  
-ATOM   6947  CB  ILE E  38     101.937 107.793   3.510  1.00 19.88           C  
-ATOM   6948  CG1 ILE E  38     101.073 108.781   2.698  1.00 19.82           C  
-ATOM   6949  CG2 ILE E  38     102.717 106.848   2.588  1.00 19.33           C  
-ATOM   6950  CD1 ILE E  38     101.841 109.965   2.112  1.00 19.85           C  
-ATOM   6951  N   LEU E  39     101.430 104.736   5.241  1.00 21.06           N  
-ATOM   6952  CA  LEU E  39     101.893 103.750   6.220  1.00 21.85           C  
-ATOM   6953  C   LEU E  39     103.060 102.925   5.746  1.00 22.47           C  
-ATOM   6954  O   LEU E  39     103.875 102.462   6.556  1.00 23.12           O  
-ATOM   6955  CB  LEU E  39     100.756 102.809   6.584  1.00 21.69           C  
-ATOM   6956  CG  LEU E  39      99.531 103.566   7.105  1.00 23.00           C  
-ATOM   6957  CD1 LEU E  39      98.392 102.651   7.280  1.00 23.67           C  
-ATOM   6958  CD2 LEU E  39      99.830 104.271   8.420  1.00 23.07           C  
-ATOM   6959  N   GLU E  40     103.111 102.706   4.438  1.00 22.53           N  
-ATOM   6960  CA  GLU E  40     104.168 101.907   3.854  1.00 23.12           C  
-ATOM   6961  C   GLU E  40     104.360 102.287   2.398  1.00 22.23           C  
-ATOM   6962  O   GLU E  40     103.393 102.455   1.657  1.00 22.59           O  
-ATOM   6963  CB  GLU E  40     103.846 100.425   3.981  1.00 23.40           C  
-ATOM   6964  CG  GLU E  40     105.008  99.533   3.552  1.00 27.29           C  
-ATOM   6965  CD  GLU E  40     104.703  98.042   3.648  1.00 32.02           C  
-ATOM   6966  OE1 GLU E  40     103.552  97.639   3.347  1.00 33.03           O  
-ATOM   6967  OE2 GLU E  40     105.623  97.274   4.018  1.00 33.40           O  
-ATOM   6968  N   VAL E  41     105.613 102.410   2.010  1.00 21.37           N  
-ATOM   6969  CA  VAL E  41     105.999 102.795   0.674  1.00 20.78           C  
-ATOM   6970  C   VAL E  41     107.105 101.817   0.277  1.00 20.41           C  
-ATOM   6971  O   VAL E  41     107.966 101.503   1.092  1.00 19.89           O  
-ATOM   6972  CB  VAL E  41     106.468 104.263   0.717  1.00 20.80           C  
-ATOM   6973  CG1 VAL E  41     107.517 104.573  -0.320  1.00 20.89           C  
-ATOM   6974  CG2 VAL E  41     105.291 105.184   0.587  1.00 20.46           C  
-ATOM   6975  N   ASN E  42     107.053 101.312  -0.949  1.00 20.33           N  
-ATOM   6976  CA  ASN E  42     108.067 100.420  -1.466  1.00 20.38           C  
-ATOM   6977  C   ASN E  42     108.500 100.907  -2.828  1.00 20.62           C  
-ATOM   6978  O   ASN E  42     107.743 100.798  -3.781  1.00 20.41           O  
-ATOM   6979  CB  ASN E  42     107.518  98.996  -1.551  1.00 20.52           C  
-ATOM   6980  CG  ASN E  42     108.608  97.949  -1.830  1.00 20.69           C  
-ATOM   6981  OD1 ASN E  42     109.511  98.159  -2.648  1.00 21.49           O  
-ATOM   6982  ND2 ASN E  42     108.519  96.817  -1.148  1.00 19.29           N  
-ATOM   6983  N   GLU E  43     109.719 101.439  -2.905  1.00 21.24           N  
-ATOM   6984  CA  GLU E  43     110.221 102.029  -4.136  1.00 22.00           C  
-ATOM   6985  C   GLU E  43     110.560 100.957  -5.182  1.00 21.88           C  
-ATOM   6986  O   GLU E  43     110.535 101.238  -6.390  1.00 21.83           O  
-ATOM   6987  CB  GLU E  43     111.411 102.983  -3.863  1.00 22.28           C  
-ATOM   6988  CG  GLU E  43     111.451 104.196  -4.800  1.00 24.21           C  
-ATOM   6989  CD  GLU E  43     112.617 105.141  -4.549  1.00 27.20           C  
-ATOM   6990  OE1 GLU E  43     113.001 105.302  -3.369  1.00 28.69           O  
-ATOM   6991  OE2 GLU E  43     113.149 105.730  -5.533  1.00 27.44           O  
-ATOM   6992  N   ILE E  44     110.853  99.739  -4.719  1.00 21.70           N  
-ATOM   6993  CA  ILE E  44     111.176  98.632  -5.620  1.00 21.87           C  
-ATOM   6994  C   ILE E  44     109.919  98.155  -6.338  1.00 21.47           C  
-ATOM   6995  O   ILE E  44     109.918  98.024  -7.554  1.00 21.50           O  
-ATOM   6996  CB  ILE E  44     111.877  97.453  -4.864  1.00 22.32           C  
-ATOM   6997  CG1 ILE E  44     113.142  97.919  -4.102  1.00 22.75           C  
-ATOM   6998  CG2 ILE E  44     112.177  96.276  -5.818  1.00 22.56           C  
-ATOM   6999  CD1 ILE E  44     114.216  98.578  -4.959  1.00 24.28           C  
-ATOM   7000  N   THR E  45     108.846  97.926  -5.581  1.00 20.78           N  
-ATOM   7001  CA  THR E  45     107.619  97.375  -6.141  1.00 20.40           C  
-ATOM   7002  C   THR E  45     106.634  98.435  -6.636  1.00 19.92           C  
-ATOM   7003  O   THR E  45     105.664  98.095  -7.294  1.00 19.81           O  
-ATOM   7004  CB  THR E  45     106.901  96.399  -5.157  1.00 20.52           C  
-ATOM   7005  OG1 THR E  45     106.453  97.093  -3.979  1.00 20.44           O  
-ATOM   7006  CG2 THR E  45     107.850  95.325  -4.643  1.00 20.12           C  
-ATOM   7007  N   ASN E  46     106.895  99.701  -6.324  1.00 19.28           N  
-ATOM   7008  CA  ASN E  46     106.008 100.808  -6.668  1.00 18.72           C  
-ATOM   7009  C   ASN E  46     104.620 100.634  -6.048  1.00 18.83           C  
-ATOM   7010  O   ASN E  46     103.583 100.746  -6.720  1.00 18.30           O  
-ATOM   7011  CB  ASN E  46     105.906 101.009  -8.184  1.00 18.51           C  
-ATOM   7012  CG  ASN E  46     106.948 101.978  -8.728  1.00 18.27           C  
-ATOM   7013  OD1 ASN E  46     107.338 102.947  -8.077  1.00 17.27           O  
-ATOM   7014  ND2 ASN E  46     107.379 101.725  -9.949  1.00 15.42           N  
-ATOM   7015  N   GLU E  47     104.614 100.358  -4.752  1.00 18.92           N  
-ATOM   7016  CA  GLU E  47     103.389 100.153  -4.007  1.00 19.31           C  
-ATOM   7017  C   GLU E  47     103.363 101.072  -2.792  1.00 19.65           C  
-ATOM   7018  O   GLU E  47     104.411 101.363  -2.198  1.00 19.47           O  
-ATOM   7019  CB  GLU E  47     103.258  98.684  -3.592  1.00 19.53           C  
-ATOM   7020  CG  GLU E  47     103.097  97.726  -4.786  1.00 21.58           C  
-ATOM   7021  CD  GLU E  47     103.106  96.248  -4.407  1.00 25.83           C  
-ATOM   7022  OE1 GLU E  47     102.831  95.913  -3.228  1.00 27.67           O  
-ATOM   7023  OE2 GLU E  47     103.379  95.407  -5.301  1.00 27.93           O  
-ATOM   7024  N   VAL E  48     102.166 101.536  -2.434  1.00 19.51           N  
-ATOM   7025  CA  VAL E  48     101.974 102.411  -1.280  1.00 20.15           C  
-ATOM   7026  C   VAL E  48     100.709 102.007  -0.525  1.00 20.16           C  
-ATOM   7027  O   VAL E  48      99.725 101.613  -1.119  1.00 20.19           O  
-ATOM   7028  CB  VAL E  48     101.897 103.948  -1.667  1.00 20.15           C  
-ATOM   7029  CG1 VAL E  48     103.083 104.385  -2.451  1.00 20.43           C  
-ATOM   7030  CG2 VAL E  48     100.658 104.256  -2.475  1.00 20.91           C  
-ATOM   7031  N   ASP E  49     100.753 102.118   0.791  1.00 20.72           N  
-ATOM   7032  CA  ASP E  49      99.657 101.755   1.698  1.00 21.42           C  
-ATOM   7033  C   ASP E  49      99.236 103.079   2.325  1.00 21.16           C  
-ATOM   7034  O   ASP E  49     100.045 103.754   2.980  1.00 20.97           O  
-ATOM   7035  CB  ASP E  49     100.203 100.816   2.777  1.00 22.25           C  
-ATOM   7036  CG  ASP E  49      99.140  99.990   3.498  1.00 24.98           C  
-ATOM   7037  OD1 ASP E  49      97.925 100.255   3.454  1.00 28.62           O  
-ATOM   7038  OD2 ASP E  49      99.462  99.024   4.217  1.00 28.92           O  
-ATOM   7039  N   VAL E  50      97.983 103.473   2.105  1.00 20.64           N  
-ATOM   7040  CA  VAL E  50      97.538 104.812   2.498  1.00 20.58           C  
-ATOM   7041  C   VAL E  50      96.218 104.807   3.306  1.00 19.84           C  
-ATOM   7042  O   VAL E  50      95.353 103.933   3.111  1.00 19.38           O  
-ATOM   7043  CB  VAL E  50      97.367 105.736   1.249  1.00 20.98           C  
-ATOM   7044  CG1 VAL E  50      96.929 107.103   1.669  1.00 22.71           C  
-ATOM   7045  CG2 VAL E  50      98.658 105.889   0.472  1.00 22.42           C  
-ATOM   7046  N   VAL E  51      96.062 105.788   4.200  1.00 18.57           N  
-ATOM   7047  CA  VAL E  51      94.791 106.021   4.871  1.00 17.61           C  
-ATOM   7048  C   VAL E  51      94.269 107.388   4.462  1.00 17.31           C  
-ATOM   7049  O   VAL E  51      94.999 108.368   4.563  1.00 16.76           O  
-ATOM   7050  CB  VAL E  51      94.910 105.955   6.412  1.00 17.94           C  
-ATOM   7051  CG1 VAL E  51      93.548 106.262   7.084  1.00 17.41           C  
-ATOM   7052  CG2 VAL E  51      95.446 104.589   6.857  1.00 17.27           C  
-ATOM   7053  N   PHE E  52      93.013 107.422   3.998  1.00 16.66           N  
-ATOM   7054  CA  PHE E  52      92.361 108.629   3.493  1.00 15.84           C  
-ATOM   7055  C   PHE E  52      90.839 108.687   3.844  1.00 16.50           C  
-ATOM   7056  O   PHE E  52      90.136 107.647   4.000  1.00 15.10           O  
-ATOM   7057  CB  PHE E  52      92.619 108.820   1.970  1.00 15.84           C  
-ATOM   7058  CG  PHE E  52      92.191 107.649   1.113  1.00 16.18           C  
-ATOM   7059  CD1 PHE E  52      90.887 107.566   0.619  1.00 19.04           C  
-ATOM   7060  CD2 PHE E  52      93.065 106.603   0.832  1.00 14.89           C  
-ATOM   7061  CE1 PHE E  52      90.474 106.465  -0.181  1.00 16.92           C  
-ATOM   7062  CE2 PHE E  52      92.665 105.501   0.063  1.00 14.76           C  
-ATOM   7063  CZ  PHE E  52      91.374 105.429  -0.450  1.00 15.46           C  
-ATOM   7064  N   TRP E  53      90.346 109.908   4.035  1.00 16.52           N  
-ATOM   7065  CA  TRP E  53      88.912 110.102   4.112  1.00 17.22           C  
-ATOM   7066  C   TRP E  53      88.429 110.366   2.688  1.00 18.03           C  
-ATOM   7067  O   TRP E  53      88.936 111.268   1.993  1.00 18.24           O  
-ATOM   7068  CB  TRP E  53      88.547 111.248   5.031  1.00 16.66           C  
-ATOM   7069  CG  TRP E  53      89.045 111.116   6.439  1.00 16.69           C  
-ATOM   7070  CD1 TRP E  53      89.492 109.983   7.058  1.00 16.77           C  
-ATOM   7071  CD2 TRP E  53      89.132 112.163   7.409  1.00 16.40           C  
-ATOM   7072  NE1 TRP E  53      89.869 110.274   8.349  1.00 17.29           N  
-ATOM   7073  CE2 TRP E  53      89.654 111.601   8.589  1.00 16.85           C  
-ATOM   7074  CE3 TRP E  53      88.827 113.530   7.393  1.00 18.43           C  
-ATOM   7075  CZ2 TRP E  53      89.881 112.344   9.743  1.00 18.90           C  
-ATOM   7076  CZ3 TRP E  53      89.042 114.287   8.550  1.00 19.54           C  
-ATOM   7077  CH2 TRP E  53      89.572 113.691   9.710  1.00 19.32           C  
-ATOM   7078  N   GLN E  54      87.479 109.552   2.236  1.00 18.70           N  
-ATOM   7079  CA  GLN E  54      86.988 109.657   0.886  1.00 19.68           C  
-ATOM   7080  C   GLN E  54      85.704 110.425   0.958  1.00 19.71           C  
-ATOM   7081  O   GLN E  54      84.606 109.850   1.077  1.00 19.93           O  
-ATOM   7082  CB  GLN E  54      86.798 108.263   0.240  1.00 20.22           C  
-ATOM   7083  CG  GLN E  54      86.392 108.279  -1.226  1.00 22.97           C  
-ATOM   7084  CD  GLN E  54      86.472 106.886  -1.854  1.00 27.87           C  
-ATOM   7085  OE1 GLN E  54      87.559 106.303  -1.950  1.00 29.65           O  
-ATOM   7086  NE2 GLN E  54      85.330 106.353  -2.278  1.00 29.29           N  
-ATOM   7087  N   GLN E  55      85.833 111.742   0.860  1.00 19.67           N  
-ATOM   7088  CA  GLN E  55      84.684 112.604   0.957  1.00 19.99           C  
-ATOM   7089  C   GLN E  55      83.868 112.487  -0.329  1.00 20.04           C  
-ATOM   7090  O   GLN E  55      84.315 112.889  -1.398  1.00 19.42           O  
-ATOM   7091  CB  GLN E  55      85.118 114.049   1.212  1.00 20.05           C  
-ATOM   7092  CG  GLN E  55      83.970 115.012   1.251  1.00 22.20           C  
-ATOM   7093  CD  GLN E  55      84.417 116.471   1.470  1.00 26.41           C  
-ATOM   7094  OE1 GLN E  55      85.531 116.721   1.894  1.00 28.45           O  
-ATOM   7095  NE2 GLN E  55      83.541 117.414   1.176  1.00 26.83           N  
-ATOM   7096  N   THR E  56      82.656 111.941  -0.195  1.00 19.91           N  
-ATOM   7097  CA  THR E  56      81.786 111.679  -1.328  1.00 19.86           C  
-ATOM   7098  C   THR E  56      80.450 112.324  -1.148  1.00 19.76           C  
-ATOM   7099  O   THR E  56      79.819 112.216  -0.107  1.00 19.62           O  
-ATOM   7100  CB  THR E  56      81.608 110.175  -1.493  1.00 20.46           C  
-ATOM   7101  OG1 THR E  56      82.866 109.539  -1.224  1.00 22.65           O  
-ATOM   7102  CG2 THR E  56      81.347 109.830  -2.926  1.00 19.88           C  
-ATOM   7103  N   THR E  57      80.003 112.977  -2.203  1.00 19.44           N  
-ATOM   7104  CA  THR E  57      78.886 113.868  -2.115  1.00 19.69           C  
-ATOM   7105  C   THR E  57      78.037 113.695  -3.355  1.00 18.87           C  
-ATOM   7106  O   THR E  57      78.584 113.599  -4.456  1.00 18.07           O  
-ATOM   7107  CB  THR E  57      79.474 115.289  -1.980  1.00 20.19           C  
-ATOM   7108  OG1 THR E  57      79.352 115.724  -0.618  1.00 22.73           O  
-ATOM   7109  CG2 THR E  57      78.731 116.308  -2.810  1.00 21.49           C  
-ATOM   7110  N   TRP E  58      76.712 113.623  -3.161  1.00 17.61           N  
-ATOM   7111  CA  TRP E  58      75.760 113.562  -4.264  1.00 17.64           C  
-ATOM   7112  C   TRP E  58      74.364 113.908  -3.791  1.00 17.62           C  
-ATOM   7113  O   TRP E  58      74.090 113.984  -2.607  1.00 17.75           O  
-ATOM   7114  CB  TRP E  58      75.769 112.191  -4.962  1.00 16.80           C  
-ATOM   7115  CG  TRP E  58      75.192 111.077  -4.126  1.00 16.65           C  
-ATOM   7116  CD1 TRP E  58      73.923 110.604  -4.157  1.00 16.81           C  
-ATOM   7117  CD2 TRP E  58      75.862 110.337  -3.108  1.00 15.41           C  
-ATOM   7118  NE1 TRP E  58      73.753 109.594  -3.237  1.00 15.92           N  
-ATOM   7119  CE2 TRP E  58      74.938 109.408  -2.581  1.00 14.47           C  
-ATOM   7120  CE3 TRP E  58      77.168 110.339  -2.606  1.00 14.42           C  
-ATOM   7121  CZ2 TRP E  58      75.260 108.530  -1.571  1.00 14.32           C  
-ATOM   7122  CZ3 TRP E  58      77.496 109.458  -1.606  1.00 14.51           C  
-ATOM   7123  CH2 TRP E  58      76.538 108.568  -1.081  1.00 15.56           C  
-ATOM   7124  N   SER E  59      73.464 114.060  -4.735  1.00 18.04           N  
-ATOM   7125  CA  SER E  59      72.099 114.371  -4.405  1.00 19.34           C  
-ATOM   7126  C   SER E  59      71.169 113.201  -4.754  1.00 18.96           C  
-ATOM   7127  O   SER E  59      71.313 112.583  -5.794  1.00 18.75           O  
-ATOM   7128  CB  SER E  59      71.706 115.639  -5.145  1.00 19.11           C  
-ATOM   7129  OG  SER E  59      70.366 115.535  -5.566  1.00 22.87           O  
-ATOM   7130  N   ASP E  60      70.232 112.911  -3.862  1.00 19.56           N  
-ATOM   7131  CA  ASP E  60      69.175 111.934  -4.103  1.00 19.80           C  
-ATOM   7132  C   ASP E  60      67.850 112.494  -3.621  1.00 19.53           C  
-ATOM   7133  O   ASP E  60      67.527 112.370  -2.452  1.00 19.11           O  
-ATOM   7134  CB  ASP E  60      69.490 110.628  -3.373  1.00 19.98           C  
-ATOM   7135  CG  ASP E  60      68.515 109.498  -3.723  1.00 22.35           C  
-ATOM   7136  OD1 ASP E  60      67.402 109.780  -4.243  1.00 22.08           O  
-ATOM   7137  OD2 ASP E  60      68.788 108.270  -3.525  1.00 24.72           O  
-ATOM   7138  N   ARG E  61      67.096 113.094  -4.533  1.00 19.48           N  
-ATOM   7139  CA  ARG E  61      65.842 113.749  -4.212  1.00 20.50           C  
-ATOM   7140  C   ARG E  61      64.774 112.815  -3.606  1.00 21.00           C  
-ATOM   7141  O   ARG E  61      63.924 113.300  -2.843  1.00 20.71           O  
-ATOM   7142  CB  ARG E  61      65.271 114.511  -5.420  1.00 21.38           C  
-ATOM   7143  CG  ARG E  61      66.083 115.735  -5.931  1.00 23.13           C  
-ATOM   7144  CD  ARG E  61      66.829 116.524  -4.854  1.00 28.56           C  
-ATOM   7145  NE  ARG E  61      68.058 117.138  -5.363  1.00 31.85           N  
-ATOM   7146  CZ  ARG E  61      68.393 118.420  -5.203  1.00 33.19           C  
-ATOM   7147  NH1 ARG E  61      67.591 119.249  -4.529  1.00 33.92           N  
-ATOM   7148  NH2 ARG E  61      69.526 118.878  -5.734  1.00 32.50           N  
-ATOM   7149  N   THR E  62      64.836 111.500  -3.883  1.00 20.75           N  
-ATOM   7150  CA  THR E  62      63.870 110.546  -3.290  1.00 21.19           C  
-ATOM   7151  C   THR E  62      64.033 110.456  -1.749  1.00 20.79           C  
-ATOM   7152  O   THR E  62      63.201 109.860  -1.043  1.00 20.79           O  
-ATOM   7153  CB  THR E  62      63.968 109.093  -3.919  1.00 21.43           C  
-ATOM   7154  OG1 THR E  62      65.215 108.490  -3.546  1.00 22.59           O  
-ATOM   7155  CG2 THR E  62      63.992 109.092  -5.488  1.00 22.13           C  
-ATOM   7156  N   LEU E  63      65.115 111.016  -1.224  1.00 20.00           N  
-ATOM   7157  CA  LEU E  63      65.329 110.983   0.213  1.00 19.77           C  
-ATOM   7158  C   LEU E  63      64.761 112.215   0.905  1.00 19.83           C  
-ATOM   7159  O   LEU E  63      64.626 112.228   2.145  1.00 19.96           O  
-ATOM   7160  CB  LEU E  63      66.802 110.860   0.541  1.00 19.42           C  
-ATOM   7161  CG  LEU E  63      67.610 109.707  -0.056  1.00 20.56           C  
-ATOM   7162  CD1 LEU E  63      69.075 109.897   0.298  1.00 18.86           C  
-ATOM   7163  CD2 LEU E  63      67.089 108.390   0.448  1.00 19.57           C  
-ATOM   7164  N   ALA E  64      64.442 113.237   0.113  1.00 19.12           N  
-ATOM   7165  CA  ALA E  64      64.018 114.531   0.637  1.00 18.98           C  
-ATOM   7166  C   ALA E  64      62.775 114.471   1.503  1.00 19.10           C  
-ATOM   7167  O   ALA E  64      61.881 113.631   1.299  1.00 19.16           O  
-ATOM   7168  CB  ALA E  64      63.799 115.559  -0.516  1.00 18.99           C  
-ATOM   7169  N   TRP E  65      62.722 115.374   2.473  1.00 18.71           N  
-ATOM   7170  CA  TRP E  65      61.544 115.521   3.312  1.00 18.79           C  
-ATOM   7171  C   TRP E  65      61.397 116.978   3.700  1.00 19.21           C  
-ATOM   7172  O   TRP E  65      62.383 117.718   3.703  1.00 18.96           O  
-ATOM   7173  CB  TRP E  65      61.639 114.641   4.567  1.00 18.00           C  
-ATOM   7174  CG  TRP E  65      62.671 115.077   5.556  1.00 16.51           C  
-ATOM   7175  CD1 TRP E  65      62.491 115.952   6.609  1.00 15.26           C  
-ATOM   7176  CD2 TRP E  65      64.040 114.669   5.610  1.00 14.26           C  
-ATOM   7177  NE1 TRP E  65      63.661 116.086   7.312  1.00 13.68           N  
-ATOM   7178  CE2 TRP E  65      64.629 115.314   6.718  1.00 13.09           C  
-ATOM   7179  CE3 TRP E  65      64.835 113.793   4.846  1.00 13.16           C  
-ATOM   7180  CZ2 TRP E  65      65.972 115.133   7.062  1.00 12.01           C  
-ATOM   7181  CZ3 TRP E  65      66.166 113.616   5.185  1.00 12.45           C  
-ATOM   7182  CH2 TRP E  65      66.718 114.271   6.296  1.00 12.42           C  
-ATOM   7183  N   ASN E  66      60.167 117.364   4.028  1.00 19.87           N  
-ATOM   7184  CA  ASN E  66      59.839 118.720   4.461  1.00 20.79           C  
-ATOM   7185  C   ASN E  66      60.323 118.956   5.895  1.00 20.81           C  
-ATOM   7186  O   ASN E  66      59.786 118.384   6.844  1.00 21.00           O  
-ATOM   7187  CB  ASN E  66      58.320 118.945   4.347  1.00 21.28           C  
-ATOM   7188  CG  ASN E  66      57.916 120.385   4.573  1.00 22.76           C  
-ATOM   7189  OD1 ASN E  66      58.591 121.120   5.279  1.00 23.18           O  
-ATOM   7190  ND2 ASN E  66      56.786 120.792   3.978  1.00 25.33           N  
-ATOM   7191  N   SER E  67      61.332 119.805   6.047  1.00 20.61           N  
-ATOM   7192  CA  SER E  67      61.916 120.064   7.344  1.00 20.72           C  
-ATOM   7193  C   SER E  67      61.657 121.496   7.793  1.00 21.38           C  
-ATOM   7194  O   SER E  67      62.512 122.129   8.431  1.00 20.85           O  
-ATOM   7195  CB  SER E  67      63.415 119.789   7.324  1.00 21.19           C  
-ATOM   7196  OG  SER E  67      64.096 120.771   6.565  1.00 21.45           O  
-ATOM   7197  N   SER E  68      60.477 122.011   7.460  1.00 21.21           N  
-ATOM   7198  CA  SER E  68      60.070 123.294   8.001  1.00 21.92           C  
-ATOM   7199  C   SER E  68      59.991 123.241   9.546  1.00 21.97           C  
-ATOM   7200  O   SER E  68      60.429 124.189  10.216  1.00 21.64           O  
-ATOM   7201  CB  SER E  68      58.766 123.794   7.351  1.00 21.70           C  
-ATOM   7202  OG  SER E  68      57.690 122.898   7.578  1.00 22.10           O  
-ATOM   7203  N   HIS E  69      59.482 122.121  10.085  1.00 21.92           N  
-ATOM   7204  CA  HIS E  69      59.315 121.916  11.532  1.00 22.29           C  
-ATOM   7205  C   HIS E  69      59.914 120.598  12.030  1.00 22.43           C  
-ATOM   7206  O   HIS E  69      59.393 119.992  12.972  1.00 22.68           O  
-ATOM   7207  CB  HIS E  69      57.837 121.975  11.913  1.00 22.15           C  
-ATOM   7208  CG  HIS E  69      57.178 123.262  11.533  1.00 23.53           C  
-ATOM   7209  ND1 HIS E  69      57.603 124.485  12.008  1.00 23.05           N  
-ATOM   7210  CD2 HIS E  69      56.146 123.519  10.696  1.00 24.58           C  
-ATOM   7211  CE1 HIS E  69      56.859 125.438  11.481  1.00 24.71           C  
-ATOM   7212  NE2 HIS E  69      55.963 124.879  10.687  1.00 25.10           N  
-ATOM   7213  N   SER E  70      61.005 120.172  11.392  1.00 22.42           N  
-ATOM   7214  CA  SER E  70      61.642 118.881  11.646  1.00 21.98           C  
-ATOM   7215  C   SER E  70      63.161 119.044  11.592  1.00 21.71           C  
-ATOM   7216  O   SER E  70      63.654 120.036  11.039  1.00 21.47           O  
-ATOM   7217  CB  SER E  70      61.209 117.864  10.589  1.00 21.83           C  
-ATOM   7218  OG  SER E  70      59.827 117.655  10.619  1.00 22.17           O  
-ATOM   7219  N   PRO E  71      63.905 118.098  12.173  1.00 21.49           N  
-ATOM   7220  CA  PRO E  71      65.360 118.033  11.966  1.00 21.24           C  
-ATOM   7221  C   PRO E  71      65.669 118.029  10.482  1.00 20.90           C  
-ATOM   7222  O   PRO E  71      64.965 117.360   9.699  1.00 20.64           O  
-ATOM   7223  CB  PRO E  71      65.744 116.689  12.581  1.00 20.97           C  
-ATOM   7224  CG  PRO E  71      64.735 116.464  13.639  1.00 21.53           C  
-ATOM   7225  CD  PRO E  71      63.437 117.051  13.107  1.00 21.74           C  
-ATOM   7226  N   ASP E  72      66.693 118.760  10.078  1.00 20.58           N  
-ATOM   7227  CA  ASP E  72      66.989 118.852   8.664  1.00 21.28           C  
-ATOM   7228  C   ASP E  72      68.141 117.944   8.181  1.00 20.15           C  
-ATOM   7229  O   ASP E  72      68.489 117.968   7.014  1.00 19.83           O  
-ATOM   7230  CB  ASP E  72      67.168 120.309   8.255  1.00 22.73           C  
-ATOM   7231  CG  ASP E  72      68.532 120.817   8.548  1.00 26.45           C  
-ATOM   7232  OD1 ASP E  72      69.012 120.600   9.691  1.00 30.17           O  
-ATOM   7233  OD2 ASP E  72      69.205 121.429   7.681  1.00 31.79           O  
-ATOM   7234  N   GLN E  73      68.698 117.141   9.090  1.00 18.63           N  
-ATOM   7235  CA  GLN E  73      69.768 116.200   8.763  1.00 17.81           C  
-ATOM   7236  C   GLN E  73      69.664 114.960   9.624  1.00 16.49           C  
-ATOM   7237  O   GLN E  73      69.311 115.057  10.797  1.00 15.94           O  
-ATOM   7238  CB  GLN E  73      71.135 116.817   9.008  1.00 17.70           C  
-ATOM   7239  CG  GLN E  73      71.603 117.746   7.939  1.00 20.53           C  
-ATOM   7240  CD  GLN E  73      73.083 118.103   8.070  1.00 22.58           C  
-ATOM   7241  OE1 GLN E  73      73.941 117.225   8.263  1.00 24.17           O  
-ATOM   7242  NE2 GLN E  73      73.385 119.397   7.951  1.00 20.38           N  
-ATOM   7243  N   VAL E  74      69.970 113.802   9.048  1.00 15.20           N  
-ATOM   7244  CA  VAL E  74      70.093 112.548   9.819  1.00 14.48           C  
-ATOM   7245  C   VAL E  74      71.287 111.693   9.362  1.00 14.78           C  
-ATOM   7246  O   VAL E  74      71.759 111.822   8.222  1.00 14.01           O  
-ATOM   7247  CB  VAL E  74      68.815 111.685   9.740  1.00 14.58           C  
-ATOM   7248  CG1 VAL E  74      67.646 112.347  10.493  1.00 13.83           C  
-ATOM   7249  CG2 VAL E  74      68.466 111.392   8.296  1.00 12.54           C  
-ATOM   7250  N   SER E  75      71.775 110.836  10.258  1.00 14.58           N  
-ATOM   7251  CA  SER E  75      72.758 109.817   9.889  1.00 15.29           C  
-ATOM   7252  C   SER E  75      72.064 108.523   9.466  1.00 15.56           C  
-ATOM   7253  O   SER E  75      71.232 108.014  10.184  1.00 16.14           O  
-ATOM   7254  CB  SER E  75      73.718 109.513  11.046  1.00 15.05           C  
-ATOM   7255  OG  SER E  75      74.429 110.653  11.449  1.00 14.68           O  
-ATOM   7256  N   VAL E  76      72.430 107.988   8.308  1.00 15.78           N  
-ATOM   7257  CA  VAL E  76      71.747 106.828   7.753  1.00 15.87           C  
-ATOM   7258  C   VAL E  76      72.735 105.724   7.402  1.00 16.37           C  
-ATOM   7259  O   VAL E  76      73.726 105.979   6.724  1.00 16.03           O  
-ATOM   7260  CB  VAL E  76      70.945 107.212   6.457  1.00 16.27           C  
-ATOM   7261  CG1 VAL E  76      70.069 106.019   5.994  1.00 14.75           C  
-ATOM   7262  CG2 VAL E  76      70.081 108.443   6.688  1.00 14.84           C  
-ATOM   7263  N   PRO E  77      72.485 104.485   7.829  1.00 17.32           N  
-ATOM   7264  CA  PRO E  77      73.336 103.362   7.394  1.00 16.99           C  
-ATOM   7265  C   PRO E  77      73.363 103.310   5.875  1.00 17.44           C  
-ATOM   7266  O   PRO E  77      72.283 103.400   5.287  1.00 17.23           O  
-ATOM   7267  CB  PRO E  77      72.624 102.112   7.938  1.00 17.33           C  
-ATOM   7268  CG  PRO E  77      71.592 102.584   8.945  1.00 17.64           C  
-ATOM   7269  CD  PRO E  77      71.375 104.060   8.720  1.00 17.21           C  
-ATOM   7270  N   ILE E  78      74.545 103.197   5.247  1.00 17.85           N  
-ATOM   7271  CA  ILE E  78      74.611 103.205   3.785  1.00 19.25           C  
-ATOM   7272  C   ILE E  78      73.868 102.044   3.122  1.00 19.83           C  
-ATOM   7273  O   ILE E  78      73.574 102.134   1.939  1.00 20.17           O  
-ATOM   7274  CB  ILE E  78      76.069 103.282   3.254  1.00 19.87           C  
-ATOM   7275  CG1 ILE E  78      76.873 102.036   3.640  1.00 20.13           C  
-ATOM   7276  CG2 ILE E  78      76.725 104.600   3.705  1.00 18.63           C  
-ATOM   7277  CD1 ILE E  78      78.108 101.853   2.757  1.00 23.52           C  
-ATOM   7278  N   SER E  79      73.560 100.991   3.890  1.00 19.84           N  
-ATOM   7279  CA  SER E  79      72.744  99.875   3.419  1.00 21.39           C  
-ATOM   7280  C   SER E  79      71.327 100.301   3.118  1.00 20.88           C  
-ATOM   7281  O   SER E  79      70.623  99.634   2.383  1.00 20.97           O  
-ATOM   7282  CB  SER E  79      72.767  98.699   4.415  1.00 21.96           C  
-ATOM   7283  OG  SER E  79      71.965  98.976   5.568  1.00 24.51           O  
-ATOM   7284  N   SER E  80      70.916 101.431   3.666  1.00 20.51           N  
-ATOM   7285  CA  SER E  80      69.605 101.961   3.350  1.00 20.90           C  
-ATOM   7286  C   SER E  80      69.635 102.986   2.216  1.00 20.41           C  
-ATOM   7287  O   SER E  80      68.600 103.530   1.860  1.00 20.94           O  
-ATOM   7288  CB  SER E  80      68.982 102.561   4.609  1.00 20.80           C  
-ATOM   7289  OG  SER E  80      68.634 101.505   5.495  1.00 24.00           O  
-ATOM   7290  N   LEU E  81      70.811 103.244   1.653  1.00 19.31           N  
-ATOM   7291  CA  LEU E  81      70.914 104.308   0.646  1.00 19.81           C  
-ATOM   7292  C   LEU E  81      71.515 103.789  -0.643  1.00 18.66           C  
-ATOM   7293  O   LEU E  81      72.345 102.879  -0.589  1.00 18.09           O  
-ATOM   7294  CB  LEU E  81      71.856 105.427   1.144  1.00 20.16           C  
-ATOM   7295  CG  LEU E  81      71.496 106.259   2.355  1.00 21.63           C  
-ATOM   7296  CD1 LEU E  81      72.472 107.374   2.559  1.00 22.48           C  
-ATOM   7297  CD2 LEU E  81      70.140 106.841   2.115  1.00 24.51           C  
-ATOM   7298  N   TRP E  82      71.170 104.387  -1.783  1.00 17.64           N  
-ATOM   7299  CA  TRP E  82      72.005 104.181  -2.973  1.00 17.44           C  
-ATOM   7300  C   TRP E  82      73.292 104.929  -2.745  1.00 17.72           C  
-ATOM   7301  O   TRP E  82      73.289 106.063  -2.268  1.00 17.52           O  
-ATOM   7302  CB  TRP E  82      71.344 104.652  -4.277  1.00 16.75           C  
-ATOM   7303  CG  TRP E  82      72.270 104.545  -5.480  1.00 17.12           C  
-ATOM   7304  CD1 TRP E  82      72.450 103.451  -6.283  1.00 16.08           C  
-ATOM   7305  CD2 TRP E  82      73.171 105.558  -5.989  1.00 15.79           C  
-ATOM   7306  NE1 TRP E  82      73.378 103.728  -7.255  1.00 16.55           N  
-ATOM   7307  CE2 TRP E  82      73.835 105.013  -7.098  1.00 16.97           C  
-ATOM   7308  CE3 TRP E  82      73.504 106.854  -5.588  1.00 15.67           C  
-ATOM   7309  CZ2 TRP E  82      74.786 105.734  -7.845  1.00 15.24           C  
-ATOM   7310  CZ3 TRP E  82      74.449 107.595  -6.361  1.00 15.62           C  
-ATOM   7311  CH2 TRP E  82      75.061 107.020  -7.471  1.00 15.75           C  
-ATOM   7312  N   VAL E  83      74.396 104.273  -3.070  1.00 18.04           N  
-ATOM   7313  CA  VAL E  83      75.727 104.863  -2.927  1.00 18.56           C  
-ATOM   7314  C   VAL E  83      76.440 104.647  -4.260  1.00 18.36           C  
-ATOM   7315  O   VAL E  83      76.268 103.583  -4.871  1.00 18.58           O  
-ATOM   7316  CB  VAL E  83      76.461 104.177  -1.736  1.00 19.10           C  
-ATOM   7317  CG1 VAL E  83      77.949 104.417  -1.767  1.00 20.94           C  
-ATOM   7318  CG2 VAL E  83      75.889 104.650  -0.419  1.00 19.09           C  
-ATOM   7319  N   PRO E  84      77.196 105.625  -4.746  1.00 18.75           N  
-ATOM   7320  CA  PRO E  84      77.903 105.469  -6.025  1.00 18.67           C  
-ATOM   7321  C   PRO E  84      78.908 104.315  -5.972  1.00 18.09           C  
-ATOM   7322  O   PRO E  84      79.609 104.166  -4.973  1.00 17.47           O  
-ATOM   7323  CB  PRO E  84      78.680 106.785  -6.183  1.00 18.39           C  
-ATOM   7324  CG  PRO E  84      78.329 107.626  -5.085  1.00 19.13           C  
-ATOM   7325  CD  PRO E  84      77.419 106.955  -4.147  1.00 18.69           C  
-ATOM   7326  N   ASP E  85      78.991 103.555  -7.062  1.00 17.65           N  
-ATOM   7327  CA  ASP E  85      79.839 102.367  -7.138  1.00 17.59           C  
-ATOM   7328  C   ASP E  85      81.269 102.747  -7.531  1.00 17.51           C  
-ATOM   7329  O   ASP E  85      81.793 102.232  -8.520  1.00 17.14           O  
-ATOM   7330  CB  ASP E  85      79.272 101.348  -8.142  1.00 16.97           C  
-ATOM   7331  CG  ASP E  85      79.202 101.885  -9.555  1.00 19.08           C  
-ATOM   7332  OD1 ASP E  85      79.031 103.126  -9.731  1.00 18.61           O  
-ATOM   7333  OD2 ASP E  85      79.297 101.154 -10.578  1.00 19.95           O  
-ATOM   7334  N   LEU E  86      81.889 103.638  -6.750  1.00 17.12           N  
-ATOM   7335  CA  LEU E  86      83.251 104.091  -7.002  1.00 16.93           C  
-ATOM   7336  C   LEU E  86      84.290 103.027  -6.697  1.00 17.32           C  
-ATOM   7337  O   LEU E  86      84.168 102.280  -5.720  1.00 17.65           O  
-ATOM   7338  CB  LEU E  86      83.558 105.357  -6.189  1.00 16.89           C  
-ATOM   7339  CG  LEU E  86      82.594 106.521  -6.431  1.00 16.92           C  
-ATOM   7340  CD1 LEU E  86      82.969 107.696  -5.517  1.00 17.78           C  
-ATOM   7341  CD2 LEU E  86      82.617 106.912  -7.881  1.00 15.23           C  
-ATOM   7342  N   ALA E  87      85.329 102.999  -7.521  1.00 17.08           N  
-ATOM   7343  CA  ALA E  87      86.467 102.109  -7.312  1.00 17.34           C  
-ATOM   7344  C   ALA E  87      87.751 102.815  -7.686  1.00 17.26           C  
-ATOM   7345  O   ALA E  87      87.761 103.641  -8.600  1.00 16.98           O  
-ATOM   7346  CB  ALA E  87      86.296 100.792  -8.169  1.00 16.86           C  
-ATOM   7347  N   ALA E  88      88.828 102.512  -6.962  1.00 17.14           N  
-ATOM   7348  CA  ALA E  88      90.138 102.984  -7.349  1.00 17.44           C  
-ATOM   7349  C   ALA E  88      90.707 101.983  -8.333  1.00 17.34           C  
-ATOM   7350  O   ALA E  88      90.843 100.816  -7.986  1.00 17.48           O  
-ATOM   7351  CB  ALA E  88      91.051 103.154  -6.143  1.00 17.49           C  
-ATOM   7352  N   TYR E  89      90.990 102.434  -9.556  1.00 16.81           N  
-ATOM   7353  CA  TYR E  89      91.440 101.572 -10.656  1.00 17.12           C  
-ATOM   7354  C   TYR E  89      92.824 100.977 -10.425  1.00 17.07           C  
-ATOM   7355  O   TYR E  89      93.109  99.891 -10.942  1.00 17.32           O  
-ATOM   7356  CB  TYR E  89      91.483 102.354 -11.979  1.00 17.41           C  
-ATOM   7357  CG  TYR E  89      90.144 102.504 -12.683  1.00 18.27           C  
-ATOM   7358  CD1 TYR E  89      89.101 103.225 -12.097  1.00 18.96           C  
-ATOM   7359  CD2 TYR E  89      89.929 101.930 -13.948  1.00 18.79           C  
-ATOM   7360  CE1 TYR E  89      87.888 103.373 -12.735  1.00 21.53           C  
-ATOM   7361  CE2 TYR E  89      88.720 102.070 -14.591  1.00 19.56           C  
-ATOM   7362  CZ  TYR E  89      87.701 102.792 -13.987  1.00 22.37           C  
-ATOM   7363  OH  TYR E  89      86.492 102.935 -14.627  1.00 24.32           O  
-ATOM   7364  N   ASN E  90      93.679 101.678  -9.665  1.00 15.95           N  
-ATOM   7365  CA  ASN E  90      95.029 101.171  -9.381  1.00 15.75           C  
-ATOM   7366  C   ASN E  90      95.202 100.630  -7.945  1.00 15.56           C  
-ATOM   7367  O   ASN E  90      96.318 100.407  -7.467  1.00 14.89           O  
-ATOM   7368  CB  ASN E  90      96.106 102.173  -9.761  1.00 15.26           C  
-ATOM   7369  CG  ASN E  90      95.952 103.510  -9.036  1.00 16.37           C  
-ATOM   7370  OD1 ASN E  90      94.841 104.010  -8.821  1.00 16.79           O  
-ATOM   7371  ND2 ASN E  90      97.064 104.077  -8.646  1.00 14.70           N  
-ATOM   7372  N   ALA E  91      94.078 100.367  -7.287  1.00 15.08           N  
-ATOM   7373  CA  ALA E  91      94.108  99.703  -5.985  1.00 15.54           C  
-ATOM   7374  C   ALA E  91      94.484  98.236  -6.174  1.00 15.35           C  
-ATOM   7375  O   ALA E  91      94.050  97.601  -7.134  1.00 14.58           O  
-ATOM   7376  CB  ALA E  91      92.748  99.820  -5.292  1.00 15.25           C  
-ATOM   7377  N   ILE E  92      95.303  97.729  -5.264  1.00 15.60           N  
-ATOM   7378  CA  ILE E  92      95.753  96.335  -5.313  1.00 16.24           C  
-ATOM   7379  C   ILE E  92      95.288  95.605  -4.049  1.00 17.14           C  
-ATOM   7380  O   ILE E  92      95.665  94.463  -3.815  1.00 17.31           O  
-ATOM   7381  CB  ILE E  92      97.307  96.240  -5.521  1.00 16.64           C  
-ATOM   7382  CG1 ILE E  92      98.060  96.964  -4.390  1.00 16.27           C  
-ATOM   7383  CG2 ILE E  92      97.692  96.748  -6.915  1.00 15.39           C  
-ATOM   7384  CD1 ILE E  92      99.562  96.764  -4.387  1.00 16.18           C  
-ATOM   7385  N   SER E  93      94.497  96.285  -3.210  1.00 17.58           N  
-ATOM   7386  CA  SER E  93      93.783  95.645  -2.101  1.00 18.77           C  
-ATOM   7387  C   SER E  93      92.322  96.163  -2.091  1.00 19.54           C  
-ATOM   7388  O   SER E  93      92.049  97.270  -2.616  1.00 18.95           O  
-ATOM   7389  CB  SER E  93      94.473  95.942  -0.755  1.00 18.84           C  
-ATOM   7390  OG  SER E  93      94.163  97.271  -0.305  1.00 18.98           O  
-ATOM   7391  N   LYS E  94      91.368  95.381  -1.548  1.00 19.93           N  
-ATOM   7392  CA  LYS E  94      89.989  95.881  -1.396  1.00 21.06           C  
-ATOM   7393  C   LYS E  94      90.021  96.971  -0.340  1.00 20.94           C  
-ATOM   7394  O   LYS E  94      90.813  96.862   0.587  1.00 21.02           O  
-ATOM   7395  CB  LYS E  94      88.942  94.812  -0.943  1.00 22.30           C  
-ATOM   7396  CG  LYS E  94      89.142  93.359  -1.387  1.00 24.07           C  
-ATOM   7397  CD  LYS E  94      88.883  92.351  -0.220  1.00 30.33           C  
-ATOM   7398  CE  LYS E  94      90.187  92.001   0.576  1.00 32.48           C  
-ATOM   7399  NZ  LYS E  94      90.016  91.745   2.062  1.00 32.38           N  
-ATOM   7400  N   PRO E  95      89.171  98.002  -0.466  1.00 20.66           N  
-ATOM   7401  CA  PRO E  95      89.152  99.110   0.502  1.00 20.29           C  
-ATOM   7402  C   PRO E  95      88.841  98.674   1.925  1.00 20.94           C  
-ATOM   7403  O   PRO E  95      87.800  98.081   2.151  1.00 22.18           O  
-ATOM   7404  CB  PRO E  95      88.034 100.038  -0.022  1.00 19.81           C  
-ATOM   7405  CG  PRO E  95      87.248  99.263  -0.989  1.00 19.65           C  
-ATOM   7406  CD  PRO E  95      88.161  98.176  -1.531  1.00 20.45           C  
-ATOM   7407  N   GLU E  96      89.715  98.942   2.870  1.00 22.10           N  
-ATOM   7408  CA  GLU E  96      89.420  98.628   4.270  1.00 23.05           C  
-ATOM   7409  C   GLU E  96      88.771  99.890   4.875  1.00 22.04           C  
-ATOM   7410  O   GLU E  96      89.445 100.897   5.059  1.00 21.47           O  
-ATOM   7411  CB  GLU E  96      90.722  98.244   5.013  1.00 23.57           C  
-ATOM   7412  CG  GLU E  96      90.580  97.608   6.397  1.00 28.31           C  
-ATOM   7413  CD  GLU E  96      91.939  97.298   7.021  1.00 35.03           C  
-ATOM   7414  OE1 GLU E  96      92.898  97.018   6.244  1.00 38.32           O  
-ATOM   7415  OE2 GLU E  96      92.075  97.317   8.278  1.00 38.25           O  
-ATOM   7416  N   VAL E  97      87.462  99.825   5.143  1.00 21.17           N  
-ATOM   7417  CA  VAL E  97      86.721 100.935   5.768  1.00 19.90           C  
-ATOM   7418  C   VAL E  97      86.921 100.923   7.267  1.00 19.69           C  
-ATOM   7419  O   VAL E  97      86.569  99.960   7.930  1.00 19.20           O  
-ATOM   7420  CB  VAL E  97      85.218 100.864   5.450  1.00 20.40           C  
-ATOM   7421  CG1 VAL E  97      84.507 102.038   6.070  1.00 19.28           C  
-ATOM   7422  CG2 VAL E  97      84.968 100.830   3.895  1.00 19.25           C  
-ATOM   7423  N   LEU E  98      87.480 102.006   7.802  1.00 19.19           N  
-ATOM   7424  CA  LEU E  98      87.843 102.056   9.220  1.00 19.26           C  
-ATOM   7425  C   LEU E  98      86.769 102.649  10.112  1.00 18.95           C  
-ATOM   7426  O   LEU E  98      86.824 102.513  11.328  1.00 19.47           O  
-ATOM   7427  CB  LEU E  98      89.154 102.819   9.406  1.00 19.39           C  
-ATOM   7428  CG  LEU E  98      90.338 102.361   8.513  1.00 20.20           C  
-ATOM   7429  CD1 LEU E  98      91.523 103.306   8.683  1.00 19.43           C  
-ATOM   7430  CD2 LEU E  98      90.768 100.957   8.813  1.00 20.21           C  
-ATOM   7431  N   THR E  99      85.778 103.287   9.512  1.00 18.40           N  
-ATOM   7432  CA  THR E  99      84.812 104.040  10.283  1.00 18.15           C  
-ATOM   7433  C   THR E  99      83.406 103.467  10.195  1.00 18.30           C  
-ATOM   7434  O   THR E  99      83.147 102.708   9.293  1.00 18.48           O  
-ATOM   7435  CB  THR E  99      84.812 105.533   9.816  1.00 18.19           C  
-ATOM   7436  OG1 THR E  99      84.941 105.628   8.388  1.00 16.49           O  
-ATOM   7437  CG2 THR E  99      86.052 106.245  10.352  1.00 16.98           C  
-ATOM   7438  N   PRO E 100      82.499 103.836  11.117  1.00 18.85           N  
-ATOM   7439  CA  PRO E 100      81.079 103.439  11.004  1.00 18.55           C  
-ATOM   7440  C   PRO E 100      80.510 103.775   9.638  1.00 18.99           C  
-ATOM   7441  O   PRO E 100      80.746 104.866   9.139  1.00 18.85           O  
-ATOM   7442  CB  PRO E 100      80.403 104.248  12.105  1.00 18.60           C  
-ATOM   7443  CG  PRO E 100      81.494 104.462  13.126  1.00 19.26           C  
-ATOM   7444  CD  PRO E 100      82.750 104.622  12.339  1.00 18.12           C  
-ATOM   7445  N   GLN E 101      79.802 102.840   9.013  1.00 19.17           N  
-ATOM   7446  CA  GLN E 101      79.339 103.060   7.632  1.00 19.69           C  
-ATOM   7447  C   GLN E 101      77.995 103.817   7.559  1.00 19.34           C  
-ATOM   7448  O   GLN E 101      76.955 103.252   7.171  1.00 19.46           O  
-ATOM   7449  CB  GLN E 101      79.318 101.730   6.871  1.00 20.11           C  
-ATOM   7450  CG  GLN E 101      80.746 101.217   6.588  1.00 23.85           C  
-ATOM   7451  CD  GLN E 101      80.799  99.787   6.027  1.00 28.90           C  
-ATOM   7452  OE1 GLN E 101      80.127  99.467   5.031  1.00 31.68           O  
-ATOM   7453  NE2 GLN E 101      81.614  98.935   6.649  1.00 29.03           N  
-ATOM   7454  N   LEU E 102      78.035 105.091   7.955  1.00 18.55           N  
-ATOM   7455  CA  LEU E 102      76.858 105.957   8.005  1.00 17.97           C  
-ATOM   7456  C   LEU E 102      77.100 107.164   7.122  1.00 17.53           C  
-ATOM   7457  O   LEU E 102      78.226 107.680   7.049  1.00 16.56           O  
-ATOM   7458  CB  LEU E 102      76.609 106.447   9.434  1.00 18.11           C  
-ATOM   7459  CG  LEU E 102      76.447 105.409  10.559  1.00 20.59           C  
-ATOM   7460  CD1 LEU E 102      76.339 106.100  11.934  1.00 21.69           C  
-ATOM   7461  CD2 LEU E 102      75.215 104.556  10.338  1.00 20.43           C  
-ATOM   7462  N   ALA E 103      76.053 107.608   6.436  1.00 16.78           N  
-ATOM   7463  CA  ALA E 103      76.149 108.804   5.607  1.00 16.65           C  
-ATOM   7464  C   ALA E 103      75.266 109.840   6.297  1.00 17.12           C  
-ATOM   7465  O   ALA E 103      74.345 109.505   7.057  1.00 17.53           O  
-ATOM   7466  CB  ALA E 103      75.650 108.538   4.181  1.00 16.33           C  
-ATOM   7467  N   ARG E 104      75.549 111.100   6.010  1.00 16.64           N  
-ATOM   7468  CA  ARG E 104      74.757 112.190   6.520  1.00 16.50           C  
-ATOM   7469  C   ARG E 104      73.828 112.637   5.408  1.00 16.06           C  
-ATOM   7470  O   ARG E 104      74.278 112.837   4.293  1.00 16.65           O  
-ATOM   7471  CB  ARG E 104      75.708 113.275   6.971  1.00 16.59           C  
-ATOM   7472  CG  ARG E 104      75.131 114.248   7.898  1.00 18.09           C  
-ATOM   7473  CD  ARG E 104      74.885 113.753   9.295  1.00 18.01           C  
-ATOM   7474  NE  ARG E 104      74.223 114.841   9.999  1.00 16.48           N  
-ATOM   7475  CZ  ARG E 104      73.674 114.762  11.179  1.00 17.52           C  
-ATOM   7476  NH1 ARG E 104      73.678 113.612  11.867  1.00 13.84           N  
-ATOM   7477  NH2 ARG E 104      73.113 115.869  11.683  1.00 15.16           N  
-ATOM   7478  N   VAL E 105      72.525 112.705   5.674  1.00 15.49           N  
-ATOM   7479  CA  VAL E 105      71.541 112.999   4.635  1.00 14.84           C  
-ATOM   7480  C   VAL E 105      70.802 114.292   5.042  1.00 15.21           C  
-ATOM   7481  O   VAL E 105      70.214 114.370   6.132  1.00 14.97           O  
-ATOM   7482  CB  VAL E 105      70.529 111.826   4.457  1.00 15.08           C  
-ATOM   7483  CG1 VAL E 105      69.391 112.177   3.496  1.00 14.51           C  
-ATOM   7484  CG2 VAL E 105      71.230 110.541   3.997  1.00 14.80           C  
-ATOM   7485  N   VAL E 106      70.839 115.301   4.172  1.00 14.84           N  
-ATOM   7486  CA  VAL E 106      70.129 116.567   4.417  1.00 14.81           C  
-ATOM   7487  C   VAL E 106      68.704 116.459   3.867  1.00 14.78           C  
-ATOM   7488  O   VAL E 106      68.475 115.714   2.911  1.00 14.70           O  
-ATOM   7489  CB  VAL E 106      70.896 117.769   3.792  1.00 15.21           C  
-ATOM   7490  CG1 VAL E 106      70.306 119.139   4.252  1.00 13.58           C  
-ATOM   7491  CG2 VAL E 106      72.400 117.689   4.138  1.00 15.61           C  
-ATOM   7492  N   SER E 107      67.755 117.196   4.450  1.00 15.01           N  
-ATOM   7493  CA  SER E 107      66.352 117.157   4.025  1.00 15.61           C  
-ATOM   7494  C   SER E 107      66.080 117.463   2.547  1.00 16.08           C  
-ATOM   7495  O   SER E 107      65.005 117.135   2.037  1.00 15.53           O  
-ATOM   7496  CB  SER E 107      65.489 118.073   4.899  1.00 15.37           C  
-ATOM   7497  OG  SER E 107      65.695 119.439   4.573  1.00 15.53           O  
-ATOM   7498  N   ASP E 108      67.007 118.135   1.868  1.00 16.86           N  
-ATOM   7499  CA  ASP E 108      66.804 118.410   0.444  1.00 18.13           C  
-ATOM   7500  C   ASP E 108      67.291 117.247  -0.428  1.00 17.88           C  
-ATOM   7501  O   ASP E 108      67.152 117.299  -1.632  1.00 18.11           O  
-ATOM   7502  CB  ASP E 108      67.435 119.749   0.010  1.00 18.49           C  
-ATOM   7503  CG  ASP E 108      68.953 119.776   0.192  1.00 21.53           C  
-ATOM   7504  OD1 ASP E 108      69.563 118.740   0.582  1.00 23.43           O  
-ATOM   7505  OD2 ASP E 108      69.629 120.804  -0.012  1.00 24.83           O  
-ATOM   7506  N   GLY E 109      67.855 116.212   0.189  1.00 17.75           N  
-ATOM   7507  CA  GLY E 109      68.326 115.055  -0.531  1.00 17.73           C  
-ATOM   7508  C   GLY E 109      69.827 115.017  -0.742  1.00 18.17           C  
-ATOM   7509  O   GLY E 109      70.332 114.079  -1.390  1.00 18.40           O  
-ATOM   7510  N   GLU E 110      70.552 115.997  -0.209  1.00 17.87           N  
-ATOM   7511  CA  GLU E 110      72.009 115.981  -0.334  1.00 18.78           C  
-ATOM   7512  C   GLU E 110      72.588 114.942   0.603  1.00 17.74           C  
-ATOM   7513  O   GLU E 110      72.166 114.832   1.753  1.00 17.38           O  
-ATOM   7514  CB  GLU E 110      72.619 117.344   0.007  1.00 19.17           C  
-ATOM   7515  CG  GLU E 110      72.408 118.452  -1.014  1.00 24.42           C  
-ATOM   7516  CD  GLU E 110      72.852 118.080  -2.425  1.00 31.27           C  
-ATOM   7517  OE1 GLU E 110      74.047 117.683  -2.642  1.00 33.75           O  
-ATOM   7518  OE2 GLU E 110      71.988 118.183  -3.334  1.00 34.35           O  
-ATOM   7519  N   VAL E 111      73.579 114.208   0.119  1.00 17.04           N  
-ATOM   7520  CA  VAL E 111      74.171 113.150   0.913  1.00 16.49           C  
-ATOM   7521  C   VAL E 111      75.677 113.412   1.021  1.00 16.72           C  
-ATOM   7522  O   VAL E 111      76.318 113.754   0.049  1.00 16.06           O  
-ATOM   7523  CB  VAL E 111      73.913 111.752   0.297  1.00 16.43           C  
-ATOM   7524  CG1 VAL E 111      74.455 110.607   1.223  1.00 15.91           C  
-ATOM   7525  CG2 VAL E 111      72.473 111.550  -0.038  1.00 14.71           C  
-ATOM   7526  N   LEU E 112      76.225 113.230   2.214  1.00 16.68           N  
-ATOM   7527  CA  LEU E 112      77.666 113.189   2.408  1.00 16.89           C  
-ATOM   7528  C   LEU E 112      78.046 111.835   3.009  1.00 16.93           C  
-ATOM   7529  O   LEU E 112      77.629 111.515   4.109  1.00 15.80           O  
-ATOM   7530  CB  LEU E 112      78.086 114.308   3.352  1.00 16.95           C  
-ATOM   7531  CG  LEU E 112      79.524 114.248   3.915  1.00 19.24           C  
-ATOM   7532  CD1 LEU E 112      80.564 114.340   2.798  1.00 16.77           C  
-ATOM   7533  CD2 LEU E 112      79.765 115.342   4.971  1.00 20.08           C  
-ATOM   7534  N   TYR E 113      78.816 111.048   2.270  1.00 17.12           N  
-ATOM   7535  CA  TYR E 113      79.385 109.814   2.831  1.00 17.90           C  
-ATOM   7536  C   TYR E 113      80.916 110.011   2.880  1.00 17.77           C  
-ATOM   7537  O   TYR E 113      81.520 110.325   1.880  1.00 18.00           O  
-ATOM   7538  CB  TYR E 113      78.947 108.585   2.002  1.00 17.79           C  
-ATOM   7539  CG  TYR E 113      79.514 107.280   2.528  1.00 19.10           C  
-ATOM   7540  CD1 TYR E 113      79.529 107.009   3.891  1.00 19.79           C  
-ATOM   7541  CD2 TYR E 113      80.061 106.332   1.659  1.00 20.34           C  
-ATOM   7542  CE1 TYR E 113      80.062 105.838   4.384  1.00 22.17           C  
-ATOM   7543  CE2 TYR E 113      80.594 105.132   2.149  1.00 19.89           C  
-ATOM   7544  CZ  TYR E 113      80.606 104.903   3.506  1.00 22.70           C  
-ATOM   7545  OH  TYR E 113      81.153 103.746   4.044  1.00 26.74           O  
-ATOM   7546  N   MET E 114      81.528 109.881   4.050  1.00 17.73           N  
-ATOM   7547  CA  MET E 114      82.959 110.161   4.191  1.00 17.96           C  
-ATOM   7548  C   MET E 114      83.652 109.112   5.055  1.00 17.40           C  
-ATOM   7549  O   MET E 114      83.996 109.389   6.235  1.00 17.08           O  
-ATOM   7550  CB  MET E 114      83.175 111.582   4.754  1.00 18.06           C  
-ATOM   7551  CG  MET E 114      84.651 112.066   4.802  1.00 20.92           C  
-ATOM   7552  SD  MET E 114      84.866 113.947   4.972  1.00 27.67           S  
-ATOM   7553  CE  MET E 114      83.267 114.415   5.165  1.00 26.82           C  
-ATOM   7554  N   PRO E 115      83.849 107.912   4.508  1.00 17.05           N  
-ATOM   7555  CA  PRO E 115      84.529 106.853   5.247  1.00 16.55           C  
-ATOM   7556  C   PRO E 115      86.058 107.129   5.354  1.00 17.02           C  
-ATOM   7557  O   PRO E 115      86.648 107.752   4.464  1.00 17.10           O  
-ATOM   7558  CB  PRO E 115      84.259 105.624   4.392  1.00 16.88           C  
-ATOM   7559  CG  PRO E 115      84.108 106.106   2.999  1.00 16.48           C  
-ATOM   7560  CD  PRO E 115      83.464 107.472   3.146  1.00 17.39           C  
-ATOM   7561  N   SER E 116      86.683 106.728   6.455  1.00 16.70           N  
-ATOM   7562  CA  SER E 116      88.135 106.548   6.466  1.00 17.05           C  
-ATOM   7563  C   SER E 116      88.465 105.188   5.862  1.00 17.12           C  
-ATOM   7564  O   SER E 116      87.898 104.166   6.280  1.00 16.93           O  
-ATOM   7565  CB  SER E 116      88.663 106.591   7.876  1.00 17.21           C  
-ATOM   7566  OG  SER E 116      90.065 106.836   7.929  1.00 18.89           O  
-ATOM   7567  N   ILE E 117      89.368 105.183   4.881  1.00 17.62           N  
-ATOM   7568  CA  ILE E 117      89.708 103.990   4.129  1.00 17.67           C  
-ATOM   7569  C   ILE E 117      91.206 103.748   4.215  1.00 17.78           C  
-ATOM   7570  O   ILE E 117      91.999 104.679   4.099  1.00 17.66           O  
-ATOM   7571  CB  ILE E 117      89.245 104.154   2.661  1.00 18.52           C  
-ATOM   7572  CG1 ILE E 117      87.701 104.133   2.586  1.00 20.06           C  
-ATOM   7573  CG2 ILE E 117      89.877 103.085   1.737  1.00 17.70           C  
-ATOM   7574  CD1 ILE E 117      87.141 104.059   1.216  1.00 20.98           C  
-ATOM   7575  N   ARG E 118      91.578 102.494   4.443  1.00 17.78           N  
-ATOM   7576  CA  ARG E 118      92.939 102.047   4.257  1.00 18.02           C  
-ATOM   7577  C   ARG E 118      92.987 101.176   3.001  1.00 17.74           C  
-ATOM   7578  O   ARG E 118      92.183 100.258   2.829  1.00 17.53           O  
-ATOM   7579  CB  ARG E 118      93.442 101.288   5.472  1.00 18.16           C  
-ATOM   7580  CG  ARG E 118      94.928 100.966   5.363  1.00 19.82           C  
-ATOM   7581  CD  ARG E 118      95.495 100.084   6.460  1.00 23.07           C  
-ATOM   7582  NE  ARG E 118      96.923  99.836   6.240  1.00 26.40           N  
-ATOM   7583  CZ  ARG E 118      97.822  99.660   7.217  1.00 28.08           C  
-ATOM   7584  NH1 ARG E 118      97.441  99.703   8.501  1.00 27.95           N  
-ATOM   7585  NH2 ARG E 118      99.102  99.426   6.913  1.00 27.50           N  
-ATOM   7586  N   GLN E 119      93.913 101.490   2.108  1.00 17.40           N  
-ATOM   7587  CA  GLN E 119      94.016 100.784   0.833  1.00 17.14           C  
-ATOM   7588  C   GLN E 119      95.437 100.850   0.270  1.00 16.87           C  
-ATOM   7589  O   GLN E 119      96.189 101.819   0.491  1.00 16.79           O  
-ATOM   7590  CB  GLN E 119      93.036 101.374  -0.179  1.00 17.34           C  
-ATOM   7591  CG  GLN E 119      92.690 100.429  -1.335  1.00 17.46           C  
-ATOM   7592  CD  GLN E 119      91.426 100.872  -2.041  1.00 18.38           C  
-ATOM   7593  OE1 GLN E 119      91.043 102.062  -1.964  1.00 19.94           O  
-ATOM   7594  NE2 GLN E 119      90.774  99.959  -2.709  1.00 17.88           N  
-ATOM   7595  N   ARG E 120      95.787  99.793  -0.442  1.00 16.04           N  
-ATOM   7596  CA  ARG E 120      97.094  99.639  -1.021  1.00 15.99           C  
-ATOM   7597  C   ARG E 120      96.930  99.996  -2.526  1.00 14.88           C  
-ATOM   7598  O   ARG E 120      95.924  99.633  -3.140  1.00 13.11           O  
-ATOM   7599  CB  ARG E 120      97.546  98.183  -0.747  1.00 16.07           C  
-ATOM   7600  CG  ARG E 120      99.047  97.905  -0.672  1.00 19.34           C  
-ATOM   7601  CD  ARG E 120      99.454  96.583   0.067  1.00 26.04           C  
-ATOM   7602  NE  ARG E 120      98.557  96.266   1.202  1.00 28.45           N  
-ATOM   7603  CZ  ARG E 120      97.546  95.384   1.148  1.00 27.54           C  
-ATOM   7604  NH1 ARG E 120      97.327  94.702   0.030  1.00 28.81           N  
-ATOM   7605  NH2 ARG E 120      96.756  95.182   2.203  1.00 23.98           N  
-ATOM   7606  N   PHE E 121      97.903 100.718  -3.097  1.00 14.80           N  
-ATOM   7607  CA  PHE E 121      97.844 101.143  -4.498  1.00 15.22           C  
-ATOM   7608  C   PHE E 121      99.155 100.843  -5.248  1.00 15.80           C  
-ATOM   7609  O   PHE E 121     100.222 100.753  -4.648  1.00 16.69           O  
-ATOM   7610  CB  PHE E 121      97.535 102.646  -4.627  1.00 15.56           C  
-ATOM   7611  CG  PHE E 121      96.233 103.086  -3.995  1.00 16.04           C  
-ATOM   7612  CD1 PHE E 121      95.059 103.178  -4.756  1.00 17.95           C  
-ATOM   7613  CD2 PHE E 121      96.179 103.459  -2.659  1.00 11.80           C  
-ATOM   7614  CE1 PHE E 121      93.846 103.604  -4.173  1.00 17.25           C  
-ATOM   7615  CE2 PHE E 121      94.963 103.879  -2.067  1.00 14.87           C  
-ATOM   7616  CZ  PHE E 121      93.796 103.940  -2.824  1.00 17.07           C  
-ATOM   7617  N   SER E 122      99.054 100.684  -6.559  1.00 16.03           N  
-ATOM   7618  CA  SER E 122     100.186 100.574  -7.453  1.00 16.65           C  
-ATOM   7619  C   SER E 122     100.335 101.930  -8.111  1.00 17.26           C  
-ATOM   7620  O   SER E 122      99.403 102.407  -8.777  1.00 16.36           O  
-ATOM   7621  CB  SER E 122      99.932  99.510  -8.517  1.00 16.12           C  
-ATOM   7622  OG  SER E 122     100.765  99.719  -9.645  1.00 16.58           O  
-ATOM   7623  N   CYS E 123     101.502 102.544  -7.926  1.00 18.13           N  
-ATOM   7624  CA  CYS E 123     101.774 103.874  -8.462  1.00 20.02           C  
-ATOM   7625  C   CYS E 123     103.248 104.239  -8.370  1.00 19.67           C  
-ATOM   7626  O   CYS E 123     104.061 103.465  -7.841  1.00 19.53           O  
-ATOM   7627  CB  CYS E 123     100.906 104.924  -7.757  1.00 21.03           C  
-ATOM   7628  SG  CYS E 123     101.156 105.057  -5.979  1.00 25.98           S  
-ATOM   7629  N   ASP E 124     103.581 105.403  -8.922  1.00 19.72           N  
-ATOM   7630  CA  ASP E 124     104.962 105.853  -9.039  1.00 19.67           C  
-ATOM   7631  C   ASP E 124     105.551 106.306  -7.707  1.00 19.49           C  
-ATOM   7632  O   ASP E 124     105.278 107.400  -7.227  1.00 19.67           O  
-ATOM   7633  CB  ASP E 124     105.068 106.972 -10.078  1.00 19.67           C  
-ATOM   7634  CG  ASP E 124     106.474 107.139 -10.609  1.00 20.44           C  
-ATOM   7635  OD1 ASP E 124     107.397 106.465 -10.089  1.00 19.82           O  
-ATOM   7636  OD2 ASP E 124     106.746 107.941 -11.532  1.00 21.43           O  
-ATOM   7637  N   VAL E 125     106.368 105.452  -7.114  1.00 19.26           N  
-ATOM   7638  CA  VAL E 125     107.027 105.752  -5.844  1.00 18.98           C  
-ATOM   7639  C   VAL E 125     108.450 106.317  -6.034  1.00 18.64           C  
-ATOM   7640  O   VAL E 125     109.091 106.733  -5.071  1.00 18.30           O  
-ATOM   7641  CB  VAL E 125     107.008 104.497  -4.922  1.00 19.19           C  
-ATOM   7642  CG1 VAL E 125     107.672 104.762  -3.597  1.00 19.16           C  
-ATOM   7643  CG2 VAL E 125     105.568 104.045  -4.678  1.00 18.73           C  
-ATOM   7644  N   SER E 126     108.925 106.370  -7.280  1.00 18.54           N  
-ATOM   7645  CA  SER E 126     110.260 106.922  -7.555  1.00 18.57           C  
-ATOM   7646  C   SER E 126     110.399 108.368  -7.047  1.00 18.26           C  
-ATOM   7647  O   SER E 126     109.472 109.178  -7.165  1.00 17.70           O  
-ATOM   7648  CB  SER E 126     110.626 106.825  -9.038  1.00 18.49           C  
-ATOM   7649  OG  SER E 126     109.795 107.678  -9.801  1.00 18.81           O  
-ATOM   7650  N   GLY E 127     111.560 108.646  -6.456  1.00 17.89           N  
-ATOM   7651  CA  GLY E 127     111.870 109.956  -5.919  1.00 17.70           C  
-ATOM   7652  C   GLY E 127     111.342 110.234  -4.523  1.00 17.53           C  
-ATOM   7653  O   GLY E 127     111.486 111.338  -4.030  1.00 17.49           O  
-ATOM   7654  N   VAL E 128     110.738 109.237  -3.879  1.00 17.27           N  
-ATOM   7655  CA  VAL E 128     110.115 109.434  -2.572  1.00 17.30           C  
-ATOM   7656  C   VAL E 128     111.081 109.926  -1.516  1.00 17.41           C  
-ATOM   7657  O   VAL E 128     110.677 110.653  -0.601  1.00 17.41           O  
-ATOM   7658  CB  VAL E 128     109.402 108.167  -2.061  1.00 17.15           C  
-ATOM   7659  CG1 VAL E 128     110.395 107.034  -1.749  1.00 16.93           C  
-ATOM   7660  CG2 VAL E 128     108.556 108.494  -0.848  1.00 17.42           C  
-ATOM   7661  N   ASP E 129     112.332 109.489  -1.634  1.00 17.50           N  
-ATOM   7662  CA  ASP E 129     113.378 109.881  -0.711  1.00 18.11           C  
-ATOM   7663  C   ASP E 129     114.311 110.927  -1.346  1.00 17.71           C  
-ATOM   7664  O   ASP E 129     115.459 111.058  -0.936  1.00 17.72           O  
-ATOM   7665  CB  ASP E 129     114.150 108.643  -0.191  1.00 18.47           C  
-ATOM   7666  CG  ASP E 129     114.990 108.946   1.073  1.00 20.89           C  
-ATOM   7667  OD1 ASP E 129     114.715 109.949   1.797  1.00 22.00           O  
-ATOM   7668  OD2 ASP E 129     115.965 108.237   1.417  1.00 22.36           O  
-ATOM   7669  N   THR E 130     113.804 111.657  -2.346  1.00 17.52           N  
-ATOM   7670  CA  THR E 130     114.455 112.875  -2.863  1.00 17.39           C  
-ATOM   7671  C   THR E 130     113.691 114.085  -2.328  1.00 17.68           C  
-ATOM   7672  O   THR E 130     112.693 113.929  -1.619  1.00 17.80           O  
-ATOM   7673  CB  THR E 130     114.463 112.927  -4.412  1.00 17.59           C  
-ATOM   7674  OG1 THR E 130     113.112 112.956  -4.916  1.00 15.23           O  
-ATOM   7675  CG2 THR E 130     115.072 111.644  -5.030  1.00 17.51           C  
-ATOM   7676  N   GLU E 131     114.133 115.282  -2.694  1.00 17.82           N  
-ATOM   7677  CA  GLU E 131     113.511 116.502  -2.199  1.00 18.06           C  
-ATOM   7678  C   GLU E 131     112.205 116.837  -2.933  1.00 18.19           C  
-ATOM   7679  O   GLU E 131     111.240 117.257  -2.307  1.00 18.24           O  
-ATOM   7680  CB  GLU E 131     114.488 117.674  -2.271  1.00 18.20           C  
-ATOM   7681  CG  GLU E 131     114.578 118.515  -0.999  1.00 18.67           C  
-ATOM   7682  CD  GLU E 131     115.125 119.914  -1.254  1.00 19.89           C  
-ATOM   7683  OE1 GLU E 131     114.665 120.557  -2.215  1.00 20.73           O  
-ATOM   7684  OE2 GLU E 131     116.017 120.383  -0.502  1.00 21.33           O  
-ATOM   7685  N   SER E 132     112.191 116.663  -4.253  1.00 18.42           N  
-ATOM   7686  CA  SER E 132     111.011 116.906  -5.091  1.00 19.01           C  
-ATOM   7687  C   SER E 132     109.915 115.852  -4.842  1.00 18.80           C  
-ATOM   7688  O   SER E 132     108.757 116.042  -5.217  1.00 18.86           O  
-ATOM   7689  CB  SER E 132     111.409 116.936  -6.573  1.00 19.46           C  
-ATOM   7690  OG  SER E 132     111.662 115.621  -7.035  1.00 21.70           O  
-ATOM   7691  N   GLY E 133     110.308 114.745  -4.212  1.00 18.61           N  
-ATOM   7692  CA  GLY E 133     109.388 113.719  -3.763  1.00 18.11           C  
-ATOM   7693  C   GLY E 133     108.844 112.814  -4.851  1.00 18.29           C  
-ATOM   7694  O   GLY E 133     109.209 112.925  -6.030  1.00 17.57           O  
-ATOM   7695  N   ALA E 134     107.971 111.898  -4.438  1.00 18.23           N  
-ATOM   7696  CA  ALA E 134     107.280 111.019  -5.373  1.00 18.90           C  
-ATOM   7697  C   ALA E 134     105.888 111.579  -5.682  1.00 19.37           C  
-ATOM   7698  O   ALA E 134     105.336 112.379  -4.907  1.00 19.13           O  
-ATOM   7699  CB  ALA E 134     107.175 109.582  -4.797  1.00 18.46           C  
-ATOM   7700  N   THR E 135     105.346 111.186  -6.830  1.00 19.98           N  
-ATOM   7701  CA  THR E 135     103.969 111.513  -7.144  1.00 20.94           C  
-ATOM   7702  C   THR E 135     103.157 110.254  -7.479  1.00 21.42           C  
-ATOM   7703  O   THR E 135     103.337 109.633  -8.530  1.00 21.54           O  
-ATOM   7704  CB  THR E 135     103.914 112.578  -8.229  1.00 21.25           C  
-ATOM   7705  OG1 THR E 135     104.886 113.587  -7.919  1.00 21.24           O  
-ATOM   7706  CG2 THR E 135     102.584 113.331  -8.149  1.00 21.26           C  
-ATOM   7707  N   CYS E 136     102.286 109.882  -6.543  1.00 21.72           N  
-ATOM   7708  CA  CYS E 136     101.396 108.729  -6.679  1.00 22.98           C  
-ATOM   7709  C   CYS E 136     100.041 109.220  -7.174  1.00 22.44           C  
-ATOM   7710  O   CYS E 136      99.430 110.113  -6.585  1.00 22.54           O  
-ATOM   7711  CB  CYS E 136     101.230 107.950  -5.348  1.00 22.52           C  
-ATOM   7712  SG  CYS E 136      99.964 106.608  -5.310  1.00 30.15           S  
-ATOM   7713  N   ARG E 137      99.586 108.638  -8.272  1.00 21.99           N  
-ATOM   7714  CA  ARG E 137      98.319 109.016  -8.853  1.00 21.48           C  
-ATOM   7715  C   ARG E 137      97.261 107.938  -8.557  1.00 20.79           C  
-ATOM   7716  O   ARG E 137      97.452 106.741  -8.852  1.00 20.46           O  
-ATOM   7717  CB  ARG E 137      98.486 109.292 -10.345  1.00 20.98           C  
-ATOM   7718  CG  ARG E 137      97.195 109.384 -11.165  1.00 23.20           C  
-ATOM   7719  CD  ARG E 137      97.433 109.533 -12.696  1.00 26.06           C  
-ATOM   7720  NE  ARG E 137      97.738 108.268 -13.380  1.00 26.27           N  
-ATOM   7721  CZ  ARG E 137      98.954 107.917 -13.809  1.00 26.67           C  
-ATOM   7722  NH1 ARG E 137      99.997 108.724 -13.611  1.00 24.67           N  
-ATOM   7723  NH2 ARG E 137      99.130 106.756 -14.436  1.00 25.37           N  
-ATOM   7724  N   ILE E 138      96.166 108.357  -7.938  1.00 19.37           N  
-ATOM   7725  CA  ILE E 138      95.061 107.453  -7.643  1.00 18.81           C  
-ATOM   7726  C   ILE E 138      93.882 107.810  -8.554  1.00 18.59           C  
-ATOM   7727  O   ILE E 138      93.425 108.971  -8.576  1.00 18.12           O  
-ATOM   7728  CB  ILE E 138      94.646 107.511  -6.143  1.00 19.18           C  
-ATOM   7729  CG1 ILE E 138      95.794 107.041  -5.244  1.00 17.69           C  
-ATOM   7730  CG2 ILE E 138      93.379 106.681  -5.883  1.00 19.38           C  
-ATOM   7731  CD1 ILE E 138      95.791 107.714  -3.903  1.00 16.66           C  
-ATOM   7732  N   LYS E 139      93.426 106.818  -9.321  1.00 17.53           N  
-ATOM   7733  CA  LYS E 139      92.342 107.023 -10.267  1.00 17.37           C  
-ATOM   7734  C   LYS E 139      91.027 106.424  -9.724  1.00 17.29           C  
-ATOM   7735  O   LYS E 139      90.933 105.207  -9.465  1.00 16.72           O  
-ATOM   7736  CB  LYS E 139      92.699 106.446 -11.649  1.00 16.86           C  
-ATOM   7737  CG  LYS E 139      91.517 106.379 -12.615  1.00 17.02           C  
-ATOM   7738  CD  LYS E 139      91.888 105.679 -13.917  1.00 19.99           C  
-ATOM   7739  CE  LYS E 139      90.650 105.217 -14.675  1.00 20.22           C  
-ATOM   7740  NZ  LYS E 139      91.054 104.503 -15.946  1.00 24.34           N  
-ATOM   7741  N   ILE E 140      90.036 107.295  -9.532  1.00 16.69           N  
-ATOM   7742  CA  ILE E 140      88.766 106.851  -8.987  1.00 16.88           C  
-ATOM   7743  C   ILE E 140      87.574 107.193  -9.896  1.00 16.34           C  
-ATOM   7744  O   ILE E 140      87.407 108.341 -10.301  1.00 16.02           O  
-ATOM   7745  CB  ILE E 140      88.537 107.447  -7.579  1.00 17.26           C  
-ATOM   7746  CG1 ILE E 140      89.540 106.884  -6.556  1.00 17.27           C  
-ATOM   7747  CG2 ILE E 140      87.078 107.182  -7.117  1.00 15.97           C  
-ATOM   7748  CD1 ILE E 140      89.835 107.914  -5.414  1.00 20.20           C  
-ATOM   7749  N   GLY E 141      86.737 106.204 -10.190  1.00 15.32           N  
-ATOM   7750  CA  GLY E 141      85.535 106.474 -10.957  1.00 14.86           C  
-ATOM   7751  C   GLY E 141      84.487 105.411 -10.722  1.00 14.95           C  
-ATOM   7752  O   GLY E 141      84.732 104.434  -9.995  1.00 14.50           O  
-ATOM   7753  N   SER E 142      83.322 105.614 -11.337  1.00 13.91           N  
-ATOM   7754  CA  SER E 142      82.246 104.672 -11.197  1.00 14.12           C  
-ATOM   7755  C   SER E 142      82.659 103.392 -11.961  1.00 13.58           C  
-ATOM   7756  O   SER E 142      83.113 103.466 -13.093  1.00 13.19           O  
-ATOM   7757  CB  SER E 142      80.950 105.253 -11.773  1.00 13.98           C  
-ATOM   7758  OG  SER E 142      79.995 104.220 -11.956  1.00 15.97           O  
-ATOM   7759  N   TRP E 143      82.481 102.249 -11.343  1.00 12.37           N  
-ATOM   7760  CA  TRP E 143      82.855 100.991 -11.993  1.00 12.27           C  
-ATOM   7761  C   TRP E 143      81.944 100.584 -13.163  1.00 11.75           C  
-ATOM   7762  O   TRP E 143      82.392 100.046 -14.170  1.00 11.79           O  
-ATOM   7763  CB  TRP E 143      82.919  99.854 -10.955  1.00 11.73           C  
-ATOM   7764  CG  TRP E 143      83.649  98.661 -11.538  1.00 13.70           C  
-ATOM   7765  CD1 TRP E 143      83.154  97.413 -11.769  1.00 13.14           C  
-ATOM   7766  CD2 TRP E 143      85.014  98.638 -12.010  1.00 13.61           C  
-ATOM   7767  NE1 TRP E 143      84.123  96.607 -12.326  1.00  9.75           N  
-ATOM   7768  CE2 TRP E 143      85.275  97.330 -12.477  1.00 10.44           C  
-ATOM   7769  CE3 TRP E 143      86.052  99.578 -12.032  1.00  8.99           C  
-ATOM   7770  CZ2 TRP E 143      86.524  96.946 -12.987  1.00 12.19           C  
-ATOM   7771  CZ3 TRP E 143      87.283  99.199 -12.541  1.00 11.42           C  
-ATOM   7772  CH2 TRP E 143      87.508  97.886 -13.014  1.00 11.17           C  
-ATOM   7773  N   THR E 144      80.648 100.811 -13.009  1.00 11.53           N  
-ATOM   7774  CA  THR E 144      79.662 100.339 -13.984  1.00 10.89           C  
-ATOM   7775  C   THR E 144      78.778 101.414 -14.601  1.00 11.11           C  
-ATOM   7776  O   THR E 144      77.985 101.105 -15.473  1.00 10.60           O  
-ATOM   7777  CB  THR E 144      78.737  99.230 -13.450  1.00 10.49           C  
-ATOM   7778  OG1 THR E 144      77.757  99.779 -12.533  1.00  8.27           O  
-ATOM   7779  CG2 THR E 144      79.524  98.196 -12.654  1.00 10.70           C  
-ATOM   7780  N   HIS E 145      78.875 102.662 -14.137  1.00 10.94           N  
-ATOM   7781  CA  HIS E 145      78.017 103.696 -14.675  1.00 10.86           C  
-ATOM   7782  C   HIS E 145      78.785 104.670 -15.546  1.00 11.03           C  
-ATOM   7783  O   HIS E 145      79.696 105.333 -15.076  1.00 11.18           O  
-ATOM   7784  CB  HIS E 145      77.320 104.444 -13.555  1.00 11.10           C  
-ATOM   7785  CG  HIS E 145      76.165 103.711 -12.991  1.00 10.74           C  
-ATOM   7786  ND1 HIS E 145      76.201 103.103 -11.753  1.00 11.07           N  
-ATOM   7787  CD2 HIS E 145      74.938 103.463 -13.504  1.00  7.74           C  
-ATOM   7788  CE1 HIS E 145      75.036 102.531 -11.518  1.00  9.48           C  
-ATOM   7789  NE2 HIS E 145      74.249 102.743 -12.561  1.00  8.80           N  
-ATOM   7790  N   HIS E 146      78.431 104.731 -16.826  1.00 10.71           N  
-ATOM   7791  CA  HIS E 146      79.102 105.640 -17.758  1.00 11.38           C  
-ATOM   7792  C   HIS E 146      78.699 107.108 -17.562  1.00 11.51           C  
-ATOM   7793  O   HIS E 146      77.906 107.435 -16.675  1.00 11.18           O  
-ATOM   7794  CB  HIS E 146      78.912 105.236 -19.239  1.00 10.75           C  
-ATOM   7795  CG  HIS E 146      77.483 105.143 -19.661  1.00 11.28           C  
-ATOM   7796  ND1 HIS E 146      76.706 106.251 -19.915  1.00 12.59           N  
-ATOM   7797  CD2 HIS E 146      76.690 104.070 -19.885  1.00 10.86           C  
-ATOM   7798  CE1 HIS E 146      75.484 105.865 -20.238  1.00 10.69           C  
-ATOM   7799  NE2 HIS E 146      75.451 104.546 -20.233  1.00 10.69           N  
-ATOM   7800  N   SER E 147      79.217 107.969 -18.447  1.00 11.80           N  
-ATOM   7801  CA  SER E 147      79.153 109.417 -18.240  1.00 12.25           C  
-ATOM   7802  C   SER E 147      77.726 109.984 -18.330  1.00 12.17           C  
-ATOM   7803  O   SER E 147      77.436 111.033 -17.763  1.00 12.73           O  
-ATOM   7804  CB  SER E 147      80.142 110.174 -19.153  1.00 12.29           C  
-ATOM   7805  OG  SER E 147      79.513 110.588 -20.358  1.00 13.94           O  
-ATOM   7806  N   ARG E 148      76.817 109.283 -18.989  1.00 12.46           N  
-ATOM   7807  CA  ARG E 148      75.422 109.740 -18.985  1.00 12.76           C  
-ATOM   7808  C   ARG E 148      74.667 109.336 -17.729  1.00 12.64           C  
-ATOM   7809  O   ARG E 148      73.525 109.749 -17.533  1.00 12.95           O  
-ATOM   7810  CB  ARG E 148      74.675 109.300 -20.256  1.00 13.49           C  
-ATOM   7811  CG  ARG E 148      75.242 109.874 -21.594  1.00 13.43           C  
-ATOM   7812  CD  ARG E 148      74.499 109.395 -22.855  1.00 18.20           C  
-ATOM   7813  NE  ARG E 148      74.398 107.927 -23.012  1.00 21.34           N  
-ATOM   7814  CZ  ARG E 148      73.261 107.197 -22.885  1.00 24.53           C  
-ATOM   7815  NH1 ARG E 148      72.092 107.771 -22.573  1.00 23.05           N  
-ATOM   7816  NH2 ARG E 148      73.293 105.872 -23.059  1.00 22.91           N  
-ATOM   7817  N   GLU E 149      75.315 108.588 -16.841  1.00 12.56           N  
-ATOM   7818  CA  GLU E 149      74.642 108.118 -15.620  1.00 12.30           C  
-ATOM   7819  C   GLU E 149      75.321 108.642 -14.338  1.00 12.62           C  
-ATOM   7820  O   GLU E 149      74.643 109.004 -13.357  1.00 12.08           O  
-ATOM   7821  CB  GLU E 149      74.593 106.591 -15.673  1.00 11.71           C  
-ATOM   7822  CG  GLU E 149      73.743 106.017 -16.809  1.00  9.57           C  
-ATOM   7823  CD  GLU E 149      73.624 104.475 -16.797  1.00 11.44           C  
-ATOM   7824  OE1 GLU E 149      74.095 103.855 -15.829  1.00 11.04           O  
-ATOM   7825  OE2 GLU E 149      73.016 103.856 -17.738  1.00  8.28           O  
-ATOM   7826  N   ILE E 150      76.659 108.674 -14.350  1.00 12.44           N  
-ATOM   7827  CA  ILE E 150      77.427 109.269 -13.259  1.00 13.12           C  
-ATOM   7828  C   ILE E 150      78.537 110.174 -13.813  1.00 14.76           C  
-ATOM   7829  O   ILE E 150      79.344 109.756 -14.645  1.00 14.82           O  
-ATOM   7830  CB  ILE E 150      78.003 108.190 -12.299  1.00 11.43           C  
-ATOM   7831  CG1 ILE E 150      76.881 107.502 -11.491  1.00  9.72           C  
-ATOM   7832  CG2 ILE E 150      79.058 108.775 -11.414  1.00 10.72           C  
-ATOM   7833  CD1 ILE E 150      77.384 106.465 -10.338  1.00  6.18           C  
-ATOM   7834  N   SER E 151      78.566 111.422 -13.348  1.00 15.77           N  
-ATOM   7835  CA  SER E 151      79.731 112.273 -13.562  1.00 17.78           C  
-ATOM   7836  C   SER E 151      80.512 112.407 -12.266  1.00 18.99           C  
-ATOM   7837  O   SER E 151      79.917 112.540 -11.205  1.00 19.15           O  
-ATOM   7838  CB  SER E 151      79.280 113.653 -14.042  1.00 17.94           C  
-ATOM   7839  OG  SER E 151      78.631 114.312 -12.968  1.00 18.55           O  
-ATOM   7840  N   VAL E 152      81.833 112.326 -12.328  1.00 20.67           N  
-ATOM   7841  CA  VAL E 152      82.646 112.501 -11.125  1.00 23.01           C  
-ATOM   7842  C   VAL E 152      83.474 113.768 -11.266  1.00 24.85           C  
-ATOM   7843  O   VAL E 152      84.136 113.973 -12.289  1.00 24.62           O  
-ATOM   7844  CB  VAL E 152      83.505 111.253 -10.772  1.00 23.58           C  
-ATOM   7845  CG1 VAL E 152      82.615 110.083 -10.361  1.00 24.65           C  
-ATOM   7846  CG2 VAL E 152      84.348 110.816 -11.926  1.00 25.15           C  
-ATOM   7847  N   ASP E 153      83.361 114.649 -10.273  1.00 28.23           N  
-ATOM   7848  CA  ASP E 153      84.054 115.946 -10.260  1.00 30.64           C  
-ATOM   7849  C   ASP E 153      84.841 116.106  -8.958  1.00 32.44           C  
-ATOM   7850  O   ASP E 153      84.379 115.731  -7.878  1.00 31.75           O  
-ATOM   7851  CB  ASP E 153      83.059 117.111 -10.401  1.00 30.97           C  
-ATOM   7852  CG  ASP E 153      82.713 117.450 -11.882  1.00 33.36           C  
-ATOM   7853  OD1 ASP E 153      81.708 116.910 -12.403  1.00 35.80           O  
-ATOM   7854  OD2 ASP E 153      83.352 118.271 -12.596  1.00 35.69           O  
-ATOM   7855  N   PRO E 154      86.045 116.651  -9.046  1.00 34.76           N  
-ATOM   7856  CA  PRO E 154      86.736 117.075  -7.834  1.00 36.70           C  
-ATOM   7857  C   PRO E 154      86.143 118.390  -7.345  1.00 39.30           C  
-ATOM   7858  O   PRO E 154      86.285 119.422  -8.027  1.00 39.97           O  
-ATOM   7859  CB  PRO E 154      88.179 117.258  -8.299  1.00 36.63           C  
-ATOM   7860  CG  PRO E 154      88.083 117.573  -9.768  1.00 35.99           C  
-ATOM   7861  CD  PRO E 154      86.842 116.890 -10.267  1.00 35.06           C  
-ATOM   7862  N   THR E 155      85.435 118.354  -6.217  1.00 41.98           N  
-ATOM   7863  CA  THR E 155      85.245 119.584  -5.426  1.00 44.78           C  
-ATOM   7864  C   THR E 155      86.016 119.456  -4.115  1.00 46.22           C  
-ATOM   7865  O   THR E 155      85.619 118.695  -3.200  1.00 46.40           O  
-ATOM   7866  CB  THR E 155      83.741 119.991  -5.198  1.00 45.17           C  
-ATOM   7867  OG1 THR E 155      82.884 119.359  -6.170  1.00 45.66           O  
-ATOM   7868  CG2 THR E 155      83.552 121.520  -5.465  1.00 45.02           C  
-ATOM   7869  N   THR E 156      87.148 120.169  -4.079  1.00 48.02           N  
-ATOM   7870  CA  THR E 156      88.070 120.249  -2.925  1.00 49.33           C  
-ATOM   7871  C   THR E 156      87.763 121.474  -2.021  1.00 50.20           C  
-ATOM   7872  O   THR E 156      88.205 121.535  -0.850  1.00 50.61           O  
-ATOM   7873  CB  THR E 156      89.572 120.194  -3.433  1.00 49.37           C  
-ATOM   7874  OG1 THR E 156      90.104 118.868  -3.243  1.00 49.99           O  
-ATOM   7875  CG2 THR E 156      90.533 121.111  -2.640  1.00 49.05           C  
-ATOM   7876  N   GLU E 157      86.986 122.419  -2.575  1.00 50.70           N  
-ATOM   7877  CA  GLU E 157      86.538 123.644  -1.894  1.00 50.95           C  
-ATOM   7878  C   GLU E 157      87.704 124.552  -1.457  1.00 50.88           C  
-ATOM   7879  O   GLU E 157      87.490 125.617  -0.850  1.00 50.92           O  
-ATOM   7880  CB  GLU E 157      85.586 123.320  -0.726  1.00 51.26           C  
-ATOM   7881  CG  GLU E 157      84.255 122.689  -1.147  1.00 52.41           C  
-ATOM   7882  CD  GLU E 157      83.274 122.498   0.015  1.00 54.08           C  
-ATOM   7883  OE1 GLU E 157      82.675 123.503   0.474  1.00 55.21           O  
-ATOM   7884  OE2 GLU E 157      83.090 121.341   0.465  1.00 53.97           O  
-ATOM   7885  N   ASN E 158      88.925 124.133  -1.813  1.00 50.44           N  
-ATOM   7886  CA  ASN E 158      90.172 124.793  -1.417  1.00 49.78           C  
-ATOM   7887  C   ASN E 158      90.429 124.748   0.109  1.00 49.42           C  
-ATOM   7888  O   ASN E 158      90.415 125.777   0.806  1.00 49.41           O  
-ATOM   7889  CB  ASN E 158      90.263 126.213  -2.006  1.00 49.86           C  
-ATOM   7890  CG  ASN E 158      91.268 127.096  -1.279  1.00 49.71           C  
-ATOM   7891  OD1 ASN E 158      92.484 126.935  -1.418  1.00 49.51           O  
-ATOM   7892  ND2 ASN E 158      90.759 128.034  -0.489  1.00 49.74           N  
-ATOM   7893  N   SER E 159      90.646 123.533   0.617  1.00 48.59           N  
-ATOM   7894  CA  SER E 159      91.112 123.337   1.994  1.00 47.87           C  
-ATOM   7895  C   SER E 159      92.492 122.648   2.017  1.00 46.94           C  
-ATOM   7896  O   SER E 159      92.676 121.596   1.383  1.00 46.75           O  
-ATOM   7897  CB  SER E 159      90.080 122.579   2.852  1.00 48.13           C  
-ATOM   7898  OG  SER E 159      89.034 121.985   2.086  1.00 49.27           O  
-ATOM   7899  N   ASP E 160      93.441 123.276   2.735  1.00 45.73           N  
-ATOM   7900  CA  ASP E 160      94.867 122.862   2.871  1.00 44.09           C  
-ATOM   7901  C   ASP E 160      95.162 121.349   2.747  1.00 42.35           C  
-ATOM   7902  O   ASP E 160      94.389 120.522   3.245  1.00 42.24           O  
-ATOM   7903  CB  ASP E 160      95.438 123.404   4.198  1.00 44.57           C  
-ATOM   7904  CG  ASP E 160      96.873 123.925   4.075  1.00 44.86           C  
-ATOM   7905  OD1 ASP E 160      97.398 124.045   2.942  1.00 45.84           O  
-ATOM   7906  OD2 ASP E 160      97.555 124.248   5.075  1.00 45.44           O  
-ATOM   7907  N   ASP E 161      96.288 121.019   2.098  1.00 40.24           N  
-ATOM   7908  CA  ASP E 161      96.633 119.640   1.670  1.00 38.25           C  
-ATOM   7909  C   ASP E 161      97.027 118.697   2.809  1.00 36.91           C  
-ATOM   7910  O   ASP E 161      96.464 117.604   2.967  1.00 36.21           O  
-ATOM   7911  CB  ASP E 161      97.784 119.660   0.653  1.00 38.11           C  
-ATOM   7912  CG  ASP E 161      97.422 120.356  -0.633  1.00 37.84           C  
-ATOM   7913  OD1 ASP E 161      96.221 120.390  -0.983  1.00 34.80           O  
-ATOM   7914  OD2 ASP E 161      98.283 120.910  -1.355  1.00 39.64           O  
-ATOM   7915  N   SER E 162      98.030 119.135   3.565  1.00 35.33           N  
-ATOM   7916  CA  SER E 162      98.491 118.474   4.779  1.00 33.47           C  
-ATOM   7917  C   SER E 162      97.536 118.750   5.960  1.00 32.26           C  
-ATOM   7918  O   SER E 162      97.937 118.588   7.122  1.00 32.18           O  
-ATOM   7919  CB  SER E 162      99.901 118.991   5.132  1.00 33.09           C  
-ATOM   7920  OG  SER E 162     100.928 118.254   4.493  1.00 32.04           O  
-ATOM   7921  N   GLU E 163      96.299 119.180   5.690  1.00 30.22           N  
-ATOM   7922  CA  GLU E 163      95.461 119.701   6.779  1.00 28.78           C  
-ATOM   7923  C   GLU E 163      95.236 118.665   7.897  1.00 27.41           C  
-ATOM   7924  O   GLU E 163      95.553 118.939   9.062  1.00 27.48           O  
-ATOM   7925  CB  GLU E 163      94.153 120.335   6.263  1.00 28.98           C  
-ATOM   7926  CG  GLU E 163      93.000 120.396   7.268  1.00 30.17           C  
-ATOM   7927  CD  GLU E 163      92.920 121.689   8.070  1.00 32.77           C  
-ATOM   7928  OE1 GLU E 163      93.977 122.221   8.486  1.00 33.96           O  
-ATOM   7929  OE2 GLU E 163      91.784 122.169   8.305  1.00 33.08           O  
-ATOM   7930  N   TYR E 164      94.743 117.479   7.528  1.00 25.07           N  
-ATOM   7931  CA  TYR E 164      94.477 116.415   8.489  1.00 23.81           C  
-ATOM   7932  C   TYR E 164      95.494 115.275   8.431  1.00 22.86           C  
-ATOM   7933  O   TYR E 164      95.301 114.215   9.025  1.00 23.01           O  
-ATOM   7934  CB  TYR E 164      93.062 115.858   8.289  1.00 23.65           C  
-ATOM   7935  CG  TYR E 164      92.003 116.905   8.429  1.00 22.67           C  
-ATOM   7936  CD1 TYR E 164      91.847 117.590   9.619  1.00 23.85           C  
-ATOM   7937  CD2 TYR E 164      91.168 117.223   7.364  1.00 24.04           C  
-ATOM   7938  CE1 TYR E 164      90.911 118.571   9.755  1.00 24.24           C  
-ATOM   7939  CE2 TYR E 164      90.207 118.207   7.489  1.00 22.63           C  
-ATOM   7940  CZ  TYR E 164      90.088 118.875   8.688  1.00 25.03           C  
-ATOM   7941  OH  TYR E 164      89.146 119.865   8.846  1.00 28.27           O  
-ATOM   7942  N   PHE E 165      96.575 115.481   7.703  1.00 21.69           N  
-ATOM   7943  CA  PHE E 165      97.624 114.477   7.623  1.00 19.91           C  
-ATOM   7944  C   PHE E 165      98.395 114.366   8.942  1.00 19.24           C  
-ATOM   7945  O   PHE E 165      98.708 115.364   9.572  1.00 18.31           O  
-ATOM   7946  CB  PHE E 165      98.561 114.813   6.474  1.00 19.52           C  
-ATOM   7947  CG  PHE E 165      99.488 113.711   6.127  1.00 18.69           C  
-ATOM   7948  CD1 PHE E 165      99.024 112.578   5.457  1.00 17.46           C  
-ATOM   7949  CD2 PHE E 165     100.835 113.791   6.481  1.00 17.53           C  
-ATOM   7950  CE1 PHE E 165      99.889 111.553   5.132  1.00 17.98           C  
-ATOM   7951  CE2 PHE E 165     101.706 112.764   6.170  1.00 17.60           C  
-ATOM   7952  CZ  PHE E 165     101.225 111.630   5.503  1.00 17.55           C  
-ATOM   7953  N   SER E 166      98.695 113.139   9.352  1.00 18.37           N  
-ATOM   7954  CA  SER E 166      99.355 112.909  10.634  1.00 17.52           C  
-ATOM   7955  C   SER E 166     100.740 113.562  10.734  1.00 17.06           C  
-ATOM   7956  O   SER E 166     101.587 113.369   9.878  1.00 16.22           O  
-ATOM   7957  CB  SER E 166      99.475 111.412  10.906  1.00 17.36           C  
-ATOM   7958  OG  SER E 166     100.208 111.180  12.095  1.00 16.97           O  
-ATOM   7959  N   GLN E 167     100.965 114.319  11.793  1.00 17.02           N  
-ATOM   7960  CA  GLN E 167     102.283 114.877  12.069  1.00 17.76           C  
-ATOM   7961  C   GLN E 167     103.287 113.801  12.493  1.00 17.51           C  
-ATOM   7962  O   GLN E 167     104.466 114.083  12.618  1.00 17.18           O  
-ATOM   7963  CB  GLN E 167     102.198 115.960  13.156  1.00 18.15           C  
-ATOM   7964  CG  GLN E 167     101.853 115.401  14.532  1.00 19.75           C  
-ATOM   7965  CD  GLN E 167     101.556 116.467  15.568  1.00 22.62           C  
-ATOM   7966  OE1 GLN E 167     102.484 117.145  16.067  1.00 22.78           O  
-ATOM   7967  NE2 GLN E 167     100.269 116.605  15.929  1.00 22.08           N  
-ATOM   7968  N   TYR E 168     102.821 112.568  12.698  1.00 17.61           N  
-ATOM   7969  CA  TYR E 168     103.682 111.481  13.194  1.00 17.26           C  
-ATOM   7970  C   TYR E 168     104.122 110.524  12.089  1.00 17.03           C  
-ATOM   7971  O   TYR E 168     105.013 109.696  12.279  1.00 17.28           O  
-ATOM   7972  CB  TYR E 168     102.992 110.745  14.345  1.00 17.37           C  
-ATOM   7973  CG  TYR E 168     102.661 111.676  15.500  1.00 17.24           C  
-ATOM   7974  CD1 TYR E 168     103.659 112.382  16.140  1.00 16.92           C  
-ATOM   7975  CD2 TYR E 168     101.343 111.859  15.926  1.00 17.29           C  
-ATOM   7976  CE1 TYR E 168     103.378 113.238  17.187  1.00 18.10           C  
-ATOM   7977  CE2 TYR E 168     101.042 112.729  16.983  1.00 16.80           C  
-ATOM   7978  CZ  TYR E 168     102.073 113.412  17.605  1.00 17.72           C  
-ATOM   7979  OH  TYR E 168     101.832 114.266  18.644  1.00 19.03           O  
-ATOM   7980  N   SER E 169     103.518 110.668  10.925  1.00 16.14           N  
-ATOM   7981  CA  SER E 169     103.979 109.985   9.741  1.00 16.01           C  
-ATOM   7982  C   SER E 169     105.464 110.218   9.459  1.00 16.20           C  
-ATOM   7983  O   SER E 169     106.072 111.223   9.847  1.00 15.42           O  
-ATOM   7984  CB  SER E 169     103.142 110.398   8.526  1.00 15.90           C  
-ATOM   7985  OG  SER E 169     103.453 109.621   7.388  1.00 15.81           O  
-ATOM   7986  N   ARG E 170     106.034 109.245   8.767  1.00 16.55           N  
-ATOM   7987  CA  ARG E 170     107.410 109.281   8.341  1.00 16.75           C  
-ATOM   7988  C   ARG E 170     107.515 110.125   7.088  1.00 16.07           C  
-ATOM   7989  O   ARG E 170     108.618 110.509   6.681  1.00 15.70           O  
-ATOM   7990  CB  ARG E 170     107.837 107.867   7.973  1.00 17.33           C  
-ATOM   7991  CG  ARG E 170     108.802 107.213   8.946  1.00 20.32           C  
-ATOM   7992  CD  ARG E 170     109.255 105.841   8.456  1.00 23.85           C  
-ATOM   7993  NE  ARG E 170     108.111 105.085   7.933  1.00 26.60           N  
-ATOM   7994  CZ  ARG E 170     108.204 103.976   7.188  1.00 27.62           C  
-ATOM   7995  NH1 ARG E 170     109.405 103.486   6.890  1.00 25.30           N  
-ATOM   7996  NH2 ARG E 170     107.092 103.357   6.753  1.00 25.09           N  
-ATOM   7997  N   PHE E 171     106.374 110.373   6.458  1.00 14.77           N  
-ATOM   7998  CA  PHE E 171     106.313 111.063   5.188  1.00 14.63           C  
-ATOM   7999  C   PHE E 171     105.618 112.416   5.398  1.00 15.09           C  
-ATOM   8000  O   PHE E 171     104.979 112.630   6.430  1.00 14.74           O  
-ATOM   8001  CB  PHE E 171     105.623 110.172   4.129  1.00 13.98           C  
-ATOM   8002  CG  PHE E 171     106.148 108.733   4.103  1.00 13.13           C  
-ATOM   8003  CD1 PHE E 171     105.641 107.774   4.966  1.00 12.04           C  
-ATOM   8004  CD2 PHE E 171     107.177 108.370   3.260  1.00 13.92           C  
-ATOM   8005  CE1 PHE E 171     106.137 106.470   4.982  1.00 12.77           C  
-ATOM   8006  CE2 PHE E 171     107.692 107.055   3.261  1.00 14.51           C  
-ATOM   8007  CZ  PHE E 171     107.178 106.106   4.133  1.00 13.71           C  
-ATOM   8008  N   GLU E 172     105.793 113.339   4.450  1.00 15.93           N  
-ATOM   8009  CA  GLU E 172     105.097 114.625   4.469  1.00 17.06           C  
-ATOM   8010  C   GLU E 172     104.519 114.862   3.093  1.00 17.19           C  
-ATOM   8011  O   GLU E 172     105.081 114.415   2.099  1.00 17.39           O  
-ATOM   8012  CB  GLU E 172     106.024 115.785   4.890  1.00 17.05           C  
-ATOM   8013  CG  GLU E 172     107.268 115.961   4.026  1.00 19.06           C  
-ATOM   8014  CD  GLU E 172     108.222 117.063   4.515  1.00 22.53           C  
-ATOM   8015  OE1 GLU E 172     107.782 117.955   5.268  1.00 24.91           O  
-ATOM   8016  OE2 GLU E 172     109.413 117.044   4.134  1.00 22.72           O  
-ATOM   8017  N   ILE E 173     103.397 115.561   3.043  1.00 17.57           N  
-ATOM   8018  CA  ILE E 173     102.736 115.848   1.782  1.00 18.20           C  
-ATOM   8019  C   ILE E 173     103.177 117.206   1.262  1.00 18.67           C  
-ATOM   8020  O   ILE E 173     103.127 118.211   1.987  1.00 18.60           O  
-ATOM   8021  CB  ILE E 173     101.215 115.788   1.961  1.00 18.38           C  
-ATOM   8022  CG1 ILE E 173     100.793 114.344   2.243  1.00 18.68           C  
-ATOM   8023  CG2 ILE E 173     100.514 116.315   0.717  1.00 18.59           C  
-ATOM   8024  CD1 ILE E 173      99.342 114.197   2.505  1.00 20.56           C  
-ATOM   8025  N   LEU E 174     103.643 117.223   0.014  1.00 18.97           N  
-ATOM   8026  CA  LEU E 174     104.067 118.456  -0.621  1.00 19.39           C  
-ATOM   8027  C   LEU E 174     102.903 119.143  -1.332  1.00 19.85           C  
-ATOM   8028  O   LEU E 174     102.763 120.364  -1.273  1.00 19.84           O  
-ATOM   8029  CB  LEU E 174     105.220 118.173  -1.574  1.00 19.13           C  
-ATOM   8030  CG  LEU E 174     106.449 117.507  -0.937  1.00 19.44           C  
-ATOM   8031  CD1 LEU E 174     107.475 117.148  -1.988  1.00 19.58           C  
-ATOM   8032  CD2 LEU E 174     107.084 118.382   0.130  1.00 18.98           C  
-ATOM   8033  N   ASP E 175     102.060 118.345  -1.972  1.00 20.03           N  
-ATOM   8034  CA  ASP E 175     100.981 118.852  -2.805  1.00 21.15           C  
-ATOM   8035  C   ASP E 175      99.989 117.751  -3.182  1.00 21.13           C  
-ATOM   8036  O   ASP E 175     100.370 116.590  -3.359  1.00 20.62           O  
-ATOM   8037  CB  ASP E 175     101.545 119.461  -4.094  1.00 21.92           C  
-ATOM   8038  CG  ASP E 175     100.709 120.623  -4.619  1.00 24.34           C  
-ATOM   8039  OD1 ASP E 175      99.563 120.854  -4.135  1.00 26.24           O  
-ATOM   8040  OD2 ASP E 175     101.123 121.345  -5.544  1.00 27.67           O  
-ATOM   8041  N   VAL E 176      98.724 118.143  -3.300  1.00 21.48           N  
-ATOM   8042  CA  VAL E 176      97.671 117.272  -3.817  1.00 22.16           C  
-ATOM   8043  C   VAL E 176      96.949 118.026  -4.939  1.00 22.83           C  
-ATOM   8044  O   VAL E 176      96.450 119.133  -4.723  1.00 22.90           O  
-ATOM   8045  CB  VAL E 176      96.675 116.843  -2.711  1.00 21.80           C  
-ATOM   8046  CG1 VAL E 176      95.657 115.847  -3.251  1.00 21.30           C  
-ATOM   8047  CG2 VAL E 176      97.407 116.286  -1.505  1.00 21.10           C  
-ATOM   8048  N   THR E 177      96.944 117.453  -6.142  1.00 23.39           N  
-ATOM   8049  CA  THR E 177      96.150 117.995  -7.250  1.00 24.04           C  
-ATOM   8050  C   THR E 177      95.168 116.969  -7.831  1.00 23.91           C  
-ATOM   8051  O   THR E 177      95.348 115.770  -7.650  1.00 23.58           O  
-ATOM   8052  CB  THR E 177      97.038 118.543  -8.389  1.00 24.18           C  
-ATOM   8053  OG1 THR E 177      97.948 117.530  -8.834  1.00 25.27           O  
-ATOM   8054  CG2 THR E 177      97.957 119.694  -7.910  1.00 24.87           C  
-ATOM   8055  N   GLN E 178      94.155 117.457  -8.552  1.00 24.06           N  
-ATOM   8056  CA  GLN E 178      93.184 116.597  -9.232  1.00 24.84           C  
-ATOM   8057  C   GLN E 178      92.959 116.942 -10.716  1.00 24.77           C  
-ATOM   8058  O   GLN E 178      93.122 118.097 -11.128  1.00 24.44           O  
-ATOM   8059  CB  GLN E 178      91.848 116.566  -8.497  1.00 25.51           C  
-ATOM   8060  CG  GLN E 178      91.712 117.495  -7.292  1.00 28.07           C  
-ATOM   8061  CD  GLN E 178      91.648 116.728  -5.962  1.00 31.07           C  
-ATOM   8062  OE1 GLN E 178      90.634 116.039  -5.631  1.00 31.74           O  
-ATOM   8063  NE2 GLN E 178      92.725 116.849  -5.188  1.00 31.42           N  
-ATOM   8064  N   LYS E 179      92.618 115.917 -11.507  1.00 24.28           N  
-ATOM   8065  CA  LYS E 179      92.291 116.034 -12.940  1.00 23.77           C  
-ATOM   8066  C   LYS E 179      91.055 115.166 -13.225  1.00 23.44           C  
-ATOM   8067  O   LYS E 179      90.990 114.017 -12.816  1.00 23.25           O  
-ATOM   8068  CB  LYS E 179      93.464 115.581 -13.831  1.00 23.78           C  
-ATOM   8069  CG  LYS E 179      93.239 115.775 -15.368  1.00 25.57           C  
-ATOM   8070  CD  LYS E 179      94.344 115.146 -16.261  1.00 26.72           C  
-ATOM   8071  CE  LYS E 179      94.838 116.105 -17.375  1.00 28.79           C  
-ATOM   8072  NZ  LYS E 179      93.812 116.504 -18.402  1.00 28.31           N  
-ATOM   8073  N   LYS E 180      90.071 115.739 -13.910  1.00 22.67           N  
-ATOM   8074  CA  LYS E 180      88.902 115.010 -14.348  1.00 21.68           C  
-ATOM   8075  C   LYS E 180      89.255 114.357 -15.660  1.00 21.25           C  
-ATOM   8076  O   LYS E 180      89.794 115.012 -16.549  1.00 21.37           O  
-ATOM   8077  CB  LYS E 180      87.761 115.996 -14.557  1.00 22.13           C  
-ATOM   8078  CG  LYS E 180      86.399 115.424 -14.399  1.00 21.16           C  
-ATOM   8079  CD  LYS E 180      85.714 115.366 -15.735  1.00 22.80           C  
-ATOM   8080  CE  LYS E 180      84.323 115.960 -15.666  1.00 24.75           C  
-ATOM   8081  NZ  LYS E 180      83.525 115.459 -14.493  1.00 20.69           N  
-ATOM   8082  N   ASN E 181      88.981 113.059 -15.784  1.00 20.60           N  
-ATOM   8083  CA  ASN E 181      89.175 112.366 -17.053  1.00 19.93           C  
-ATOM   8084  C   ASN E 181      87.899 111.745 -17.585  1.00 19.37           C  
-ATOM   8085  O   ASN E 181      86.930 111.620 -16.852  1.00 18.56           O  
-ATOM   8086  CB  ASN E 181      90.278 111.316 -16.951  1.00 20.09           C  
-ATOM   8087  CG  ASN E 181      91.572 111.906 -16.501  1.00 20.48           C  
-ATOM   8088  OD1 ASN E 181      92.237 112.594 -17.271  1.00 21.08           O  
-ATOM   8089  ND2 ASN E 181      91.928 111.681 -15.232  1.00 19.16           N  
-ATOM   8090  N   SER E 182      87.928 111.397 -18.875  1.00 18.97           N  
-ATOM   8091  CA  SER E 182      86.836 110.751 -19.576  1.00 19.13           C  
-ATOM   8092  C   SER E 182      87.399 109.707 -20.576  1.00 19.47           C  
-ATOM   8093  O   SER E 182      87.854 110.031 -21.670  1.00 18.81           O  
-ATOM   8094  CB  SER E 182      85.935 111.804 -20.245  1.00 19.43           C  
-ATOM   8095  OG  SER E 182      84.938 111.217 -21.056  1.00 17.93           O  
-ATOM   8096  N   VAL E 183      87.344 108.439 -20.175  1.00 20.06           N  
-ATOM   8097  CA  VAL E 183      88.004 107.352 -20.904  1.00 20.32           C  
-ATOM   8098  C   VAL E 183      86.969 106.377 -21.443  1.00 20.26           C  
-ATOM   8099  O   VAL E 183      86.101 105.923 -20.678  1.00 19.41           O  
-ATOM   8100  CB  VAL E 183      89.012 106.559 -19.971  1.00 20.91           C  
-ATOM   8101  CG1 VAL E 183      89.752 105.446 -20.743  1.00 20.72           C  
-ATOM   8102  CG2 VAL E 183      90.025 107.506 -19.277  1.00 21.04           C  
-ATOM   8103  N   THR E 184      87.057 106.085 -22.750  1.00 20.19           N  
-ATOM   8104  CA  THR E 184      86.353 104.957 -23.373  1.00 20.48           C  
-ATOM   8105  C   THR E 184      87.234 103.685 -23.285  1.00 20.93           C  
-ATOM   8106  O   THR E 184      88.383 103.696 -23.712  1.00 21.73           O  
-ATOM   8107  CB  THR E 184      85.918 105.280 -24.882  1.00 20.50           C  
-ATOM   8108  OG1 THR E 184      85.362 106.595 -24.980  1.00 20.86           O  
-ATOM   8109  CG2 THR E 184      84.726 104.413 -25.338  1.00 18.97           C  
-ATOM   8110  N   TYR E 185      86.704 102.600 -22.717  1.00 21.51           N  
-ATOM   8111  CA  TYR E 185      87.442 101.325 -22.615  1.00 21.80           C  
-ATOM   8112  C   TYR E 185      86.989 100.345 -23.698  1.00 23.05           C  
-ATOM   8113  O   TYR E 185      85.831 100.377 -24.134  1.00 23.24           O  
-ATOM   8114  CB  TYR E 185      87.274 100.666 -21.220  1.00 21.72           C  
-ATOM   8115  CG  TYR E 185      87.682 101.557 -20.068  1.00 18.50           C  
-ATOM   8116  CD1 TYR E 185      88.990 101.542 -19.560  1.00 15.67           C  
-ATOM   8117  CD2 TYR E 185      86.777 102.448 -19.522  1.00 14.56           C  
-ATOM   8118  CE1 TYR E 185      89.357 102.400 -18.535  1.00 13.80           C  
-ATOM   8119  CE2 TYR E 185      87.130 103.275 -18.535  1.00 13.24           C  
-ATOM   8120  CZ  TYR E 185      88.409 103.265 -18.036  1.00 11.55           C  
-ATOM   8121  OH  TYR E 185      88.688 104.139 -17.018  1.00 15.26           O  
-ATOM   8122  N   SER E 186      87.887  99.454 -24.099  1.00 23.77           N  
-ATOM   8123  CA  SER E 186      87.625  98.494 -25.167  1.00 24.94           C  
-ATOM   8124  C   SER E 186      86.357  97.680 -25.017  1.00 25.32           C  
-ATOM   8125  O   SER E 186      85.748  97.325 -26.019  1.00 26.21           O  
-ATOM   8126  CB  SER E 186      88.809  97.543 -25.335  1.00 25.19           C  
-ATOM   8127  OG  SER E 186      89.717  98.078 -26.278  1.00 26.25           O  
-ATOM   8128  N   CYS E 187      85.970  97.389 -23.781  1.00 25.52           N  
-ATOM   8129  CA  CYS E 187      84.833  96.530 -23.481  1.00 25.83           C  
-ATOM   8130  C   CYS E 187      83.514  97.067 -23.993  1.00 26.36           C  
-ATOM   8131  O   CYS E 187      82.702  96.318 -24.553  1.00 26.78           O  
-ATOM   8132  CB  CYS E 187      84.714  96.314 -21.964  1.00 25.49           C  
-ATOM   8133  SG  CYS E 187      83.953  97.671 -20.996  1.00 26.02           S  
-ATOM   8134  N   CYS E 188      83.319  98.367 -23.789  1.00 26.58           N  
-ATOM   8135  CA  CYS E 188      82.003  99.005 -23.813  1.00 27.06           C  
-ATOM   8136  C   CYS E 188      82.107 100.334 -24.551  1.00 26.15           C  
-ATOM   8137  O   CYS E 188      83.124 100.999 -24.447  1.00 26.13           O  
-ATOM   8138  CB  CYS E 188      81.514  99.246 -22.374  1.00 27.49           C  
-ATOM   8139  SG  CYS E 188      81.932  97.915 -21.213  1.00 30.65           S  
-ATOM   8140  N   PRO E 189      81.058 100.725 -25.276  1.00 25.66           N  
-ATOM   8141  CA  PRO E 189      81.144 101.836 -26.246  1.00 25.08           C  
-ATOM   8142  C   PRO E 189      81.055 103.266 -25.670  1.00 24.14           C  
-ATOM   8143  O   PRO E 189      81.430 104.218 -26.371  1.00 24.55           O  
-ATOM   8144  CB  PRO E 189      79.959 101.560 -27.165  1.00 24.95           C  
-ATOM   8145  CG  PRO E 189      78.928 100.966 -26.221  1.00 25.38           C  
-ATOM   8146  CD  PRO E 189      79.713 100.118 -25.261  1.00 25.33           C  
-ATOM   8147  N   GLU E 190      80.582 103.394 -24.432  1.00 22.92           N  
-ATOM   8148  CA  GLU E 190      80.346 104.662 -23.754  1.00 21.46           C  
-ATOM   8149  C   GLU E 190      81.554 105.004 -22.906  1.00 20.38           C  
-ATOM   8150  O   GLU E 190      82.313 104.112 -22.531  1.00 21.42           O  
-ATOM   8151  CB  GLU E 190      79.144 104.500 -22.815  1.00 22.02           C  
-ATOM   8152  CG  GLU E 190      77.783 104.833 -23.403  1.00 23.54           C  
-ATOM   8153  CD  GLU E 190      77.582 106.332 -23.593  1.00 27.80           C  
-ATOM   8154  OE1 GLU E 190      77.692 107.097 -22.594  1.00 31.24           O  
-ATOM   8155  OE2 GLU E 190      77.335 106.752 -24.739  1.00 26.80           O  
-ATOM   8156  N   ALA E 191      81.711 106.284 -22.579  1.00 17.87           N  
-ATOM   8157  CA  ALA E 191      82.821 106.815 -21.783  1.00 16.66           C  
-ATOM   8158  C   ALA E 191      82.512 106.794 -20.298  1.00 16.05           C  
-ATOM   8159  O   ALA E 191      81.349 106.965 -19.892  1.00 15.28           O  
-ATOM   8160  CB  ALA E 191      83.159 108.238 -22.234  1.00 16.63           C  
-ATOM   8161  N   TYR E 192      83.546 106.556 -19.484  1.00 15.82           N  
-ATOM   8162  CA  TYR E 192      83.405 106.516 -18.019  1.00 16.23           C  
-ATOM   8163  C   TYR E 192      84.274 107.602 -17.455  1.00 16.75           C  
-ATOM   8164  O   TYR E 192      85.425 107.757 -17.861  1.00 17.15           O  
-ATOM   8165  CB  TYR E 192      83.859 105.150 -17.472  1.00 15.56           C  
-ATOM   8166  CG  TYR E 192      82.946 104.040 -17.913  1.00 15.75           C  
-ATOM   8167  CD1 TYR E 192      83.090 103.449 -19.168  1.00 15.94           C  
-ATOM   8168  CD2 TYR E 192      81.925 103.601 -17.086  1.00 15.05           C  
-ATOM   8169  CE1 TYR E 192      82.234 102.433 -19.580  1.00 16.75           C  
-ATOM   8170  CE2 TYR E 192      81.074 102.596 -17.472  1.00 15.96           C  
-ATOM   8171  CZ  TYR E 192      81.228 102.014 -18.723  1.00 16.47           C  
-ATOM   8172  OH  TYR E 192      80.395 101.016 -19.131  1.00 17.88           O  
-ATOM   8173  N   GLU E 193      83.737 108.362 -16.524  1.00 17.23           N  
-ATOM   8174  CA  GLU E 193      84.482 109.434 -15.903  1.00 17.78           C  
-ATOM   8175  C   GLU E 193      85.288 108.984 -14.696  1.00 18.43           C  
-ATOM   8176  O   GLU E 193      84.890 108.078 -13.959  1.00 17.91           O  
-ATOM   8177  CB  GLU E 193      83.519 110.563 -15.532  1.00 18.17           C  
-ATOM   8178  CG  GLU E 193      82.971 111.282 -16.779  1.00 18.14           C  
-ATOM   8179  CD  GLU E 193      82.197 112.541 -16.447  1.00 19.75           C  
-ATOM   8180  OE1 GLU E 193      82.276 113.011 -15.298  1.00 20.14           O  
-ATOM   8181  OE2 GLU E 193      81.532 113.081 -17.345  1.00 21.65           O  
-ATOM   8182  N   ASP E 194      86.436 109.608 -14.505  1.00 19.07           N  
-ATOM   8183  CA  ASP E 194      87.239 109.344 -13.330  1.00 20.22           C  
-ATOM   8184  C   ASP E 194      87.853 110.634 -12.829  1.00 19.87           C  
-ATOM   8185  O   ASP E 194      87.956 111.570 -13.578  1.00 19.36           O  
-ATOM   8186  CB  ASP E 194      88.307 108.273 -13.620  1.00 20.60           C  
-ATOM   8187  CG  ASP E 194      89.434 108.756 -14.566  1.00 24.82           C  
-ATOM   8188  OD1 ASP E 194      90.266 109.633 -14.185  1.00 27.54           O  
-ATOM   8189  OD2 ASP E 194      89.605 108.254 -15.708  1.00 29.15           O  
-ATOM   8190  N   VAL E 195      88.232 110.674 -11.559  1.00 19.53           N  
-ATOM   8191  CA  VAL E 195      89.103 111.720 -11.054  1.00 19.61           C  
-ATOM   8192  C   VAL E 195      90.455 111.087 -10.714  1.00 19.20           C  
-ATOM   8193  O   VAL E 195      90.522 110.062 -10.036  1.00 18.80           O  
-ATOM   8194  CB  VAL E 195      88.519 112.393  -9.781  1.00 20.03           C  
-ATOM   8195  CG1 VAL E 195      89.552 113.327  -9.134  1.00 20.98           C  
-ATOM   8196  CG2 VAL E 195      87.269 113.143 -10.105  1.00 20.50           C  
-ATOM   8197  N   GLU E 196      91.518 111.696 -11.208  1.00 18.87           N  
-ATOM   8198  CA  GLU E 196      92.879 111.340 -10.840  1.00 19.14           C  
-ATOM   8199  C   GLU E 196      93.382 112.274  -9.739  1.00 18.70           C  
-ATOM   8200  O   GLU E 196      93.411 113.506  -9.904  1.00 18.63           O  
-ATOM   8201  CB  GLU E 196      93.809 111.374 -12.059  1.00 19.15           C  
-ATOM   8202  CG  GLU E 196      93.738 110.088 -12.855  1.00 23.22           C  
-ATOM   8203  CD  GLU E 196      94.433 110.121 -14.212  1.00 27.90           C  
-ATOM   8204  OE1 GLU E 196      95.081 111.146 -14.596  1.00 28.49           O  
-ATOM   8205  OE2 GLU E 196      94.318 109.076 -14.903  1.00 28.92           O  
-ATOM   8206  N   VAL E 197      93.753 111.686  -8.604  1.00 18.23           N  
-ATOM   8207  CA  VAL E 197      94.261 112.441  -7.468  1.00 17.66           C  
-ATOM   8208  C   VAL E 197      95.765 112.195  -7.359  1.00 17.75           C  
-ATOM   8209  O   VAL E 197      96.207 111.064  -7.137  1.00 17.33           O  
-ATOM   8210  CB  VAL E 197      93.547 112.035  -6.177  1.00 17.99           C  
-ATOM   8211  CG1 VAL E 197      94.110 112.785  -4.968  1.00 17.43           C  
-ATOM   8212  CG2 VAL E 197      92.035 112.274  -6.299  1.00 17.78           C  
-ATOM   8213  N   SER E 198      96.545 113.262  -7.543  1.00 17.42           N  
-ATOM   8214  CA  SER E 198      97.992 113.164  -7.559  1.00 17.55           C  
-ATOM   8215  C   SER E 198      98.531 113.602  -6.216  1.00 17.40           C  
-ATOM   8216  O   SER E 198      98.440 114.789  -5.849  1.00 17.17           O  
-ATOM   8217  CB  SER E 198      98.589 114.021  -8.680  1.00 17.69           C  
-ATOM   8218  OG  SER E 198      98.319 113.457  -9.949  1.00 19.44           O  
-ATOM   8219  N   LEU E 199      99.098 112.636  -5.495  1.00 17.03           N  
-ATOM   8220  CA  LEU E 199      99.705 112.862  -4.187  1.00 16.89           C  
-ATOM   8221  C   LEU E 199     101.236 113.016  -4.310  1.00 16.54           C  
-ATOM   8222  O   LEU E 199     101.965 112.066  -4.585  1.00 16.62           O  
-ATOM   8223  CB  LEU E 199      99.316 111.722  -3.250  1.00 17.01           C  
-ATOM   8224  CG  LEU E 199      99.972 111.636  -1.869  1.00 18.26           C  
-ATOM   8225  CD1 LEU E 199      99.547 112.794  -0.975  1.00 18.46           C  
-ATOM   8226  CD2 LEU E 199      99.654 110.316  -1.212  1.00 18.81           C  
-ATOM   8227  N   ASN E 200     101.716 114.237  -4.141  1.00 16.23           N  
-ATOM   8228  CA  ASN E 200     103.145 114.523  -4.152  1.00 15.72           C  
-ATOM   8229  C   ASN E 200     103.632 114.497  -2.710  1.00 15.22           C  
-ATOM   8230  O   ASN E 200     103.231 115.331  -1.885  1.00 14.95           O  
-ATOM   8231  CB  ASN E 200     103.390 115.873  -4.831  1.00 15.97           C  
-ATOM   8232  CG  ASN E 200     104.872 116.245  -4.951  1.00 17.26           C  
-ATOM   8233  OD1 ASN E 200     105.195 117.419  -4.940  1.00 18.04           O  
-ATOM   8234  ND2 ASN E 200     105.765 115.253  -5.081  1.00 18.26           N  
-ATOM   8235  N   PHE E 201     104.480 113.521  -2.393  1.00 14.31           N  
-ATOM   8236  CA  PHE E 201     104.916 113.325  -1.015  1.00 14.03           C  
-ATOM   8237  C   PHE E 201     106.373 112.868  -0.946  1.00 13.67           C  
-ATOM   8238  O   PHE E 201     106.932 112.465  -1.966  1.00 13.68           O  
-ATOM   8239  CB  PHE E 201     104.003 112.319  -0.317  1.00 14.31           C  
-ATOM   8240  CG  PHE E 201     104.207 110.902  -0.764  1.00 15.48           C  
-ATOM   8241  CD1 PHE E 201     103.744 110.476  -2.010  1.00 15.70           C  
-ATOM   8242  CD2 PHE E 201     104.897 110.003   0.046  1.00 16.07           C  
-ATOM   8243  CE1 PHE E 201     103.940 109.172  -2.442  1.00 16.41           C  
-ATOM   8244  CE2 PHE E 201     105.093 108.693  -0.369  1.00 16.49           C  
-ATOM   8245  CZ  PHE E 201     104.605 108.269  -1.621  1.00 16.57           C  
-ATOM   8246  N   ARG E 202     106.974 112.923   0.248  1.00 13.36           N  
-ATOM   8247  CA  ARG E 202     108.353 112.472   0.467  1.00 13.14           C  
-ATOM   8248  C   ARG E 202     108.598 111.911   1.883  1.00 13.93           C  
-ATOM   8249  O   ARG E 202     107.761 112.099   2.777  1.00 14.81           O  
-ATOM   8250  CB  ARG E 202     109.315 113.623   0.171  1.00 12.67           C  
-ATOM   8251  CG  ARG E 202     109.476 114.670   1.270  1.00 11.35           C  
-ATOM   8252  CD  ARG E 202     110.415 115.865   0.885  1.00  9.28           C  
-ATOM   8253  NE  ARG E 202     110.145 117.037   1.730  1.00  9.70           N  
-ATOM   8254  CZ  ARG E 202     110.607 118.272   1.509  1.00  7.70           C  
-ATOM   8255  NH1 ARG E 202     111.382 118.513   0.461  1.00  7.01           N  
-ATOM   8256  NH2 ARG E 202     110.301 119.264   2.346  1.00  5.44           N  
-ATOM   8257  N   LYS E 203     109.728 111.233   2.094  1.00 14.69           N  
-ATOM   8258  CA  LYS E 203     110.200 110.910   3.456  1.00 15.73           C  
-ATOM   8259  C   LYS E 203     110.808 112.176   4.036  1.00 15.24           C  
-ATOM   8260  O   LYS E 203     111.585 112.830   3.353  1.00 14.68           O  
-ATOM   8261  CB  LYS E 203     111.306 109.850   3.458  1.00 16.52           C  
-ATOM   8262  CG  LYS E 203     110.935 108.495   2.857  1.00 20.94           C  
-ATOM   8263  CD  LYS E 203     112.203 107.606   2.718  1.00 28.29           C  
-ATOM   8264  CE  LYS E 203     111.868 106.088   2.676  1.00 31.55           C  
-ATOM   8265  NZ  LYS E 203     111.378 105.605   1.340  1.00 32.70           N  
-ATOM   8266  N   LYS E 204     110.469 112.495   5.286  1.00 14.97           N  
-ATOM   8267  CA  LYS E 204     111.071 113.609   6.015  1.00 15.51           C  
-ATOM   8268  C   LYS E 204     112.533 113.324   6.297  1.00 16.26           C  
-ATOM   8269  O   LYS E 204     112.980 112.178   6.173  1.00 16.40           O  
-ATOM   8270  CB  LYS E 204     110.394 113.808   7.355  1.00 14.98           C  
-ATOM   8271  CG  LYS E 204     108.930 113.717   7.344  1.00 13.62           C  
-ATOM   8272  CD  LYS E 204     108.470 114.027   8.729  1.00 12.93           C  
-ATOM   8273  CE  LYS E 204     106.957 114.286   8.740  1.00  8.10           C  
-ATOM   8274  NZ  LYS E 204     106.527 114.046  10.128  1.00  9.14           N  
-ATOM   8275  N   GLY E 205     113.266 114.356   6.704  1.00 17.18           N  
-ATOM   8276  CA  GLY E 205     114.685 114.211   7.002  1.00 18.69           C  
-ATOM   8277  C   GLY E 205     115.066 114.432   8.471  1.00 19.68           C  
-ATOM   8278  O   GLY E 205     114.238 114.825   9.318  1.00 20.09           O  
-TER    8279      GLY E 205                                                      
-ATOM   8280  N   GLU F   0      56.321 182.875  37.916  1.00 24.22           N  
-ATOM   8281  CA  GLU F   0      57.372 182.792  38.991  1.00 24.68           C  
-ATOM   8282  C   GLU F   0      57.669 181.363  39.459  1.00 24.16           C  
-ATOM   8283  O   GLU F   0      56.759 180.635  39.863  1.00 23.85           O  
-ATOM   8284  CB  GLU F   0      57.055 183.686  40.209  1.00 24.91           C  
-ATOM   8285  CG  GLU F   0      57.992 183.436  41.402  1.00 26.57           C  
-ATOM   8286  CD  GLU F   0      58.218 184.660  42.300  1.00 29.18           C  
-ATOM   8287  OE1 GLU F   0      57.253 185.437  42.540  1.00 29.17           O  
-ATOM   8288  OE2 GLU F   0      59.364 184.828  42.794  1.00 29.66           O  
-ATOM   8289  N   PHE F   1      58.956 180.994  39.375  1.00 23.04           N  
-ATOM   8290  CA  PHE F   1      59.494 179.759  39.923  1.00 22.60           C  
-ATOM   8291  C   PHE F   1      60.592 180.130  40.888  1.00 21.93           C  
-ATOM   8292  O   PHE F   1      61.318 181.106  40.679  1.00 22.34           O  
-ATOM   8293  CB  PHE F   1      60.128 178.899  38.835  1.00 22.58           C  
-ATOM   8294  CG  PHE F   1      59.244 178.662  37.638  1.00 24.61           C  
-ATOM   8295  CD1 PHE F   1      58.147 177.792  37.722  1.00 26.40           C  
-ATOM   8296  CD2 PHE F   1      59.520 179.283  36.416  1.00 25.70           C  
-ATOM   8297  CE1 PHE F   1      57.330 177.551  36.610  1.00 27.98           C  
-ATOM   8298  CE2 PHE F   1      58.722 179.049  35.303  1.00 26.70           C  
-ATOM   8299  CZ  PHE F   1      57.619 178.187  35.395  1.00 28.23           C  
-ATOM   8300  N   ASP F   2      60.731 179.367  41.957  1.00 20.94           N  
-ATOM   8301  CA  ASP F   2      61.937 179.505  42.748  1.00 20.32           C  
-ATOM   8302  C   ASP F   2      62.920 178.397  42.361  1.00 19.30           C  
-ATOM   8303  O   ASP F   2      62.588 177.515  41.534  1.00 18.79           O  
-ATOM   8304  CB  ASP F   2      61.630 179.533  44.254  1.00 20.96           C  
-ATOM   8305  CG  ASP F   2      60.965 178.256  44.752  1.00 21.96           C  
-ATOM   8306  OD1 ASP F   2      60.989 177.226  44.050  1.00 22.60           O  
-ATOM   8307  OD2 ASP F   2      60.382 178.198  45.846  1.00 24.08           O  
-ATOM   8308  N   ARG F   3      64.115 178.445  42.936  1.00 18.35           N  
-ATOM   8309  CA  ARG F   3      65.158 177.472  42.629  1.00 17.72           C  
-ATOM   8310  C   ARG F   3      64.642 176.044  42.828  1.00 17.20           C  
-ATOM   8311  O   ARG F   3      64.908 175.139  42.026  1.00 17.22           O  
-ATOM   8312  CB  ARG F   3      66.379 177.720  43.500  1.00 18.08           C  
-ATOM   8313  CG  ARG F   3      67.388 178.691  42.885  1.00 18.97           C  
-ATOM   8314  CD  ARG F   3      68.373 179.283  43.888  1.00 19.37           C  
-ATOM   8315  NE  ARG F   3      69.206 180.278  43.231  1.00 22.24           N  
-ATOM   8316  CZ  ARG F   3      69.031 181.605  43.306  1.00 25.84           C  
-ATOM   8317  NH1 ARG F   3      68.050 182.128  44.049  1.00 27.13           N  
-ATOM   8318  NH2 ARG F   3      69.867 182.413  42.642  1.00 26.22           N  
-ATOM   8319  N   ALA F   4      63.860 175.847  43.877  1.00 16.20           N  
-ATOM   8320  CA  ALA F   4      63.368 174.519  44.175  1.00 15.86           C  
-ATOM   8321  C   ALA F   4      62.486 174.019  43.038  1.00 15.81           C  
-ATOM   8322  O   ALA F   4      62.620 172.869  42.624  1.00 15.51           O  
-ATOM   8323  CB  ALA F   4      62.642 174.499  45.535  1.00 15.37           C  
-ATOM   8324  N   ASP F   5      61.626 174.892  42.501  1.00 15.80           N  
-ATOM   8325  CA  ASP F   5      60.751 174.541  41.377  1.00 16.59           C  
-ATOM   8326  C   ASP F   5      61.536 174.251  40.105  1.00 15.85           C  
-ATOM   8327  O   ASP F   5      61.274 173.263  39.423  1.00 15.75           O  
-ATOM   8328  CB  ASP F   5      59.722 175.646  41.074  1.00 17.27           C  
-ATOM   8329  CG  ASP F   5      58.788 175.915  42.225  1.00 20.67           C  
-ATOM   8330  OD1 ASP F   5      58.517 174.979  43.008  1.00 24.22           O  
-ATOM   8331  OD2 ASP F   5      58.279 177.040  42.436  1.00 25.01           O  
-ATOM   8332  N   ILE F   6      62.501 175.114  39.791  1.00 15.49           N  
-ATOM   8333  CA  ILE F   6      63.352 174.913  38.611  1.00 14.72           C  
-ATOM   8334  C   ILE F   6      64.060 173.552  38.703  1.00 14.78           C  
-ATOM   8335  O   ILE F   6      64.028 172.761  37.763  1.00 14.08           O  
-ATOM   8336  CB  ILE F   6      64.360 176.086  38.424  1.00 14.62           C  
-ATOM   8337  CG1 ILE F   6      63.627 177.409  38.178  1.00 13.95           C  
-ATOM   8338  CG2 ILE F   6      65.311 175.820  37.251  1.00 13.92           C  
-ATOM   8339  CD1 ILE F   6      64.487 178.658  38.586  1.00 12.88           C  
-ATOM   8340  N   LEU F   7      64.654 173.263  39.861  1.00 14.93           N  
-ATOM   8341  CA  LEU F   7      65.400 172.030  40.015  1.00 15.68           C  
-ATOM   8342  C   LEU F   7      64.494 170.776  40.010  1.00 15.69           C  
-ATOM   8343  O   LEU F   7      64.843 169.748  39.430  1.00 14.87           O  
-ATOM   8344  CB  LEU F   7      66.300 172.106  41.247  1.00 16.16           C  
-ATOM   8345  CG  LEU F   7      67.478 173.064  41.019  1.00 17.55           C  
-ATOM   8346  CD1 LEU F   7      67.978 173.652  42.336  1.00 18.78           C  
-ATOM   8347  CD2 LEU F   7      68.572 172.334  40.298  1.00 19.02           C  
-ATOM   8348  N   TYR F   8      63.327 170.891  40.640  1.00 15.79           N  
-ATOM   8349  CA  TYR F   8      62.310 169.851  40.592  1.00 16.79           C  
-ATOM   8350  C   TYR F   8      61.877 169.563  39.159  1.00 16.24           C  
-ATOM   8351  O   TYR F   8      61.852 168.413  38.734  1.00 15.91           O  
-ATOM   8352  CB  TYR F   8      61.100 170.251  41.449  1.00 17.58           C  
-ATOM   8353  CG  TYR F   8      59.978 169.244  41.459  1.00 21.12           C  
-ATOM   8354  CD1 TYR F   8      60.094 168.039  42.157  1.00 24.58           C  
-ATOM   8355  CD2 TYR F   8      58.784 169.507  40.799  1.00 23.06           C  
-ATOM   8356  CE1 TYR F   8      59.045 167.116  42.170  1.00 26.16           C  
-ATOM   8357  CE2 TYR F   8      57.748 168.616  40.814  1.00 25.53           C  
-ATOM   8358  CZ  TYR F   8      57.877 167.419  41.492  1.00 26.98           C  
-ATOM   8359  OH  TYR F   8      56.812 166.540  41.487  1.00 28.53           O  
-ATOM   8360  N   ASN F   9      61.536 170.610  38.420  1.00 15.98           N  
-ATOM   8361  CA  ASN F   9      61.147 170.437  37.035  1.00 16.71           C  
-ATOM   8362  C   ASN F   9      62.235 169.821  36.127  1.00 16.46           C  
-ATOM   8363  O   ASN F   9      61.931 168.938  35.330  1.00 16.21           O  
-ATOM   8364  CB  ASN F   9      60.620 171.735  36.446  1.00 16.61           C  
-ATOM   8365  CG  ASN F   9      59.348 172.163  37.101  1.00 18.49           C  
-ATOM   8366  OD1 ASN F   9      58.696 171.357  37.791  1.00 19.58           O  
-ATOM   8367  ND2 ASN F   9      58.983 173.421  36.922  1.00 17.49           N  
-ATOM   8368  N   ILE F  10      63.471 170.315  36.237  1.00 16.33           N  
-ATOM   8369  CA  ILE F  10      64.612 169.654  35.600  1.00 16.74           C  
-ATOM   8370  C   ILE F  10      64.765 168.190  36.061  1.00 17.28           C  
-ATOM   8371  O   ILE F  10      64.947 167.315  35.234  1.00 16.63           O  
-ATOM   8372  CB  ILE F  10      65.904 170.450  35.836  1.00 16.55           C  
-ATOM   8373  CG1 ILE F  10      65.871 171.729  34.994  1.00 15.28           C  
-ATOM   8374  CG2 ILE F  10      67.140 169.609  35.511  1.00 16.16           C  
-ATOM   8375  CD1 ILE F  10      66.901 172.778  35.469  1.00 14.04           C  
-ATOM   8376  N   ARG F  11      64.655 167.939  37.367  1.00 19.09           N  
-ATOM   8377  CA  ARG F  11      64.870 166.586  37.899  1.00 21.60           C  
-ATOM   8378  C   ARG F  11      63.761 165.683  37.383  1.00 22.71           C  
-ATOM   8379  O   ARG F  11      64.035 164.567  36.946  1.00 23.47           O  
-ATOM   8380  CB  ARG F  11      64.893 166.562  39.435  1.00 22.36           C  
-ATOM   8381  CG  ARG F  11      65.157 165.185  40.058  1.00 26.24           C  
-ATOM   8382  CD  ARG F  11      65.371 165.218  41.598  1.00 35.01           C  
-ATOM   8383  NE  ARG F  11      64.341 164.462  42.334  1.00 39.31           N  
-ATOM   8384  CZ  ARG F  11      63.371 165.023  43.064  1.00 41.60           C  
-ATOM   8385  NH1 ARG F  11      63.295 166.354  43.164  1.00 41.53           N  
-ATOM   8386  NH2 ARG F  11      62.479 164.255  43.700  1.00 41.75           N  
-ATOM   8387  N   GLN F  12      62.527 166.198  37.400  1.00 22.78           N  
-ATOM   8388  CA  GLN F  12      61.338 165.444  37.005  1.00 23.46           C  
-ATOM   8389  C   GLN F  12      61.239 165.105  35.536  1.00 23.24           C  
-ATOM   8390  O   GLN F  12      60.689 164.078  35.173  1.00 23.60           O  
-ATOM   8391  CB  GLN F  12      60.071 166.189  37.450  1.00 23.40           C  
-ATOM   8392  CG  GLN F  12      59.749 165.941  38.879  1.00 24.61           C  
-ATOM   8393  CD  GLN F  12      59.549 164.469  39.141  1.00 28.07           C  
-ATOM   8394  OE1 GLN F  12      58.454 163.954  38.923  1.00 31.68           O  
-ATOM   8395  NE2 GLN F  12      60.598 163.782  39.580  1.00 27.17           N  
-ATOM   8396  N   THR F  13      61.744 165.991  34.685  1.00 23.53           N  
-ATOM   8397  CA  THR F  13      61.684 165.760  33.264  1.00 23.31           C  
-ATOM   8398  C   THR F  13      63.048 165.431  32.720  1.00 24.15           C  
-ATOM   8399  O   THR F  13      63.217 165.412  31.503  1.00 23.69           O  
-ATOM   8400  CB  THR F  13      61.068 166.975  32.500  1.00 23.51           C  
-ATOM   8401  OG1 THR F  13      61.891 168.146  32.671  1.00 21.71           O  
-ATOM   8402  CG2 THR F  13      59.708 167.342  33.095  1.00 22.18           C  
-ATOM   8403  N   SER F  14      64.010 165.149  33.619  1.00 25.03           N  
-ATOM   8404  CA  SER F  14      65.397 164.833  33.199  1.00 24.70           C  
-ATOM   8405  C   SER F  14      65.375 163.685  32.239  1.00 24.20           C  
-ATOM   8406  O   SER F  14      64.638 162.697  32.468  1.00 24.00           O  
-ATOM   8407  CB  SER F  14      66.385 164.557  34.363  1.00 24.92           C  
-ATOM   8408  OG  SER F  14      65.934 163.634  35.347  1.00 24.36           O  
-ATOM   8409  N   ARG F  15      66.085 163.865  31.120  1.00 22.63           N  
-ATOM   8410  CA  ARG F  15      66.362 162.759  30.222  1.00 21.13           C  
-ATOM   8411  C   ARG F  15      67.883 162.741  29.980  1.00 20.84           C  
-ATOM   8412  O   ARG F  15      68.356 163.040  28.872  1.00 19.22           O  
-ATOM   8413  CB  ARG F  15      65.558 162.848  28.930  1.00 21.78           C  
-ATOM   8414  CG  ARG F  15      64.106 162.417  29.055  1.00 22.43           C  
-ATOM   8415  CD  ARG F  15      63.927 160.972  29.562  1.00 24.33           C  
-ATOM   8416  NE  ARG F  15      64.462 159.992  28.601  1.00 23.31           N  
-ATOM   8417  CZ  ARG F  15      63.710 159.360  27.697  1.00 16.72           C  
-ATOM   8418  NH1 ARG F  15      62.407 159.566  27.640  1.00 16.83           N  
-ATOM   8419  NH2 ARG F  15      64.259 158.521  26.877  1.00 16.39           N  
-ATOM   8420  N   PRO F  16      68.630 162.360  31.032  1.00 20.29           N  
-ATOM   8421  CA  PRO F  16      70.115 162.383  31.037  1.00 20.53           C  
-ATOM   8422  C   PRO F  16      70.764 161.529  29.930  1.00 21.49           C  
-ATOM   8423  O   PRO F  16      71.965 161.702  29.668  1.00 22.21           O  
-ATOM   8424  CB  PRO F  16      70.495 161.748  32.395  1.00 20.73           C  
-ATOM   8425  CG  PRO F  16      69.225 161.427  33.113  1.00 19.88           C  
-ATOM   8426  CD  PRO F  16      68.054 161.818  32.278  1.00 19.08           C  
-ATOM   8427  N   ASP F  17      69.984 160.615  29.332  1.00 20.15           N  
-ATOM   8428  CA  ASP F  17      70.462 159.696  28.314  1.00 19.81           C  
-ATOM   8429  C   ASP F  17      70.120 160.113  26.897  1.00 18.97           C  
-ATOM   8430  O   ASP F  17      70.565 159.462  25.980  1.00 17.09           O  
-ATOM   8431  CB  ASP F  17      69.906 158.275  28.568  1.00 21.23           C  
-ATOM   8432  CG  ASP F  17      70.455 157.671  29.855  1.00 23.84           C  
-ATOM   8433  OD1 ASP F  17      71.646 157.928  30.150  1.00 30.03           O  
-ATOM   8434  OD2 ASP F  17      69.791 156.966  30.655  1.00 29.50           O  
-ATOM   8435  N   VAL F  18      69.362 161.207  26.735  1.00 17.68           N  
-ATOM   8436  CA  VAL F  18      68.904 161.652  25.418  1.00 17.67           C  
-ATOM   8437  C   VAL F  18      69.714 162.872  24.951  1.00 17.53           C  
-ATOM   8438  O   VAL F  18      69.615 163.932  25.538  1.00 17.22           O  
-ATOM   8439  CB  VAL F  18      67.376 161.984  25.413  1.00 17.38           C  
-ATOM   8440  CG1 VAL F  18      66.926 162.448  24.032  1.00 17.42           C  
-ATOM   8441  CG2 VAL F  18      66.561 160.778  25.838  1.00 16.15           C  
-ATOM   8442  N   ILE F  19      70.492 162.709  23.895  1.00 17.47           N  
-ATOM   8443  CA  ILE F  19      71.201 163.818  23.277  1.00 18.17           C  
-ATOM   8444  C   ILE F  19      70.194 164.892  22.790  1.00 19.04           C  
-ATOM   8445  O   ILE F  19      69.254 164.568  22.063  1.00 18.56           O  
-ATOM   8446  CB  ILE F  19      72.157 163.310  22.138  1.00 17.84           C  
-ATOM   8447  CG1 ILE F  19      72.960 164.475  21.536  1.00 17.34           C  
-ATOM   8448  CG2 ILE F  19      71.396 162.474  21.101  1.00 16.86           C  
-ATOM   8449  CD1 ILE F  19      74.038 164.068  20.552  1.00 16.18           C  
-ATOM   8450  N   PRO F  20      70.376 166.143  23.222  1.00 20.11           N  
-ATOM   8451  CA  PRO F  20      69.399 167.225  22.947  1.00 21.32           C  
-ATOM   8452  C   PRO F  20      69.532 167.770  21.531  1.00 22.89           C  
-ATOM   8453  O   PRO F  20      69.730 168.965  21.305  1.00 22.82           O  
-ATOM   8454  CB  PRO F  20      69.766 168.301  23.968  1.00 20.83           C  
-ATOM   8455  CG  PRO F  20      71.266 168.128  24.167  1.00 20.53           C  
-ATOM   8456  CD  PRO F  20      71.518 166.631  24.022  1.00 20.24           C  
-ATOM   8457  N   THR F  21      69.430 166.854  20.583  1.00 24.69           N  
-ATOM   8458  CA  THR F  21      69.449 167.174  19.176  1.00 27.51           C  
-ATOM   8459  C   THR F  21      68.199 168.025  18.804  1.00 28.86           C  
-ATOM   8460  O   THR F  21      67.068 167.697  19.182  1.00 29.18           O  
-ATOM   8461  CB  THR F  21      69.559 165.849  18.392  1.00 27.15           C  
-ATOM   8462  OG1 THR F  21      70.908 165.705  17.886  1.00 28.65           O  
-ATOM   8463  CG2 THR F  21      68.676 165.866  17.181  1.00 28.60           C  
-ATOM   8464  N   GLN F  22      68.430 169.146  18.125  1.00 30.19           N  
-ATOM   8465  CA  GLN F  22      67.382 170.085  17.759  1.00 31.56           C  
-ATOM   8466  C   GLN F  22      67.364 170.183  16.231  1.00 31.64           C  
-ATOM   8467  O   GLN F  22      68.418 170.371  15.616  1.00 30.84           O  
-ATOM   8468  CB  GLN F  22      67.668 171.472  18.377  1.00 32.40           C  
-ATOM   8469  CG  GLN F  22      67.242 171.654  19.868  1.00 36.01           C  
-ATOM   8470  CD  GLN F  22      68.368 172.253  20.761  1.00 40.47           C  
-ATOM   8471  OE1 GLN F  22      69.043 173.234  20.358  1.00 42.54           O  
-ATOM   8472  NE2 GLN F  22      68.561 171.672  21.971  1.00 38.99           N  
-ATOM   8473  N   ARG F  23      66.181 170.030  15.632  1.00 31.84           N  
-ATOM   8474  CA  ARG F  23      65.995 170.087  14.166  1.00 32.67           C  
-ATOM   8475  C   ARG F  23      66.978 169.221  13.355  1.00 32.00           C  
-ATOM   8476  O   ARG F  23      67.513 169.675  12.333  1.00 32.23           O  
-ATOM   8477  CB  ARG F  23      66.067 171.540  13.678  1.00 32.91           C  
-ATOM   8478  CG  ARG F  23      64.721 172.188  13.420  1.00 36.76           C  
-ATOM   8479  CD  ARG F  23      64.722 173.715  13.554  1.00 41.26           C  
-ATOM   8480  NE  ARG F  23      64.416 174.193  14.915  1.00 44.04           N  
-ATOM   8481  CZ  ARG F  23      63.973 175.422  15.197  1.00 43.42           C  
-ATOM   8482  NH1 ARG F  23      63.780 176.302  14.222  1.00 42.13           N  
-ATOM   8483  NH2 ARG F  23      63.730 175.772  16.451  1.00 42.97           N  
-ATOM   8484  N   ASP F  24      67.211 167.991  13.819  1.00 31.31           N  
-ATOM   8485  CA  ASP F  24      68.185 167.044  13.224  1.00 30.75           C  
-ATOM   8486  C   ASP F  24      69.608 167.590  12.902  1.00 29.25           C  
-ATOM   8487  O   ASP F  24      70.278 167.109  11.983  1.00 29.63           O  
-ATOM   8488  CB  ASP F  24      67.555 166.302  12.023  1.00 31.57           C  
-ATOM   8489  CG  ASP F  24      66.177 165.696  12.364  1.00 34.39           C  
-ATOM   8490  OD1 ASP F  24      66.016 165.158  13.504  1.00 36.97           O  
-ATOM   8491  OD2 ASP F  24      65.193 165.730  11.577  1.00 35.76           O  
-ATOM   8492  N   ARG F  25      70.050 168.579  13.677  1.00 27.03           N  
-ATOM   8493  CA  ARG F  25      71.376 169.172  13.580  1.00 25.48           C  
-ATOM   8494  C   ARG F  25      72.236 168.676  14.730  1.00 23.89           C  
-ATOM   8495  O   ARG F  25      71.692 168.263  15.756  1.00 23.85           O  
-ATOM   8496  CB  ARG F  25      71.287 170.693  13.661  1.00 25.91           C  
-ATOM   8497  CG  ARG F  25      70.854 171.373  12.366  1.00 28.24           C  
-ATOM   8498  CD  ARG F  25      70.152 172.722  12.568  1.00 33.00           C  
-ATOM   8499  NE  ARG F  25      69.330 173.082  11.401  1.00 36.06           N  
-ATOM   8500  CZ  ARG F  25      68.900 174.313  11.124  1.00 36.99           C  
-ATOM   8501  NH1 ARG F  25      69.203 175.328  11.932  1.00 36.87           N  
-ATOM   8502  NH2 ARG F  25      68.167 174.532  10.036  1.00 35.84           N  
-ATOM   8503  N   PRO F  26      73.568 168.700  14.571  1.00 22.47           N  
-ATOM   8504  CA  PRO F  26      74.460 168.273  15.646  1.00 21.08           C  
-ATOM   8505  C   PRO F  26      74.380 169.193  16.850  1.00 19.88           C  
-ATOM   8506  O   PRO F  26      74.127 170.389  16.704  1.00 18.93           O  
-ATOM   8507  CB  PRO F  26      75.853 168.341  15.001  1.00 21.22           C  
-ATOM   8508  CG  PRO F  26      75.708 169.247  13.814  1.00 21.55           C  
-ATOM   8509  CD  PRO F  26      74.311 169.105  13.356  1.00 22.32           C  
-ATOM   8510  N   VAL F  27      74.536 168.615  18.034  1.00 18.48           N  
-ATOM   8511  CA  VAL F  27      74.715 169.396  19.244  1.00 17.76           C  
-ATOM   8512  C   VAL F  27      76.105 170.038  19.177  1.00 17.28           C  
-ATOM   8513  O   VAL F  27      77.128 169.347  19.115  1.00 16.66           O  
-ATOM   8514  CB  VAL F  27      74.584 168.553  20.515  1.00 17.67           C  
-ATOM   8515  CG1 VAL F  27      74.895 169.417  21.752  1.00 17.60           C  
-ATOM   8516  CG2 VAL F  27      73.185 167.987  20.642  1.00 17.91           C  
-ATOM   8517  N   ALA F  28      76.140 171.366  19.174  1.00 16.69           N  
-ATOM   8518  CA  ALA F  28      77.426 172.070  19.134  1.00 16.41           C  
-ATOM   8519  C   ALA F  28      78.048 172.121  20.521  1.00 16.07           C  
-ATOM   8520  O   ALA F  28      77.557 172.825  21.390  1.00 16.06           O  
-ATOM   8521  CB  ALA F  28      77.257 173.503  18.527  1.00 15.87           C  
-ATOM   8522  N   VAL F  29      79.122 171.369  20.728  1.00 15.88           N  
-ATOM   8523  CA  VAL F  29      79.806 171.365  22.003  1.00 16.26           C  
-ATOM   8524  C   VAL F  29      81.120 172.138  21.899  1.00 17.24           C  
-ATOM   8525  O   VAL F  29      81.906 171.916  20.970  1.00 16.94           O  
-ATOM   8526  CB  VAL F  29      80.114 169.911  22.454  1.00 15.87           C  
-ATOM   8527  CG1 VAL F  29      80.869 169.914  23.709  1.00 14.89           C  
-ATOM   8528  CG2 VAL F  29      78.823 169.078  22.542  1.00 15.64           C  
-ATOM   8529  N   SER F  30      81.367 173.033  22.858  1.00 17.91           N  
-ATOM   8530  CA  SER F  30      82.638 173.755  22.904  1.00 19.03           C  
-ATOM   8531  C   SER F  30      83.465 173.178  24.036  1.00 19.37           C  
-ATOM   8532  O   SER F  30      82.932 172.904  25.107  1.00 19.64           O  
-ATOM   8533  CB  SER F  30      82.403 175.239  23.137  1.00 18.62           C  
-ATOM   8534  OG  SER F  30      81.550 175.775  22.131  1.00 21.07           O  
-ATOM   8535  N   VAL F  31      84.747 172.964  23.787  1.00 19.66           N  
-ATOM   8536  CA  VAL F  31      85.648 172.434  24.796  1.00 20.86           C  
-ATOM   8537  C   VAL F  31      86.875 173.256  24.812  1.00 21.15           C  
-ATOM   8538  O   VAL F  31      87.371 173.656  23.757  1.00 21.67           O  
-ATOM   8539  CB  VAL F  31      86.162 170.985  24.523  1.00 21.38           C  
-ATOM   8540  CG1 VAL F  31      86.487 170.297  25.865  1.00 21.02           C  
-ATOM   8541  CG2 VAL F  31      85.171 170.182  23.784  1.00 22.20           C  
-ATOM   8542  N   SER F  32      87.390 173.470  26.006  1.00 21.45           N  
-ATOM   8543  CA  SER F  32      88.601 174.235  26.191  1.00 22.85           C  
-ATOM   8544  C   SER F  32      89.239 173.747  27.475  1.00 22.54           C  
-ATOM   8545  O   SER F  32      88.541 173.533  28.463  1.00 22.72           O  
-ATOM   8546  CB  SER F  32      88.235 175.702  26.263  1.00 22.77           C  
-ATOM   8547  OG  SER F  32      89.323 176.455  26.723  1.00 27.58           O  
-ATOM   8548  N   LEU F  33      90.542 173.488  27.437  1.00 22.31           N  
-ATOM   8549  CA  LEU F  33      91.267 172.986  28.605  1.00 21.63           C  
-ATOM   8550  C   LEU F  33      92.042 174.128  29.222  1.00 21.68           C  
-ATOM   8551  O   LEU F  33      92.835 174.778  28.533  1.00 21.37           O  
-ATOM   8552  CB  LEU F  33      92.203 171.836  28.224  1.00 20.96           C  
-ATOM   8553  CG  LEU F  33      91.645 170.589  27.538  1.00 21.50           C  
-ATOM   8554  CD1 LEU F  33      92.698 169.466  27.563  1.00 19.79           C  
-ATOM   8555  CD2 LEU F  33      90.311 170.036  28.133  1.00 20.47           C  
-ATOM   8556  N   LYS F  34      91.778 174.394  30.509  1.00 21.20           N  
-ATOM   8557  CA  LYS F  34      92.551 175.369  31.271  1.00 20.40           C  
-ATOM   8558  C   LYS F  34      93.523 174.601  32.153  1.00 19.67           C  
-ATOM   8559  O   LYS F  34      93.126 173.991  33.146  1.00 19.17           O  
-ATOM   8560  CB  LYS F  34      91.661 176.255  32.143  1.00 21.07           C  
-ATOM   8561  CG  LYS F  34      90.394 176.804  31.466  1.00 23.50           C  
-ATOM   8562  CD  LYS F  34      90.683 177.932  30.499  1.00 27.30           C  
-ATOM   8563  CE  LYS F  34      89.509 178.138  29.551  1.00 30.36           C  
-ATOM   8564  NZ  LYS F  34      89.833 179.156  28.485  1.00 33.48           N  
-ATOM   8565  N   PHE F  35      94.794 174.608  31.775  1.00 18.53           N  
-ATOM   8566  CA  PHE F  35      95.801 173.862  32.500  1.00 17.28           C  
-ATOM   8567  C   PHE F  35      96.138 174.537  33.838  1.00 17.17           C  
-ATOM   8568  O   PHE F  35      96.353 175.760  33.902  1.00 16.61           O  
-ATOM   8569  CB  PHE F  35      97.034 173.689  31.623  1.00 17.25           C  
-ATOM   8570  CG  PHE F  35      96.791 172.803  30.437  1.00 17.43           C  
-ATOM   8571  CD1 PHE F  35      96.812 171.433  30.581  1.00 17.86           C  
-ATOM   8572  CD2 PHE F  35      96.478 173.349  29.187  1.00 18.48           C  
-ATOM   8573  CE1 PHE F  35      96.543 170.602  29.493  1.00 19.39           C  
-ATOM   8574  CE2 PHE F  35      96.197 172.533  28.089  1.00 17.77           C  
-ATOM   8575  CZ  PHE F  35      96.244 171.166  28.231  1.00 18.19           C  
-ATOM   8576  N   ILE F  36      96.173 173.718  34.888  1.00 16.34           N  
-ATOM   8577  CA  ILE F  36      96.363 174.183  36.265  1.00 16.29           C  
-ATOM   8578  C   ILE F  36      97.703 173.719  36.770  1.00 16.45           C  
-ATOM   8579  O   ILE F  36      98.421 174.474  37.427  1.00 15.92           O  
-ATOM   8580  CB  ILE F  36      95.222 173.666  37.198  1.00 16.00           C  
-ATOM   8581  CG1 ILE F  36      93.849 173.922  36.564  1.00 15.47           C  
-ATOM   8582  CG2 ILE F  36      95.333 174.285  38.605  1.00 14.76           C  
-ATOM   8583  CD1 ILE F  36      93.573 175.398  36.217  1.00 14.29           C  
-ATOM   8584  N   ASN F  37      98.042 172.476  36.440  1.00 16.72           N  
-ATOM   8585  CA  ASN F  37      99.290 171.904  36.876  1.00 18.16           C  
-ATOM   8586  C   ASN F  37      99.770 170.775  35.994  1.00 18.72           C  
-ATOM   8587  O   ASN F  37      98.962 170.092  35.368  1.00 18.87           O  
-ATOM   8588  CB  ASN F  37      99.209 171.443  38.334  1.00 17.69           C  
-ATOM   8589  CG  ASN F  37     100.406 171.901  39.131  1.00 20.01           C  
-ATOM   8590  OD1 ASN F  37     101.610 171.737  38.699  1.00 19.50           O  
-ATOM   8591  ND2 ASN F  37     100.124 172.525  40.263  1.00 16.47           N  
-ATOM   8592  N   ILE F  38     101.091 170.633  35.914  1.00 19.20           N  
-ATOM   8593  CA  ILE F  38     101.741 169.492  35.298  1.00 19.70           C  
-ATOM   8594  C   ILE F  38     102.528 168.840  36.431  1.00 20.39           C  
-ATOM   8595  O   ILE F  38     103.437 169.447  36.996  1.00 20.59           O  
-ATOM   8596  CB  ILE F  38     102.650 169.942  34.155  1.00 19.82           C  
-ATOM   8597  CG1 ILE F  38     101.807 170.598  33.053  1.00 19.91           C  
-ATOM   8598  CG2 ILE F  38     103.389 168.726  33.573  1.00 19.51           C  
-ATOM   8599  CD1 ILE F  38     102.597 171.597  32.155  1.00 19.80           C  
-ATOM   8600  N   LEU F  39     102.135 167.629  36.802  1.00 21.22           N  
-ATOM   8601  CA  LEU F  39     102.625 167.036  38.043  1.00 21.85           C  
-ATOM   8602  C   LEU F  39     103.789 166.076  37.824  1.00 22.63           C  
-ATOM   8603  O   LEU F  39     104.637 165.884  38.712  1.00 23.22           O  
-ATOM   8604  CB  LEU F  39     101.499 166.286  38.734  1.00 21.70           C  
-ATOM   8605  CG  LEU F  39     100.272 167.175  38.949  1.00 22.91           C  
-ATOM   8606  CD1 LEU F  39      99.149 166.350  39.405  1.00 23.66           C  
-ATOM   8607  CD2 LEU F  39     100.587 168.285  39.952  1.00 23.10           C  
-ATOM   8608  N   GLU F  40     103.808 165.442  36.660  1.00 22.48           N  
-ATOM   8609  CA  GLU F  40     104.828 164.463  36.390  1.00 23.03           C  
-ATOM   8610  C   GLU F  40     105.028 164.337  34.893  1.00 22.23           C  
-ATOM   8611  O   GLU F  40     104.081 164.316  34.111  1.00 22.41           O  
-ATOM   8612  CB  GLU F  40     104.487 163.116  37.001  1.00 23.27           C  
-ATOM   8613  CG  GLU F  40     105.599 162.100  36.827  1.00 27.09           C  
-ATOM   8614  CD  GLU F  40     105.279 160.756  37.461  1.00 32.17           C  
-ATOM   8615  OE1 GLU F  40     104.097 160.315  37.384  1.00 32.94           O  
-ATOM   8616  OE2 GLU F  40     106.225 160.147  38.042  1.00 33.63           O  
-ATOM   8617  N   VAL F  41     106.291 164.282  34.512  1.00 21.22           N  
-ATOM   8618  CA  VAL F  41     106.666 164.213  33.127  1.00 20.82           C  
-ATOM   8619  C   VAL F  41     107.736 163.126  33.060  1.00 20.45           C  
-ATOM   8620  O   VAL F  41     108.565 163.026  33.958  1.00 19.66           O  
-ATOM   8621  CB  VAL F  41     107.146 165.611  32.675  1.00 20.90           C  
-ATOM   8622  CG1 VAL F  41     108.231 165.548  31.665  1.00 20.89           C  
-ATOM   8623  CG2 VAL F  41     105.967 166.433  32.171  1.00 20.70           C  
-ATOM   8624  N   ASN F  42     107.673 162.289  32.029  1.00 20.31           N  
-ATOM   8625  CA  ASN F  42     108.659 161.228  31.838  1.00 20.37           C  
-ATOM   8626  C   ASN F  42     109.066 161.236  30.374  1.00 20.69           C  
-ATOM   8627  O   ASN F  42     108.291 160.848  29.493  1.00 20.62           O  
-ATOM   8628  CB  ASN F  42     108.091 159.871  32.270  1.00 20.39           C  
-ATOM   8629  CG  ASN F  42     109.142 158.773  32.330  1.00 20.74           C  
-ATOM   8630  OD1 ASN F  42     109.991 158.673  31.455  1.00 21.42           O  
-ATOM   8631  ND2 ASN F  42     109.061 157.921  33.343  1.00 19.23           N  
-ATOM   8632  N   GLU F  43     110.285 161.692  30.115  1.00 21.19           N  
-ATOM   8633  CA  GLU F  43     110.795 161.811  28.754  1.00 21.93           C  
-ATOM   8634  C   GLU F  43     111.195 160.449  28.138  1.00 21.90           C  
-ATOM   8635  O   GLU F  43     111.253 160.306  26.917  1.00 21.44           O  
-ATOM   8636  CB  GLU F  43     111.973 162.807  28.719  1.00 22.50           C  
-ATOM   8637  CG  GLU F  43     112.031 163.633  27.434  1.00 24.31           C  
-ATOM   8638  CD  GLU F  43     113.222 164.581  27.367  1.00 27.32           C  
-ATOM   8639  OE1 GLU F  43     113.609 165.127  28.427  1.00 28.81           O  
-ATOM   8640  OE2 GLU F  43     113.782 164.778  26.250  1.00 27.54           O  
-ATOM   8641  N   ILE F  44     111.460 159.453  28.989  1.00 21.91           N  
-ATOM   8642  CA  ILE F  44     111.717 158.094  28.508  1.00 21.95           C  
-ATOM   8643  C   ILE F  44     110.439 157.421  27.985  1.00 21.57           C  
-ATOM   8644  O   ILE F  44     110.447 156.889  26.887  1.00 21.54           O  
-ATOM   8645  CB  ILE F  44     112.400 157.213  29.596  1.00 22.41           C  
-ATOM   8646  CG1 ILE F  44     113.673 157.879  30.154  1.00 22.92           C  
-ATOM   8647  CG2 ILE F  44     112.702 155.803  29.055  1.00 22.49           C  
-ATOM   8648  CD1 ILE F  44     114.699 158.228  29.123  1.00 24.16           C  
-ATOM   8649  N   THR F  45     109.354 157.473  28.764  1.00 20.99           N  
-ATOM   8650  CA  THR F  45     108.109 156.776  28.427  1.00 20.43           C  
-ATOM   8651  C   THR F  45     107.144 157.640  27.629  1.00 19.83           C  
-ATOM   8652  O   THR F  45     106.156 157.143  27.128  1.00 19.91           O  
-ATOM   8653  CB  THR F  45     107.388 156.236  29.707  1.00 20.50           C  
-ATOM   8654  OG1 THR F  45     107.006 157.337  30.540  1.00 20.78           O  
-ATOM   8655  CG2 THR F  45     108.324 155.398  30.588  1.00 19.99           C  
-ATOM   8656  N   ASN F  46     107.435 158.931  27.518  1.00 19.35           N  
-ATOM   8657  CA  ASN F  46     106.549 159.884  26.846  1.00 18.75           C  
-ATOM   8658  C   ASN F  46     105.165 159.950  27.501  1.00 18.73           C  
-ATOM   8659  O   ASN F  46     104.129 159.792  26.856  1.00 18.19           O  
-ATOM   8660  CB  ASN F  46     106.461 159.579  25.347  1.00 18.41           C  
-ATOM   8661  CG  ASN F  46     107.519 160.325  24.525  1.00 18.28           C  
-ATOM   8662  OD1 ASN F  46     107.912 161.459  24.838  1.00 17.32           O  
-ATOM   8663  ND2 ASN F  46     107.968 159.699  23.476  1.00 15.18           N  
-ATOM   8664  N   GLU F  47     105.168 160.178  28.807  1.00 18.94           N  
-ATOM   8665  CA  GLU F  47     103.941 160.207  29.583  1.00 19.54           C  
-ATOM   8666  C   GLU F  47     103.929 161.458  30.446  1.00 19.70           C  
-ATOM   8667  O   GLU F  47     104.982 161.898  30.944  1.00 19.52           O  
-ATOM   8668  CB  GLU F  47     103.829 158.928  30.457  1.00 19.82           C  
-ATOM   8669  CG  GLU F  47     103.549 157.638  29.649  1.00 21.48           C  
-ATOM   8670  CD  GLU F  47     103.614 156.354  30.493  1.00 25.93           C  
-ATOM   8671  OE1 GLU F  47     103.337 156.421  31.726  1.00 27.81           O  
-ATOM   8672  OE2 GLU F  47     103.933 155.260  29.926  1.00 27.86           O  
-ATOM   8673  N   VAL F  48     102.750 162.031  30.623  1.00 19.49           N  
-ATOM   8674  CA  VAL F  48     102.595 163.239  31.437  1.00 20.19           C  
-ATOM   8675  C   VAL F  48     101.343 163.100  32.293  1.00 20.31           C  
-ATOM   8676  O   VAL F  48     100.332 162.525  31.839  1.00 20.01           O  
-ATOM   8677  CB  VAL F  48     102.483 164.556  30.571  1.00 20.19           C  
-ATOM   8678  CG1 VAL F  48     103.684 164.734  29.668  1.00 20.44           C  
-ATOM   8679  CG2 VAL F  48     101.226 164.578  29.739  1.00 20.55           C  
-ATOM   8680  N   ASP F  49     101.414 163.652  33.502  1.00 20.52           N  
-ATOM   8681  CA  ASP F  49     100.330 163.660  34.483  1.00 21.41           C  
-ATOM   8682  C   ASP F  49      99.947 165.136  34.623  1.00 21.06           C  
-ATOM   8683  O   ASP F  49     100.784 165.956  34.961  1.00 20.81           O  
-ATOM   8684  CB  ASP F  49     100.879 163.127  35.807  1.00 22.23           C  
-ATOM   8685  CG  ASP F  49      99.817 162.607  36.748  1.00 25.05           C  
-ATOM   8686  OD1 ASP F  49      98.616 162.846  36.510  1.00 29.15           O  
-ATOM   8687  OD2 ASP F  49     100.095 161.940  37.780  1.00 28.59           O  
-ATOM   8688  N   VAL F  50      98.703 165.478  34.325  1.00 20.67           N  
-ATOM   8689  CA  VAL F  50      98.287 166.877  34.256  1.00 20.69           C  
-ATOM   8690  C   VAL F  50      96.946 167.122  34.982  1.00 19.64           C  
-ATOM   8691  O   VAL F  50      96.119 166.228  35.099  1.00 19.06           O  
-ATOM   8692  CB  VAL F  50      98.123 167.317  32.747  1.00 21.25           C  
-ATOM   8693  CG1 VAL F  50      97.686 168.768  32.643  1.00 22.87           C  
-ATOM   8694  CG2 VAL F  50      99.394 167.167  31.993  1.00 22.33           C  
-ATOM   8695  N   VAL F  51      96.729 168.359  35.421  1.00 18.92           N  
-ATOM   8696  CA  VAL F  51      95.470 168.779  35.996  1.00 17.37           C  
-ATOM   8697  C   VAL F  51      94.977 169.923  35.151  1.00 17.53           C  
-ATOM   8698  O   VAL F  51      95.691 170.949  35.003  1.00 16.93           O  
-ATOM   8699  CB  VAL F  51      95.640 169.232  37.462  1.00 17.84           C  
-ATOM   8700  CG1 VAL F  51      94.317 169.771  38.027  1.00 17.37           C  
-ATOM   8701  CG2 VAL F  51      96.161 168.114  38.313  1.00 17.15           C  
-ATOM   8702  N   PHE F  52      93.774 169.757  34.575  1.00 17.39           N  
-ATOM   8703  CA  PHE F  52      93.130 170.820  33.812  1.00 17.71           C  
-ATOM   8704  C   PHE F  52      91.641 171.012  34.173  1.00 18.33           C  
-ATOM   8705  O   PHE F  52      90.973 170.052  34.628  1.00 17.75           O  
-ATOM   8706  CB  PHE F  52      93.245 170.528  32.327  1.00 18.69           C  
-ATOM   8707  CG  PHE F  52      92.773 169.133  31.946  1.00 18.74           C  
-ATOM   8708  CD1 PHE F  52      93.607 168.036  32.116  1.00 19.65           C  
-ATOM   8709  CD2 PHE F  52      91.495 168.929  31.431  1.00 19.01           C  
-ATOM   8710  CE1 PHE F  52      93.179 166.711  31.781  1.00 20.36           C  
-ATOM   8711  CE2 PHE F  52      91.045 167.626  31.080  1.00 19.33           C  
-ATOM   8712  CZ  PHE F  52      91.884 166.515  31.260  1.00 19.71           C  
-ATOM   8713  N   TRP F  53      91.133 172.241  33.974  1.00 16.81           N  
-ATOM   8714  CA  TRP F  53      89.701 172.488  34.020  1.00 17.44           C  
-ATOM   8715  C   TRP F  53      89.152 172.249  32.603  1.00 18.22           C  
-ATOM   8716  O   TRP F  53      89.593 172.868  31.637  1.00 18.21           O  
-ATOM   8717  CB  TRP F  53      89.343 173.898  34.507  1.00 16.65           C  
-ATOM   8718  CG  TRP F  53      89.833 174.230  35.861  1.00 16.27           C  
-ATOM   8719  CD1 TRP F  53      90.294 173.354  36.807  1.00 16.63           C  
-ATOM   8720  CD2 TRP F  53      89.940 175.525  36.430  1.00 16.30           C  
-ATOM   8721  NE1 TRP F  53      90.680 174.028  37.932  1.00 16.92           N  
-ATOM   8722  CE2 TRP F  53      90.471 175.371  37.728  1.00 17.02           C  
-ATOM   8723  CE3 TRP F  53      89.653 176.813  35.973  1.00 18.29           C  
-ATOM   8724  CZ2 TRP F  53      90.704 176.446  38.575  1.00 18.76           C  
-ATOM   8725  CZ3 TRP F  53      89.908 177.900  36.825  1.00 19.55           C  
-ATOM   8726  CH2 TRP F  53      90.433 177.704  38.102  1.00 19.37           C  
-ATOM   8727  N   GLN F  54      88.204 171.337  32.469  1.00 18.72           N  
-ATOM   8728  CA  GLN F  54      87.714 171.019  31.137  1.00 19.84           C  
-ATOM   8729  C   GLN F  54      86.426 171.777  30.906  1.00 19.71           C  
-ATOM   8730  O   GLN F  54      85.341 171.305  31.256  1.00 19.59           O  
-ATOM   8731  CB  GLN F  54      87.527 169.500  30.976  1.00 19.95           C  
-ATOM   8732  CG  GLN F  54      87.057 169.059  29.592  1.00 22.89           C  
-ATOM   8733  CD  GLN F  54      87.100 167.523  29.466  1.00 27.93           C  
-ATOM   8734  OE1 GLN F  54      88.174 166.917  29.440  1.00 29.21           O  
-ATOM   8735  NE2 GLN F  54      85.939 166.907  29.441  1.00 29.43           N  
-ATOM   8736  N   GLN F  55      86.558 172.968  30.339  1.00 19.43           N  
-ATOM   8737  CA  GLN F  55      85.448 173.867  30.212  1.00 20.01           C  
-ATOM   8738  C   GLN F  55      84.573 173.396  29.056  1.00 20.08           C  
-ATOM   8739  O   GLN F  55      84.986 173.433  27.911  1.00 20.09           O  
-ATOM   8740  CB  GLN F  55      85.926 175.321  29.994  1.00 19.76           C  
-ATOM   8741  CG  GLN F  55      84.801 176.249  29.727  1.00 22.03           C  
-ATOM   8742  CD  GLN F  55      85.243 177.689  29.437  1.00 26.53           C  
-ATOM   8743  OE1 GLN F  55      86.351 178.090  29.761  1.00 28.58           O  
-ATOM   8744  NE2 GLN F  55      84.351 178.465  28.858  1.00 27.03           N  
-ATOM   8745  N   THR F  56      83.350 172.991  29.361  1.00 19.64           N  
-ATOM   8746  CA  THR F  56      82.496 172.337  28.391  1.00 19.91           C  
-ATOM   8747  C   THR F  56      81.155 173.008  28.356  1.00 19.88           C  
-ATOM   8748  O   THR F  56      80.526 173.254  29.407  1.00 19.85           O  
-ATOM   8749  CB  THR F  56      82.309 170.843  28.753  1.00 20.21           C  
-ATOM   8750  OG1 THR F  56      83.548 170.322  29.231  1.00 22.02           O  
-ATOM   8751  CG2 THR F  56      82.055 170.052  27.525  1.00 19.84           C  
-ATOM   8752  N   THR F  57      80.710 173.290  27.143  1.00 18.96           N  
-ATOM   8753  CA  THR F  57      79.608 174.185  26.938  1.00 19.52           C  
-ATOM   8754  C   THR F  57      78.701 173.632  25.827  1.00 18.89           C  
-ATOM   8755  O   THR F  57      79.184 173.065  24.835  1.00 18.87           O  
-ATOM   8756  CB  THR F  57      80.206 175.582  26.605  1.00 20.41           C  
-ATOM   8757  OG1 THR F  57      79.968 176.489  27.698  1.00 22.63           O  
-ATOM   8758  CG2 THR F  57      79.570 176.228  25.414  1.00 21.38           C  
-ATOM   8759  N   TRP F  58      77.389 173.737  26.012  1.00 17.68           N  
-ATOM   8760  CA  TRP F  58      76.436 173.293  24.987  1.00 17.65           C  
-ATOM   8761  C   TRP F  58      75.065 173.761  25.342  1.00 17.48           C  
-ATOM   8762  O   TRP F  58      74.783 174.156  26.462  1.00 17.55           O  
-ATOM   8763  CB  TRP F  58      76.404 171.740  24.834  1.00 16.43           C  
-ATOM   8764  CG  TRP F  58      75.826 171.040  25.988  1.00 16.58           C  
-ATOM   8765  CD1 TRP F  58      74.536 170.641  26.132  1.00 16.41           C  
-ATOM   8766  CD2 TRP F  58      76.520 170.601  27.185  1.00 15.40           C  
-ATOM   8767  NE1 TRP F  58      74.369 169.988  27.329  1.00 15.84           N  
-ATOM   8768  CE2 TRP F  58      75.566 169.962  28.006  1.00 14.29           C  
-ATOM   8769  CE3 TRP F  58      77.846 170.709  27.645  1.00 14.07           C  
-ATOM   8770  CZ2 TRP F  58      75.882 169.428  29.267  1.00 14.55           C  
-ATOM   8771  CZ3 TRP F  58      78.174 170.175  28.877  1.00 14.72           C  
-ATOM   8772  CH2 TRP F  58      77.193 169.532  29.690  1.00 15.57           C  
-ATOM   8773  N   SER F  59      74.169 173.577  24.407  1.00 18.08           N  
-ATOM   8774  CA  SER F  59      72.802 174.023  24.595  1.00 19.38           C  
-ATOM   8775  C   SER F  59      71.809 172.852  24.650  1.00 18.96           C  
-ATOM   8776  O   SER F  59      71.913 171.933  23.864  1.00 18.77           O  
-ATOM   8777  CB  SER F  59      72.452 174.984  23.454  1.00 19.13           C  
-ATOM   8778  OG  SER F  59      71.068 174.893  23.173  1.00 22.74           O  
-ATOM   8779  N   ASP F  60      70.867 172.901  25.589  1.00 19.43           N  
-ATOM   8780  CA  ASP F  60      69.832 171.889  25.730  1.00 19.66           C  
-ATOM   8781  C   ASP F  60      68.555 172.631  26.027  1.00 19.80           C  
-ATOM   8782  O   ASP F  60      68.305 173.027  27.163  1.00 19.43           O  
-ATOM   8783  CB  ASP F  60      70.177 170.926  26.880  1.00 20.07           C  
-ATOM   8784  CG  ASP F  60      69.206 169.753  26.992  1.00 22.37           C  
-ATOM   8785  OD1 ASP F  60      68.072 169.817  26.437  1.00 22.00           O  
-ATOM   8786  OD2 ASP F  60      69.520 168.711  27.618  1.00 24.49           O  
-ATOM   8787  N   ARG F  61      67.736 172.852  25.010  1.00 20.19           N  
-ATOM   8788  CA  ARG F  61      66.541 173.655  25.214  1.00 21.21           C  
-ATOM   8789  C   ARG F  61      65.424 172.933  25.949  1.00 20.91           C  
-ATOM   8790  O   ARG F  61      64.450 173.573  26.304  1.00 21.09           O  
-ATOM   8791  CB  ARG F  61      66.025 174.289  23.904  1.00 21.83           C  
-ATOM   8792  CG  ARG F  61      67.102 174.913  23.009  1.00 24.22           C  
-ATOM   8793  CD  ARG F  61      67.262 176.439  23.140  1.00 30.72           C  
-ATOM   8794  NE  ARG F  61      67.087 177.133  21.852  1.00 35.06           N  
-ATOM   8795  CZ  ARG F  61      68.078 177.480  21.019  1.00 36.55           C  
-ATOM   8796  NH1 ARG F  61      69.347 177.199  21.323  1.00 38.15           N  
-ATOM   8797  NH2 ARG F  61      67.794 178.103  19.872  1.00 37.31           N  
-ATOM   8798  N   THR F  62      65.555 171.623  26.199  1.00 20.94           N  
-ATOM   8799  CA  THR F  62      64.567 170.921  27.034  1.00 21.17           C  
-ATOM   8800  C   THR F  62      64.697 171.345  28.500  1.00 20.70           C  
-ATOM   8801  O   THR F  62      63.824 171.072  29.295  1.00 20.79           O  
-ATOM   8802  CB  THR F  62      64.653 169.371  26.912  1.00 21.56           C  
-ATOM   8803  OG1 THR F  62      65.931 168.896  27.375  1.00 23.03           O  
-ATOM   8804  CG2 THR F  62      64.564 168.887  25.434  1.00 22.11           C  
-ATOM   8805  N   LEU F  63      65.811 171.992  28.845  1.00 20.02           N  
-ATOM   8806  CA  LEU F  63      66.067 172.467  30.180  1.00 19.59           C  
-ATOM   8807  C   LEU F  63      65.491 173.881  30.439  1.00 19.77           C  
-ATOM   8808  O   LEU F  63      65.324 174.292  31.598  1.00 19.87           O  
-ATOM   8809  CB  LEU F  63      67.553 172.461  30.454  1.00 19.33           C  
-ATOM   8810  CG  LEU F  63      68.345 171.160  30.368  1.00 20.61           C  
-ATOM   8811  CD1 LEU F  63      69.802 171.474  30.685  1.00 18.88           C  
-ATOM   8812  CD2 LEU F  63      67.803 170.107  31.318  1.00 19.51           C  
-ATOM   8813  N   ALA F  64      65.172 174.594  29.364  1.00 19.20           N  
-ATOM   8814  CA  ALA F  64      64.798 176.002  29.418  1.00 19.07           C  
-ATOM   8815  C   ALA F  64      63.548 176.261  30.254  1.00 19.15           C  
-ATOM   8816  O   ALA F  64      62.599 175.465  30.287  1.00 18.97           O  
-ATOM   8817  CB  ALA F  64      64.567 176.551  27.995  1.00 18.86           C  
-ATOM   8818  N   TRP F  65      63.543 177.416  30.903  1.00 18.89           N  
-ATOM   8819  CA  TRP F  65      62.373 177.845  31.619  1.00 18.71           C  
-ATOM   8820  C   TRP F  65      62.215 179.356  31.478  1.00 19.48           C  
-ATOM   8821  O   TRP F  65      63.180 180.065  31.180  1.00 18.95           O  
-ATOM   8822  CB  TRP F  65      62.447 177.425  33.082  1.00 18.12           C  
-ATOM   8823  CG  TRP F  65      63.494 178.158  33.885  1.00 16.74           C  
-ATOM   8824  CD1 TRP F  65      63.325 179.336  34.589  1.00 15.34           C  
-ATOM   8825  CD2 TRP F  65      64.857 177.772  34.076  1.00 14.03           C  
-ATOM   8826  NE1 TRP F  65      64.502 179.688  35.199  1.00 13.70           N  
-ATOM   8827  CE2 TRP F  65      65.461 178.748  34.894  1.00 13.34           C  
-ATOM   8828  CE3 TRP F  65      65.644 176.711  33.615  1.00 13.42           C  
-ATOM   8829  CZ2 TRP F  65      66.802 178.690  35.261  1.00 12.01           C  
-ATOM   8830  CZ3 TRP F  65      66.988 176.654  33.994  1.00 12.58           C  
-ATOM   8831  CH2 TRP F  65      67.537 177.631  34.809  1.00 12.07           C  
-ATOM   8832  N   ASN F  66      60.981 179.822  31.665  1.00 19.87           N  
-ATOM   8833  CA  ASN F  66      60.681 181.250  31.661  1.00 20.98           C  
-ATOM   8834  C   ASN F  66      61.202 181.941  32.920  1.00 20.91           C  
-ATOM   8835  O   ASN F  66      60.747 181.658  34.030  1.00 20.89           O  
-ATOM   8836  CB  ASN F  66      59.171 181.472  31.525  1.00 21.24           C  
-ATOM   8837  CG  ASN F  66      58.815 182.907  31.205  1.00 22.82           C  
-ATOM   8838  OD1 ASN F  66      59.514 183.843  31.607  1.00 23.21           O  
-ATOM   8839  ND2 ASN F  66      57.708 183.092  30.487  1.00 25.11           N  
-ATOM   8840  N   SER F  67      62.134 182.864  32.739  1.00 21.75           N  
-ATOM   8841  CA  SER F  67      62.720 183.566  33.882  1.00 22.78           C  
-ATOM   8842  C   SER F  67      62.535 185.074  33.873  1.00 23.33           C  
-ATOM   8843  O   SER F  67      63.375 185.798  34.414  1.00 23.77           O  
-ATOM   8844  CB  SER F  67      64.206 183.221  34.034  1.00 22.68           C  
-ATOM   8845  OG  SER F  67      64.925 183.599  32.875  1.00 23.08           O  
-ATOM   8846  N   SER F  68      61.429 185.550  33.295  1.00 24.43           N  
-ATOM   8847  CA  SER F  68      60.993 186.949  33.467  1.00 24.79           C  
-ATOM   8848  C   SER F  68      60.903 187.352  34.952  1.00 25.05           C  
-ATOM   8849  O   SER F  68      61.281 188.460  35.330  1.00 25.10           O  
-ATOM   8850  CB  SER F  68      59.629 187.167  32.811  1.00 25.34           C  
-ATOM   8851  OG  SER F  68      58.709 186.174  33.242  1.00 25.77           O  
-ATOM   8852  N   HIS F  69      60.404 186.440  35.788  1.00 25.18           N  
-ATOM   8853  CA  HIS F  69      60.292 186.683  37.227  1.00 24.55           C  
-ATOM   8854  C   HIS F  69      60.808 185.502  38.053  1.00 24.04           C  
-ATOM   8855  O   HIS F  69      60.151 185.103  39.021  1.00 24.28           O  
-ATOM   8856  CB  HIS F  69      58.841 186.986  37.590  1.00 24.66           C  
-ATOM   8857  CG  HIS F  69      58.328 188.259  37.000  1.00 26.02           C  
-ATOM   8858  ND1 HIS F  69      59.046 189.438  37.038  1.00 27.50           N  
-ATOM   8859  CD2 HIS F  69      57.171 188.542  36.352  1.00 27.06           C  
-ATOM   8860  CE1 HIS F  69      58.351 190.392  36.438  1.00 28.36           C  
-ATOM   8861  NE2 HIS F  69      57.206 189.876  36.021  1.00 27.21           N  
-ATOM   8862  N   SER F  70      61.973 184.959  37.672  1.00 22.52           N  
-ATOM   8863  CA  SER F  70      62.605 183.837  38.365  1.00 21.97           C  
-ATOM   8864  C   SER F  70      64.138 183.923  38.269  1.00 21.61           C  
-ATOM   8865  O   SER F  70      64.650 184.613  37.400  1.00 21.23           O  
-ATOM   8866  CB  SER F  70      62.113 182.517  37.751  1.00 22.12           C  
-ATOM   8867  OG  SER F  70      60.703 182.412  37.830  1.00 22.38           O  
-ATOM   8868  N   PRO F  71      64.872 183.204  39.135  1.00 21.53           N  
-ATOM   8869  CA  PRO F  71      66.321 183.015  38.948  1.00 21.26           C  
-ATOM   8870  C   PRO F  71      66.605 182.511  37.536  1.00 20.75           C  
-ATOM   8871  O   PRO F  71      65.844 181.704  37.022  1.00 20.21           O  
-ATOM   8872  CB  PRO F  71      66.655 181.921  39.952  1.00 21.27           C  
-ATOM   8873  CG  PRO F  71      65.623 182.061  41.007  1.00 21.33           C  
-ATOM   8874  CD  PRO F  71      64.389 182.512  40.350  1.00 21.57           C  
-ATOM   8875  N   ASP F  72      67.654 183.012  36.909  1.00 20.49           N  
-ATOM   8876  CA  ASP F  72      67.898 182.659  35.524  1.00 21.36           C  
-ATOM   8877  C   ASP F  72      69.029 181.617  35.349  1.00 20.12           C  
-ATOM   8878  O   ASP F  72      69.323 181.234  34.229  1.00 20.01           O  
-ATOM   8879  CB  ASP F  72      68.105 183.918  34.657  1.00 22.47           C  
-ATOM   8880  CG  ASP F  72      69.498 184.463  34.767  1.00 26.33           C  
-ATOM   8881  OD1 ASP F  72      70.011 184.517  35.903  1.00 29.84           O  
-ATOM   8882  OD2 ASP F  72      70.183 184.814  33.774  1.00 31.68           O  
-ATOM   8883  N   GLN F  73      69.632 181.179  36.464  1.00 18.69           N  
-ATOM   8884  CA  GLN F  73      70.674 180.133  36.478  1.00 17.78           C  
-ATOM   8885  C   GLN F  73      70.555 179.271  37.728  1.00 16.52           C  
-ATOM   8886  O   GLN F  73      70.273 179.782  38.820  1.00 15.87           O  
-ATOM   8887  CB  GLN F  73      72.067 180.748  36.493  1.00 17.73           C  
-ATOM   8888  CG  GLN F  73      72.522 181.294  35.188  1.00 20.52           C  
-ATOM   8889  CD  GLN F  73      73.965 181.692  35.191  1.00 22.53           C  
-ATOM   8890  OE1 GLN F  73      74.815 180.962  35.693  1.00 24.24           O  
-ATOM   8891  NE2 GLN F  73      74.258 182.870  34.634  1.00 20.35           N  
-ATOM   8892  N   VAL F  74      70.790 177.977  37.575  1.00 15.06           N  
-ATOM   8893  CA  VAL F  74      70.896 177.070  38.710  1.00 14.53           C  
-ATOM   8894  C   VAL F  74      72.068 176.109  38.562  1.00 14.85           C  
-ATOM   8895  O   VAL F  74      72.534 175.871  37.447  1.00 14.68           O  
-ATOM   8896  CB  VAL F  74      69.595 176.248  38.894  1.00 14.75           C  
-ATOM   8897  CG1 VAL F  74      68.437 177.123  39.323  1.00 13.41           C  
-ATOM   8898  CG2 VAL F  74      69.261 175.448  37.619  1.00 12.50           C  
-ATOM   8899  N   SER F  75      72.562 175.572  39.673  1.00 14.56           N  
-ATOM   8900  CA  SER F  75      73.530 174.486  39.615  1.00 15.17           C  
-ATOM   8901  C   SER F  75      72.788 173.158  39.697  1.00 15.67           C  
-ATOM   8902  O   SER F  75      71.923 172.983  40.563  1.00 16.03           O  
-ATOM   8903  CB  SER F  75      74.513 174.567  40.777  1.00 15.38           C  
-ATOM   8904  OG  SER F  75      75.318 175.723  40.659  1.00 15.19           O  
-ATOM   8905  N   VAL F  76      73.134 172.229  38.812  1.00 15.71           N  
-ATOM   8906  CA  VAL F  76      72.411 170.977  38.652  1.00 15.79           C  
-ATOM   8907  C   VAL F  76      73.386 169.798  38.635  1.00 16.14           C  
-ATOM   8908  O   VAL F  76      74.381 169.853  37.909  1.00 15.45           O  
-ATOM   8909  CB  VAL F  76      71.629 170.980  37.308  1.00 16.24           C  
-ATOM   8910  CG1 VAL F  76      70.772 169.694  37.147  1.00 15.08           C  
-ATOM   8911  CG2 VAL F  76      70.748 172.209  37.194  1.00 14.76           C  
-ATOM   8912  N   PRO F  77      73.129 168.743  39.423  1.00 16.92           N  
-ATOM   8913  CA  PRO F  77      74.011 167.554  39.412  1.00 17.10           C  
-ATOM   8914  C   PRO F  77      74.056 167.033  37.965  1.00 17.35           C  
-ATOM   8915  O   PRO F  77      73.017 167.022  37.326  1.00 17.00           O  
-ATOM   8916  CB  PRO F  77      73.289 166.543  40.322  1.00 17.35           C  
-ATOM   8917  CG  PRO F  77      72.301 167.314  41.117  1.00 17.86           C  
-ATOM   8918  CD  PRO F  77      72.012 168.608  40.384  1.00 17.17           C  
-ATOM   8919  N   ILE F  78      75.212 166.651  37.434  1.00 18.14           N  
-ATOM   8920  CA  ILE F  78      75.240 166.133  36.037  1.00 19.41           C  
-ATOM   8921  C   ILE F  78      74.443 164.845  35.854  1.00 19.87           C  
-ATOM   8922  O   ILE F  78      74.080 164.500  34.733  1.00 20.02           O  
-ATOM   8923  CB  ILE F  78      76.680 165.965  35.505  1.00 19.65           C  
-ATOM   8924  CG1 ILE F  78      77.431 164.857  36.297  1.00 20.72           C  
-ATOM   8925  CG2 ILE F  78      77.404 167.275  35.533  1.00 18.75           C  
-ATOM   8926  CD1 ILE F  78      78.727 164.369  35.588  1.00 23.42           C  
-ATOM   8927  N   SER F  79      74.177 164.122  36.950  1.00 20.23           N  
-ATOM   8928  CA  SER F  79      73.346 162.911  36.863  1.00 21.10           C  
-ATOM   8929  C   SER F  79      71.914 163.228  36.413  1.00 21.28           C  
-ATOM   8930  O   SER F  79      71.204 162.339  35.915  1.00 20.70           O  
-ATOM   8931  CB  SER F  79      73.324 162.159  38.200  1.00 22.11           C  
-ATOM   8932  OG  SER F  79      72.631 162.866  39.241  1.00 24.43           O  
-ATOM   8933  N   SER F  80      71.496 164.495  36.587  1.00 20.60           N  
-ATOM   8934  CA  SER F  80      70.184 164.938  36.126  1.00 20.90           C  
-ATOM   8935  C   SER F  80      70.196 165.557  34.736  1.00 20.26           C  
-ATOM   8936  O   SER F  80      69.165 165.996  34.277  1.00 20.82           O  
-ATOM   8937  CB  SER F  80      69.585 165.956  37.100  1.00 20.88           C  
-ATOM   8938  OG  SER F  80      69.291 165.338  38.325  1.00 24.00           O  
-ATOM   8939  N   LEU F  81      71.347 165.608  34.083  1.00 19.68           N  
-ATOM   8940  CA  LEU F  81      71.471 166.244  32.767  1.00 19.55           C  
-ATOM   8941  C   LEU F  81      72.091 165.299  31.760  1.00 18.69           C  
-ATOM   8942  O   LEU F  81      72.907 164.464  32.135  1.00 18.06           O  
-ATOM   8943  CB  LEU F  81      72.462 167.403  32.872  1.00 20.45           C  
-ATOM   8944  CG  LEU F  81      72.167 168.601  33.739  1.00 21.92           C  
-ATOM   8945  CD1 LEU F  81      73.246 169.664  33.552  1.00 22.56           C  
-ATOM   8946  CD2 LEU F  81      70.818 169.109  33.329  1.00 24.15           C  
-ATOM   8947  N   TRP F  82      71.778 165.479  30.484  1.00 17.79           N  
-ATOM   8948  CA  TRP F  82      72.608 164.888  29.442  1.00 17.54           C  
-ATOM   8949  C   TRP F  82      73.920 165.658  29.388  1.00 17.93           C  
-ATOM   8950  O   TRP F  82      73.934 166.917  29.478  1.00 17.96           O  
-ATOM   8951  CB  TRP F  82      71.937 164.922  28.073  1.00 16.78           C  
-ATOM   8952  CG  TRP F  82      72.842 164.391  26.948  1.00 17.35           C  
-ATOM   8953  CD1 TRP F  82      72.967 163.099  26.543  1.00 15.98           C  
-ATOM   8954  CD2 TRP F  82      73.719 165.157  26.114  1.00 16.16           C  
-ATOM   8955  NE1 TRP F  82      73.851 163.007  25.502  1.00 16.46           N  
-ATOM   8956  CE2 TRP F  82      74.343 164.255  25.226  1.00 17.15           C  
-ATOM   8957  CE3 TRP F  82      74.057 166.515  26.042  1.00 15.41           C  
-ATOM   8958  CZ2 TRP F  82      75.270 164.662  24.265  1.00 15.15           C  
-ATOM   8959  CZ3 TRP F  82      74.959 166.932  25.055  1.00 15.78           C  
-ATOM   8960  CH2 TRP F  82      75.560 166.012  24.186  1.00 16.11           C  
-ATOM   8961  N   VAL F  83      75.008 164.917  29.213  1.00 17.88           N  
-ATOM   8962  CA  VAL F  83      76.352 165.492  29.174  1.00 18.41           C  
-ATOM   8963  C   VAL F  83      77.083 164.811  27.994  1.00 18.58           C  
-ATOM   8964  O   VAL F  83      76.961 163.613  27.808  1.00 18.52           O  
-ATOM   8965  CB  VAL F  83      77.084 165.268  30.510  1.00 19.00           C  
-ATOM   8966  CG1 VAL F  83      78.566 165.444  30.359  1.00 21.12           C  
-ATOM   8967  CG2 VAL F  83      76.573 166.222  31.609  1.00 19.20           C  
-ATOM   8968  N   PRO F  84      77.805 165.567  27.186  1.00 18.51           N  
-ATOM   8969  CA  PRO F  84      78.519 164.986  26.032  1.00 18.81           C  
-ATOM   8970  C   PRO F  84      79.509 163.890  26.457  1.00 18.52           C  
-ATOM   8971  O   PRO F  84      80.161 164.022  27.500  1.00 17.74           O  
-ATOM   8972  CB  PRO F  84      79.280 166.187  25.409  1.00 18.82           C  
-ATOM   8973  CG  PRO F  84      78.953 167.380  26.229  1.00 19.13           C  
-ATOM   8974  CD  PRO F  84      78.006 167.026  27.319  1.00 18.63           C  
-ATOM   8975  N   ASP F  85      79.605 162.814  25.662  1.00 17.87           N  
-ATOM   8976  CA  ASP F  85      80.389 161.636  26.091  1.00 17.72           C  
-ATOM   8977  C   ASP F  85      81.843 161.819  25.631  1.00 17.46           C  
-ATOM   8978  O   ASP F  85      82.370 161.033  24.829  1.00 17.15           O  
-ATOM   8979  CB  ASP F  85      79.764 160.344  25.500  1.00 17.35           C  
-ATOM   8980  CG  ASP F  85      79.731 160.370  24.002  1.00 19.39           C  
-ATOM   8981  OD1 ASP F  85      79.715 161.518  23.420  1.00 18.62           O  
-ATOM   8982  OD2 ASP F  85      79.775 159.311  23.329  1.00 20.20           O  
-ATOM   8983  N   LEU F  86      82.467 162.897  26.084  1.00 17.07           N  
-ATOM   8984  CA  LEU F  86      83.801 163.249  25.625  1.00 17.02           C  
-ATOM   8985  C   LEU F  86      84.878 162.360  26.206  1.00 17.38           C  
-ATOM   8986  O   LEU F  86      84.832 161.964  27.382  1.00 17.68           O  
-ATOM   8987  CB  LEU F  86      84.110 164.701  25.976  1.00 16.99           C  
-ATOM   8988  CG  LEU F  86      83.219 165.744  25.306  1.00 16.83           C  
-ATOM   8989  CD1 LEU F  86      83.694 167.132  25.774  1.00 17.49           C  
-ATOM   8990  CD2 LEU F  86      83.233 165.610  23.795  1.00 15.42           C  
-ATOM   8991  N   ALA F  87      85.873 162.058  25.397  1.00 16.87           N  
-ATOM   8992  CA  ALA F  87      86.988 161.239  25.882  1.00 17.46           C  
-ATOM   8993  C   ALA F  87      88.289 161.750  25.336  1.00 17.56           C  
-ATOM   8994  O   ALA F  87      88.352 162.282  24.208  1.00 17.70           O  
-ATOM   8995  CB  ALA F  87      86.777 159.764  25.496  1.00 17.10           C  
-ATOM   8996  N   ALA F  88      89.350 161.632  26.116  1.00 17.81           N  
-ATOM   8997  CA  ALA F  88      90.687 161.993  25.583  1.00 17.47           C  
-ATOM   8998  C   ALA F  88      91.245 160.729  24.992  1.00 17.47           C  
-ATOM   8999  O   ALA F  88      91.401 159.739  25.737  1.00 17.46           O  
-ATOM   9000  CB  ALA F  88      91.593 162.507  26.687  1.00 17.32           C  
-ATOM   9001  N   TYR F  89      91.549 160.745  23.695  1.00 16.84           N  
-ATOM   9002  CA  TYR F  89      91.963 159.518  22.948  1.00 17.30           C  
-ATOM   9003  C   TYR F  89      93.348 158.992  23.286  1.00 17.29           C  
-ATOM   9004  O   TYR F  89      93.620 157.814  23.077  1.00 17.69           O  
-ATOM   9005  CB  TYR F  89      91.963 159.738  21.452  1.00 17.08           C  
-ATOM   9006  CG  TYR F  89      90.608 159.683  20.771  1.00 18.35           C  
-ATOM   9007  CD1 TYR F  89      89.587 160.556  21.129  1.00 18.77           C  
-ATOM   9008  CD2 TYR F  89      90.376 158.781  19.720  1.00 18.38           C  
-ATOM   9009  CE1 TYR F  89      88.352 160.541  20.462  1.00 21.50           C  
-ATOM   9010  CE2 TYR F  89      89.159 158.752  19.066  1.00 19.43           C  
-ATOM   9011  CZ  TYR F  89      88.141 159.636  19.438  1.00 22.51           C  
-ATOM   9012  OH  TYR F  89      86.896 159.636  18.800  1.00 24.51           O  
-ATOM   9013  N   ASN F  90      94.242 159.861  23.741  1.00 16.19           N  
-ATOM   9014  CA  ASN F  90      95.556 159.424  24.190  1.00 15.75           C  
-ATOM   9015  C   ASN F  90      95.715 159.354  25.738  1.00 15.49           C  
-ATOM   9016  O   ASN F  90      96.832 159.265  26.245  1.00 15.15           O  
-ATOM   9017  CB  ASN F  90      96.650 160.280  23.536  1.00 15.26           C  
-ATOM   9018  CG  ASN F  90      96.493 161.761  23.825  1.00 16.71           C  
-ATOM   9019  OD1 ASN F  90      95.346 162.276  23.851  1.00 17.24           O  
-ATOM   9020  ND2 ASN F  90      97.641 162.481  24.030  1.00 14.30           N  
-ATOM   9021  N   ALA F  91      94.607 159.410  26.472  1.00 14.95           N  
-ATOM   9022  CA  ALA F  91      94.633 159.182  27.922  1.00 15.41           C  
-ATOM   9023  C   ALA F  91      95.060 157.750  28.212  1.00 15.53           C  
-ATOM   9024  O   ALA F  91      94.711 156.802  27.485  1.00 15.00           O  
-ATOM   9025  CB  ALA F  91      93.281 159.452  28.549  1.00 15.24           C  
-ATOM   9026  N   ILE F  92      95.846 157.602  29.265  1.00 15.77           N  
-ATOM   9027  CA  ILE F  92      96.309 156.298  29.706  1.00 16.48           C  
-ATOM   9028  C   ILE F  92      95.896 156.057  31.146  1.00 17.03           C  
-ATOM   9029  O   ILE F  92      96.326 155.104  31.742  1.00 16.75           O  
-ATOM   9030  CB  ILE F  92      97.853 156.139  29.536  1.00 16.72           C  
-ATOM   9031  CG1 ILE F  92      98.615 157.221  30.336  1.00 16.47           C  
-ATOM   9032  CG2 ILE F  92      98.226 156.116  28.057  1.00 15.44           C  
-ATOM   9033  CD1 ILE F  92     100.142 157.053  30.400  1.00 15.78           C  
-ATOM   9034  N   SER F  93      95.074 156.952  31.693  1.00 17.60           N  
-ATOM   9035  CA  SER F  93      94.398 156.701  32.973  1.00 18.77           C  
-ATOM   9036  C   SER F  93      92.978 157.175  32.833  1.00 19.42           C  
-ATOM   9037  O   SER F  93      92.652 158.007  31.948  1.00 19.85           O  
-ATOM   9038  CB  SER F  93      95.099 157.422  34.138  1.00 18.64           C  
-ATOM   9039  OG  SER F  93      94.997 158.849  33.981  1.00 18.55           O  
-ATOM   9040  N   LYS F  94      92.124 156.654  33.687  1.00 20.91           N  
-ATOM   9041  CA  LYS F  94      90.730 157.070  33.693  1.00 22.91           C  
-ATOM   9042  C   LYS F  94      90.693 158.458  34.335  1.00 23.18           C  
-ATOM   9043  O   LYS F  94      91.469 158.733  35.243  1.00 22.18           O  
-ATOM   9044  CB  LYS F  94      89.817 156.014  34.384  1.00 23.35           C  
-ATOM   9045  CG  LYS F  94      90.132 155.666  35.819  1.00 26.36           C  
-ATOM   9046  CD  LYS F  94      88.882 155.118  36.552  1.00 30.82           C  
-ATOM   9047  CE  LYS F  94      87.676 154.956  35.613  1.00 32.15           C  
-ATOM   9048  NZ  LYS F  94      86.648 154.014  36.181  1.00 33.06           N  
-ATOM   9049  N   PRO F  95      89.878 159.365  33.789  1.00 24.30           N  
-ATOM   9050  CA  PRO F  95      89.850 160.757  34.274  1.00 23.78           C  
-ATOM   9051  C   PRO F  95      89.471 160.822  35.766  1.00 24.14           C  
-ATOM   9052  O   PRO F  95      88.475 160.217  36.172  1.00 23.82           O  
-ATOM   9053  CB  PRO F  95      88.781 161.421  33.406  1.00 24.02           C  
-ATOM   9054  CG  PRO F  95      87.969 160.258  32.769  1.00 24.22           C  
-ATOM   9055  CD  PRO F  95      88.943 159.130  32.674  1.00 24.05           C  
-ATOM   9056  N   GLU F  96      90.289 161.496  36.576  1.00 23.10           N  
-ATOM   9057  CA  GLU F  96      89.976 161.711  37.988  1.00 23.33           C  
-ATOM   9058  C   GLU F  96      89.330 163.122  38.112  1.00 22.06           C  
-ATOM   9059  O   GLU F  96      89.977 164.138  37.871  1.00 21.48           O  
-ATOM   9060  CB  GLU F  96      91.269 161.579  38.793  1.00 23.83           C  
-ATOM   9061  CG  GLU F  96      91.163 161.410  40.320  1.00 28.74           C  
-ATOM   9062  CD  GLU F  96      92.550 161.298  40.992  1.00 34.94           C  
-ATOM   9063  OE1 GLU F  96      93.472 160.776  40.313  1.00 37.95           O  
-ATOM   9064  OE2 GLU F  96      92.723 161.724  42.185  1.00 38.25           O  
-ATOM   9065  N   VAL F  97      88.038 163.154  38.424  1.00 20.92           N  
-ATOM   9066  CA  VAL F  97      87.333 164.404  38.675  1.00 19.98           C  
-ATOM   9067  C   VAL F  97      87.575 164.897  40.096  1.00 19.63           C  
-ATOM   9068  O   VAL F  97      87.236 164.217  41.060  1.00 18.89           O  
-ATOM   9069  CB  VAL F  97      85.823 164.260  38.399  1.00 20.32           C  
-ATOM   9070  CG1 VAL F  97      85.149 165.626  38.504  1.00 18.98           C  
-ATOM   9071  CG2 VAL F  97      85.570 163.625  36.924  1.00 19.29           C  
-ATOM   9072  N   LEU F  98      88.159 166.085  40.217  1.00 19.12           N  
-ATOM   9073  CA  LEU F  98      88.535 166.602  41.525  1.00 19.00           C  
-ATOM   9074  C   LEU F  98      87.469 167.479  42.175  1.00 18.87           C  
-ATOM   9075  O   LEU F  98      87.576 167.816  43.351  1.00 19.54           O  
-ATOM   9076  CB  LEU F  98      89.861 167.352  41.423  1.00 19.09           C  
-ATOM   9077  CG  LEU F  98      91.034 166.632  40.717  1.00 20.48           C  
-ATOM   9078  CD1 LEU F  98      92.259 167.554  40.565  1.00 19.26           C  
-ATOM   9079  CD2 LEU F  98      91.470 165.336  41.418  1.00 20.38           C  
-ATOM   9080  N   THR F  99      86.462 167.882  41.414  1.00 18.26           N  
-ATOM   9081  CA  THR F  99      85.516 168.863  41.898  1.00 18.09           C  
-ATOM   9082  C   THR F  99      84.105 168.298  42.005  1.00 18.37           C  
-ATOM   9083  O   THR F  99      83.832 167.240  41.419  1.00 18.47           O  
-ATOM   9084  CB  THR F  99      85.515 170.071  40.954  1.00 18.14           C  
-ATOM   9085  OG1 THR F  99      85.606 169.603  39.615  1.00 16.72           O  
-ATOM   9086  CG2 THR F  99      86.765 170.938  41.162  1.00 16.59           C  
-ATOM   9087  N   PRO F 100      83.204 168.982  42.742  1.00 18.86           N  
-ATOM   9088  CA  PRO F 100      81.773 168.598  42.760  1.00 18.35           C  
-ATOM   9089  C   PRO F 100      81.183 168.536  41.344  1.00 18.98           C  
-ATOM   9090  O   PRO F 100      81.366 169.437  40.521  1.00 18.48           O  
-ATOM   9091  CB  PRO F 100      81.127 169.708  43.563  1.00 18.72           C  
-ATOM   9092  CG  PRO F 100      82.252 170.206  44.486  1.00 19.04           C  
-ATOM   9093  CD  PRO F 100      83.478 170.146  43.625  1.00 18.25           C  
-ATOM   9094  N   GLN F 101      80.427 167.482  41.065  1.00 19.01           N  
-ATOM   9095  CA  GLN F 101      79.976 167.208  39.699  1.00 19.84           C  
-ATOM   9096  C   GLN F 101      78.642 167.903  39.397  1.00 19.34           C  
-ATOM   9097  O   GLN F 101      77.604 167.263  39.183  1.00 19.32           O  
-ATOM   9098  CB  GLN F 101      79.929 165.681  39.429  1.00 19.67           C  
-ATOM   9099  CG  GLN F 101      81.354 165.105  39.341  1.00 23.89           C  
-ATOM   9100  CD  GLN F 101      81.406 163.578  39.271  1.00 29.08           C  
-ATOM   9101  OE1 GLN F 101      80.743 162.984  38.436  1.00 31.66           O  
-ATOM   9102  NE2 GLN F 101      82.234 162.948  40.129  1.00 29.28           N  
-ATOM   9103  N   LEU F 102      78.704 169.227  39.380  1.00 19.18           N  
-ATOM   9104  CA  LEU F 102      77.570 170.097  39.151  1.00 17.94           C  
-ATOM   9105  C   LEU F 102      77.849 170.891  37.894  1.00 17.36           C  
-ATOM   9106  O   LEU F 102      78.998 171.317  37.650  1.00 16.71           O  
-ATOM   9107  CB  LEU F 102      77.430 171.042  40.334  1.00 18.40           C  
-ATOM   9108  CG  LEU F 102      77.216 170.454  41.738  1.00 20.78           C  
-ATOM   9109  CD1 LEU F 102      77.019 171.591  42.748  1.00 21.47           C  
-ATOM   9110  CD2 LEU F 102      75.998 169.549  41.777  1.00 20.44           C  
-ATOM   9111  N   ALA F 103      76.808 171.064  37.085  1.00 16.67           N  
-ATOM   9112  CA  ALA F 103      76.859 171.948  35.935  1.00 16.93           C  
-ATOM   9113  C   ALA F 103      76.030 173.190  36.233  1.00 17.06           C  
-ATOM   9114  O   ALA F 103      75.100 173.149  37.042  1.00 17.25           O  
-ATOM   9115  CB  ALA F 103      76.314 171.256  34.690  1.00 16.12           C  
-ATOM   9116  N   ARG F 104      76.332 174.261  35.523  1.00 16.18           N  
-ATOM   9117  CA  ARG F 104      75.572 175.476  35.645  1.00 16.41           C  
-ATOM   9118  C   ARG F 104      74.612 175.556  34.451  1.00 15.94           C  
-ATOM   9119  O   ARG F 104      75.026 175.450  33.307  1.00 15.58           O  
-ATOM   9120  CB  ARG F 104      76.520 176.656  35.695  1.00 16.27           C  
-ATOM   9121  CG  ARG F 104      75.948 177.886  36.247  1.00 17.97           C  
-ATOM   9122  CD  ARG F 104      75.827 177.932  37.748  1.00 17.80           C  
-ATOM   9123  NE  ARG F 104      75.173 179.201  38.067  1.00 16.92           N  
-ATOM   9124  CZ  ARG F 104      74.561 179.499  39.194  1.00 17.61           C  
-ATOM   9125  NH1 ARG F 104      74.482 178.600  40.170  1.00 14.38           N  
-ATOM   9126  NH2 ARG F 104      74.006 180.706  39.325  1.00 14.82           N  
-ATOM   9127  N   VAL F 105      73.320 175.716  34.734  1.00 15.56           N  
-ATOM   9128  CA  VAL F 105      72.316 175.740  33.680  1.00 14.98           C  
-ATOM   9129  C   VAL F 105      71.634 177.096  33.654  1.00 15.28           C  
-ATOM   9130  O   VAL F 105      71.111 177.519  34.672  1.00 14.86           O  
-ATOM   9131  CB  VAL F 105      71.273 174.620  33.886  1.00 15.17           C  
-ATOM   9132  CG1 VAL F 105      70.192 174.716  32.802  1.00 14.48           C  
-ATOM   9133  CG2 VAL F 105      71.968 173.243  33.832  1.00 14.65           C  
-ATOM   9134  N   VAL F 106      71.657 177.756  32.493  1.00 14.83           N  
-ATOM   9135  CA  VAL F 106      70.976 179.036  32.274  1.00 15.08           C  
-ATOM   9136  C   VAL F 106      69.545 178.815  31.749  1.00 15.00           C  
-ATOM   9137  O   VAL F 106      69.282 177.836  31.033  1.00 14.50           O  
-ATOM   9138  CB  VAL F 106      71.790 179.982  31.290  1.00 15.41           C  
-ATOM   9139  CG1 VAL F 106      71.187 181.377  31.213  1.00 13.86           C  
-ATOM   9140  CG2 VAL F 106      73.256 180.095  31.717  1.00 15.42           C  
-ATOM   9141  N   SER F 107      68.620 179.703  32.108  1.00 14.89           N  
-ATOM   9142  CA  SER F 107      67.198 179.557  31.716  1.00 15.65           C  
-ATOM   9143  C   SER F 107      66.896 179.435  30.214  1.00 16.22           C  
-ATOM   9144  O   SER F 107      65.786 179.038  29.841  1.00 16.19           O  
-ATOM   9145  CB  SER F 107      66.359 180.718  32.282  1.00 15.63           C  
-ATOM   9146  OG  SER F 107      66.660 181.939  31.633  1.00 15.31           O  
-ATOM   9147  N   ASP F 108      67.841 179.785  29.352  1.00 16.78           N  
-ATOM   9148  CA  ASP F 108      67.645 179.555  27.927  1.00 18.15           C  
-ATOM   9149  C   ASP F 108      68.103 178.140  27.478  1.00 18.07           C  
-ATOM   9150  O   ASP F 108      67.944 177.759  26.299  1.00 18.19           O  
-ATOM   9151  CB  ASP F 108      68.295 180.681  27.091  1.00 18.37           C  
-ATOM   9152  CG  ASP F 108      69.828 180.742  27.238  1.00 21.50           C  
-ATOM   9153  OD1 ASP F 108      70.438 179.933  27.982  1.00 23.71           O  
-ATOM   9154  OD2 ASP F 108      70.530 181.573  26.624  1.00 24.81           O  
-ATOM   9155  N   GLY F 109      68.668 177.377  28.413  1.00 17.89           N  
-ATOM   9156  CA  GLY F 109      69.122 176.036  28.134  1.00 17.72           C  
-ATOM   9157  C   GLY F 109      70.609 175.913  27.891  1.00 18.23           C  
-ATOM   9158  O   GLY F 109      71.080 174.816  27.537  1.00 18.38           O  
-ATOM   9159  N   GLU F 110      71.359 177.004  28.085  1.00 18.07           N  
-ATOM   9160  CA  GLU F 110      72.824 176.919  27.996  1.00 18.86           C  
-ATOM   9161  C   GLU F 110      73.391 176.218  29.216  1.00 18.02           C  
-ATOM   9162  O   GLU F 110      72.978 176.507  30.358  1.00 17.78           O  
-ATOM   9163  CB  GLU F 110      73.484 178.307  27.865  1.00 19.18           C  
-ATOM   9164  CG  GLU F 110      73.260 179.020  26.529  1.00 24.56           C  
-ATOM   9165  CD  GLU F 110      73.712 178.230  25.295  1.00 31.18           C  
-ATOM   9166  OE1 GLU F 110      74.878 177.731  25.237  1.00 33.29           O  
-ATOM   9167  OE2 GLU F 110      72.877 178.121  24.365  1.00 34.32           O  
-ATOM   9168  N   VAL F 111      74.348 175.320  28.987  1.00 17.05           N  
-ATOM   9169  CA  VAL F 111      74.945 174.563  30.082  1.00 16.20           C  
-ATOM   9170  C   VAL F 111      76.442 174.779  30.083  1.00 16.59           C  
-ATOM   9171  O   VAL F 111      77.070 174.802  29.028  1.00 15.88           O  
-ATOM   9172  CB  VAL F 111      74.645 173.050  29.951  1.00 16.50           C  
-ATOM   9173  CG1 VAL F 111      75.104 172.256  31.214  1.00 15.37           C  
-ATOM   9174  CG2 VAL F 111      73.168 172.820  29.635  1.00 14.84           C  
-ATOM   9175  N   LEU F 112      77.003 174.979  31.270  1.00 16.60           N  
-ATOM   9176  CA  LEU F 112      78.439 174.983  31.466  1.00 16.79           C  
-ATOM   9177  C   LEU F 112      78.787 173.904  32.486  1.00 17.22           C  
-ATOM   9178  O   LEU F 112      78.294 173.907  33.646  1.00 15.74           O  
-ATOM   9179  CB  LEU F 112      78.909 176.353  31.983  1.00 17.22           C  
-ATOM   9180  CG  LEU F 112      80.356 176.473  32.505  1.00 18.63           C  
-ATOM   9181  CD1 LEU F 112      81.323 176.287  31.366  1.00 16.34           C  
-ATOM   9182  CD2 LEU F 112      80.616 177.847  33.210  1.00 20.06           C  
-ATOM   9183  N   TYR F 113      79.660 172.999  32.061  1.00 17.22           N  
-ATOM   9184  CA  TYR F 113      80.172 171.972  32.952  1.00 17.79           C  
-ATOM   9185  C   TYR F 113      81.685 172.073  32.905  1.00 17.73           C  
-ATOM   9186  O   TYR F 113      82.267 171.952  31.835  1.00 16.96           O  
-ATOM   9187  CB  TYR F 113      79.679 170.577  32.554  1.00 17.80           C  
-ATOM   9188  CG  TYR F 113      80.211 169.511  33.474  1.00 19.28           C  
-ATOM   9189  CD1 TYR F 113      80.178 169.685  34.866  1.00 20.27           C  
-ATOM   9190  CD2 TYR F 113      80.763 168.319  32.966  1.00 20.26           C  
-ATOM   9191  CE1 TYR F 113      80.712 168.734  35.725  1.00 21.99           C  
-ATOM   9192  CE2 TYR F 113      81.273 167.330  33.839  1.00 19.95           C  
-ATOM   9193  CZ  TYR F 113      81.248 167.549  35.200  1.00 22.79           C  
-ATOM   9194  OH  TYR F 113      81.724 166.600  36.087  1.00 26.75           O  
-ATOM   9195  N   MET F 114      82.310 172.349  34.055  1.00 17.31           N  
-ATOM   9196  CA  MET F 114      83.737 172.667  34.092  1.00 17.52           C  
-ATOM   9197  C   MET F 114      84.411 171.949  35.267  1.00 17.19           C  
-ATOM   9198  O   MET F 114      84.776 172.565  36.273  1.00 16.86           O  
-ATOM   9199  CB  MET F 114      83.974 174.188  34.185  1.00 18.19           C  
-ATOM   9200  CG  MET F 114      85.434 174.591  33.967  1.00 21.10           C  
-ATOM   9201  SD  MET F 114      85.757 176.326  33.484  1.00 27.13           S  
-ATOM   9202  CE  MET F 114      84.137 177.001  33.608  1.00 26.88           C  
-ATOM   9203  N   PRO F 115      84.579 170.652  35.135  1.00 16.65           N  
-ATOM   9204  CA  PRO F 115      85.242 169.869  36.183  1.00 16.93           C  
-ATOM   9205  C   PRO F 115      86.787 170.060  36.144  1.00 17.03           C  
-ATOM   9206  O   PRO F 115      87.367 170.289  35.088  1.00 16.41           O  
-ATOM   9207  CB  PRO F 115      84.858 168.432  35.817  1.00 16.62           C  
-ATOM   9208  CG  PRO F 115      84.707 168.445  34.307  1.00 16.64           C  
-ATOM   9209  CD  PRO F 115      84.145 169.818  33.998  1.00 16.67           C  
-ATOM   9210  N   SER F 116      87.416 169.985  37.308  1.00 16.70           N  
-ATOM   9211  CA  SER F 116      88.849 169.871  37.372  1.00 17.17           C  
-ATOM   9212  C   SER F 116      89.200 168.374  37.266  1.00 17.43           C  
-ATOM   9213  O   SER F 116      88.681 167.528  38.001  1.00 17.04           O  
-ATOM   9214  CB  SER F 116      89.401 170.465  38.652  1.00 17.05           C  
-ATOM   9215  OG  SER F 116      90.819 170.448  38.602  1.00 19.03           O  
-ATOM   9216  N   ILE F 117      90.083 168.065  36.329  1.00 17.67           N  
-ATOM   9217  CA  ILE F 117      90.413 166.697  36.008  1.00 17.98           C  
-ATOM   9218  C   ILE F 117      91.901 166.444  36.137  1.00 17.85           C  
-ATOM   9219  O   ILE F 117      92.719 167.222  35.644  1.00 17.42           O  
-ATOM   9220  CB  ILE F 117      89.900 166.366  34.589  1.00 18.45           C  
-ATOM   9221  CG1 ILE F 117      88.375 166.289  34.629  1.00 20.08           C  
-ATOM   9222  CG2 ILE F 117      90.498 165.000  34.042  1.00 18.16           C  
-ATOM   9223  CD1 ILE F 117      87.756 165.961  33.330  1.00 21.16           C  
-ATOM   9224  N   ARG F 118      92.244 165.379  36.858  1.00 17.59           N  
-ATOM   9225  CA  ARG F 118      93.600 164.882  36.833  1.00 17.82           C  
-ATOM   9226  C   ARG F 118      93.649 163.644  35.922  1.00 17.69           C  
-ATOM   9227  O   ARG F 118      92.874 162.699  36.101  1.00 17.72           O  
-ATOM   9228  CB  ARG F 118      94.105 164.538  38.216  1.00 17.92           C  
-ATOM   9229  CG  ARG F 118      95.573 164.155  38.164  1.00 19.88           C  
-ATOM   9230  CD  ARG F 118      96.169 163.753  39.499  1.00 23.43           C  
-ATOM   9231  NE  ARG F 118      97.602 163.468  39.382  1.00 26.50           N  
-ATOM   9232  CZ  ARG F 118      98.481 163.581  40.382  1.00 27.99           C  
-ATOM   9233  NH1 ARG F 118      98.078 163.990  41.591  1.00 27.80           N  
-ATOM   9234  NH2 ARG F 118      99.765 163.255  40.178  1.00 27.54           N  
-ATOM   9235  N   GLN F 119      94.555 163.642  34.954  1.00 17.04           N  
-ATOM   9236  CA  GLN F 119      94.659 162.517  34.008  1.00 17.04           C  
-ATOM   9237  C   GLN F 119      96.062 162.425  33.399  1.00 16.94           C  
-ATOM   9238  O   GLN F 119      96.811 163.421  33.320  1.00 16.69           O  
-ATOM   9239  CB  GLN F 119      93.628 162.690  32.893  1.00 17.08           C  
-ATOM   9240  CG  GLN F 119      93.319 161.454  32.110  1.00 17.64           C  
-ATOM   9241  CD  GLN F 119      92.081 161.569  31.229  1.00 18.37           C  
-ATOM   9242  OE1 GLN F 119      91.690 162.655  30.792  1.00 20.49           O  
-ATOM   9243  NE2 GLN F 119      91.474 160.433  30.954  1.00 18.58           N  
-ATOM   9244  N   ARG F 120      96.399 161.224  32.942  1.00 17.40           N  
-ATOM   9245  CA  ARG F 120      97.684 160.912  32.338  1.00 17.75           C  
-ATOM   9246  C   ARG F 120      97.526 160.541  30.868  1.00 16.96           C  
-ATOM   9247  O   ARG F 120      96.668 159.744  30.524  1.00 17.07           O  
-ATOM   9248  CB  ARG F 120      98.365 159.770  33.083  1.00 17.82           C  
-ATOM   9249  CG  ARG F 120      98.859 160.152  34.506  1.00 24.49           C  
-ATOM   9250  CD  ARG F 120      99.281 158.973  35.404  1.00 29.16           C  
-ATOM   9251  NE  ARG F 120      98.219 158.660  36.371  1.00 36.65           N  
-ATOM   9252  CZ  ARG F 120      97.855 157.431  36.734  1.00 39.78           C  
-ATOM   9253  NH1 ARG F 120      98.478 156.362  36.227  1.00 41.36           N  
-ATOM   9254  NH2 ARG F 120      96.878 157.270  37.623  1.00 40.03           N  
-ATOM   9255  N   PHE F 121      98.435 161.071  30.058  1.00 16.19           N  
-ATOM   9256  CA  PHE F 121      98.413 161.061  28.622  1.00 16.88           C  
-ATOM   9257  C   PHE F 121      99.733 160.602  28.094  1.00 17.61           C  
-ATOM   9258  O   PHE F 121     100.798 160.884  28.655  1.00 19.01           O  
-ATOM   9259  CB  PHE F 121      98.169 162.458  28.050  1.00 15.92           C  
-ATOM   9260  CG  PHE F 121      96.918 163.088  28.553  1.00 16.37           C  
-ATOM   9261  CD1 PHE F 121      95.708 162.832  27.923  1.00 13.97           C  
-ATOM   9262  CD2 PHE F 121      96.941 163.903  29.689  1.00 16.21           C  
-ATOM   9263  CE1 PHE F 121      94.540 163.393  28.386  1.00 14.44           C  
-ATOM   9264  CE2 PHE F 121      95.758 164.492  30.177  1.00 16.14           C  
-ATOM   9265  CZ  PHE F 121      94.553 164.226  29.529  1.00 15.37           C  
-ATOM   9266  N   SER F 122      99.637 159.904  26.980  1.00 16.51           N  
-ATOM   9267  CA  SER F 122     100.777 159.468  26.227  1.00 16.74           C  
-ATOM   9268  C   SER F 122     100.931 160.538  25.172  1.00 17.30           C  
-ATOM   9269  O   SER F 122     100.002 160.786  24.398  1.00 16.80           O  
-ATOM   9270  CB  SER F 122     100.447 158.116  25.588  1.00 16.33           C  
-ATOM   9271  OG  SER F 122     101.276 157.882  24.470  1.00 16.56           O  
-ATOM   9272  N   CYS F 123     102.088 161.194  25.155  1.00 18.27           N  
-ATOM   9273  CA  CYS F 123     102.343 162.252  24.189  1.00 20.02           C  
-ATOM   9274  C   CYS F 123     103.834 162.606  24.120  1.00 19.87           C  
-ATOM   9275  O   CYS F 123     104.652 162.083  24.885  1.00 19.67           O  
-ATOM   9276  CB  CYS F 123     101.492 163.494  24.528  1.00 20.98           C  
-ATOM   9277  SG  CYS F 123     101.935 164.247  26.092  1.00 25.53           S  
-ATOM   9278  N   ASP F 124     104.180 163.507  23.202  1.00 19.91           N  
-ATOM   9279  CA  ASP F 124     105.577 163.862  22.935  1.00 19.59           C  
-ATOM   9280  C   ASP F 124     106.143 164.725  24.065  1.00 19.56           C  
-ATOM   9281  O   ASP F 124     105.847 165.900  24.186  1.00 19.57           O  
-ATOM   9282  CB  ASP F 124     105.681 164.581  21.605  1.00 19.56           C  
-ATOM   9283  CG  ASP F 124     107.096 164.592  21.042  1.00 20.56           C  
-ATOM   9284  OD1 ASP F 124     108.054 164.111  21.692  1.00 19.77           O  
-ATOM   9285  OD2 ASP F 124     107.349 165.087  19.929  1.00 21.68           O  
-ATOM   9286  N   VAL F 125     106.949 164.111  24.909  1.00 19.33           N  
-ATOM   9287  CA  VAL F 125     107.601 164.799  25.995  1.00 18.92           C  
-ATOM   9288  C   VAL F 125     109.023 165.258  25.612  1.00 18.85           C  
-ATOM   9289  O   VAL F 125     109.654 165.958  26.388  1.00 18.58           O  
-ATOM   9290  CB  VAL F 125     107.588 163.931  27.261  1.00 19.10           C  
-ATOM   9291  CG1 VAL F 125     108.318 164.615  28.412  1.00 19.31           C  
-ATOM   9292  CG2 VAL F 125     106.162 163.653  27.684  1.00 18.55           C  
-ATOM   9293  N   SER F 126     109.495 164.931  24.406  1.00 18.26           N  
-ATOM   9294  CA  SER F 126     110.828 165.332  23.998  1.00 18.47           C  
-ATOM   9295  C   SER F 126     111.006 166.860  24.004  1.00 18.13           C  
-ATOM   9296  O   SER F 126     110.108 167.605  23.660  1.00 17.55           O  
-ATOM   9297  CB  SER F 126     111.233 164.720  22.635  1.00 18.45           C  
-ATOM   9298  OG  SER F 126     110.474 165.264  21.552  1.00 18.90           O  
-ATOM   9299  N   GLY F 127     112.195 167.302  24.413  1.00 18.11           N  
-ATOM   9300  CA  GLY F 127     112.535 168.711  24.466  1.00 17.63           C  
-ATOM   9301  C   GLY F 127     112.016 169.438  25.711  1.00 17.56           C  
-ATOM   9302  O   GLY F 127     112.191 170.651  25.825  1.00 17.36           O  
-ATOM   9303  N   VAL F 128     111.393 168.714  26.642  1.00 17.12           N  
-ATOM   9304  CA  VAL F 128     110.810 169.337  27.826  1.00 17.32           C  
-ATOM   9305  C   VAL F 128     111.804 170.185  28.653  1.00 17.16           C  
-ATOM   9306  O   VAL F 128     111.418 171.179  29.257  1.00 17.34           O  
-ATOM   9307  CB  VAL F 128     110.059 168.323  28.732  1.00 17.00           C  
-ATOM   9308  CG1 VAL F 128     111.037 167.358  29.395  1.00 17.02           C  
-ATOM   9309  CG2 VAL F 128     109.276 169.068  29.801  1.00 17.24           C  
-ATOM   9310  N   ASP F 129     113.067 169.803  28.697  1.00 16.18           N  
-ATOM   9311  CA  ASP F 129     114.038 170.592  29.433  1.00 16.05           C  
-ATOM   9312  C   ASP F 129     114.914 171.418  28.489  1.00 15.96           C  
-ATOM   9313  O   ASP F 129     116.144 171.417  28.596  1.00 15.52           O  
-ATOM   9314  CB  ASP F 129     114.878 169.685  30.344  1.00 16.10           C  
-ATOM   9315  CG  ASP F 129     115.316 170.370  31.617  1.00 17.72           C  
-ATOM   9316  OD1 ASP F 129     115.148 171.603  31.753  1.00 17.74           O  
-ATOM   9317  OD2 ASP F 129     115.873 169.747  32.545  1.00 20.91           O  
-ATOM   9318  N   THR F 130     114.273 172.118  27.560  1.00 16.06           N  
-ATOM   9319  CA  THR F 130     114.985 172.967  26.595  1.00 16.54           C  
-ATOM   9320  C   THR F 130     114.227 174.265  26.426  1.00 16.67           C  
-ATOM   9321  O   THR F 130     113.069 174.358  26.848  1.00 16.17           O  
-ATOM   9322  CB  THR F 130     115.061 172.295  25.208  1.00 16.92           C  
-ATOM   9323  OG1 THR F 130     113.733 172.181  24.670  1.00 15.86           O  
-ATOM   9324  CG2 THR F 130     115.602 170.852  25.302  1.00 16.81           C  
-ATOM   9325  N   GLU F 131     114.863 175.238  25.771  1.00 16.89           N  
-ATOM   9326  CA  GLU F 131     114.267 176.557  25.550  1.00 18.20           C  
-ATOM   9327  C   GLU F 131     112.935 176.502  24.792  1.00 18.00           C  
-ATOM   9328  O   GLU F 131     111.974 177.256  25.107  1.00 17.14           O  
-ATOM   9329  CB  GLU F 131     115.252 177.479  24.831  1.00 18.20           C  
-ATOM   9330  CG  GLU F 131     114.930 178.971  24.940  1.00 21.24           C  
-ATOM   9331  CD  GLU F 131     115.225 179.587  26.312  1.00 24.52           C  
-ATOM   9332  OE1 GLU F 131     116.333 179.364  26.871  1.00 23.49           O  
-ATOM   9333  OE2 GLU F 131     114.340 180.317  26.837  1.00 24.73           O  
-ATOM   9334  N   SER F 132     112.883 175.615  23.802  1.00 18.10           N  
-ATOM   9335  CA  SER F 132     111.719 175.536  22.941  1.00 18.90           C  
-ATOM   9336  C   SER F 132     110.630 174.633  23.536  1.00 18.82           C  
-ATOM   9337  O   SER F 132     109.470 174.696  23.124  1.00 18.89           O  
-ATOM   9338  CB  SER F 132     112.101 175.143  21.511  1.00 19.17           C  
-ATOM   9339  OG  SER F 132     112.675 173.853  21.479  1.00 21.95           O  
-ATOM   9340  N   GLY F 133     111.015 173.822  24.520  1.00 18.59           N  
-ATOM   9341  CA  GLY F 133     110.091 173.014  25.288  1.00 18.22           C  
-ATOM   9342  C   GLY F 133     109.532 171.820  24.541  1.00 18.19           C  
-ATOM   9343  O   GLY F 133     109.907 171.557  23.403  1.00 17.35           O  
-ATOM   9344  N   ALA F 134     108.634 171.102  25.204  1.00 18.12           N  
-ATOM   9345  CA  ALA F 134     107.968 169.962  24.612  1.00 18.65           C  
-ATOM   9346  C   ALA F 134     106.585 170.408  24.172  1.00 19.28           C  
-ATOM   9347  O   ALA F 134     106.048 171.387  24.695  1.00 19.08           O  
-ATOM   9348  CB  ALA F 134     107.861 168.847  25.633  1.00 17.99           C  
-ATOM   9349  N   THR F 135     105.991 169.682  23.231  1.00 19.86           N  
-ATOM   9350  CA  THR F 135     104.623 169.940  22.850  1.00 20.58           C  
-ATOM   9351  C   THR F 135     103.793 168.649  22.927  1.00 21.61           C  
-ATOM   9352  O   THR F 135     103.956 167.708  22.101  1.00 21.88           O  
-ATOM   9353  CB  THR F 135     104.576 170.676  21.490  1.00 20.99           C  
-ATOM   9354  OG1 THR F 135     105.458 171.811  21.549  1.00 20.34           O  
-ATOM   9355  CG2 THR F 135     103.205 171.335  21.245  1.00 19.45           C  
-ATOM   9356  N   CYS F 136     102.957 168.600  23.962  1.00 21.55           N  
-ATOM   9357  CA  CYS F 136     102.076 167.475  24.239  1.00 23.01           C  
-ATOM   9358  C   CYS F 136     100.705 167.772  23.634  1.00 22.51           C  
-ATOM   9359  O   CYS F 136     100.102 168.805  23.946  1.00 22.69           O  
-ATOM   9360  CB  CYS F 136     101.948 167.229  25.766  1.00 22.31           C  
-ATOM   9361  SG  CYS F 136     100.744 165.942  26.263  1.00 29.78           S  
-ATOM   9362  N   ARG F 137     100.230 166.867  22.778  1.00 22.05           N  
-ATOM   9363  CA  ARG F 137      98.963 167.020  22.064  1.00 21.78           C  
-ATOM   9364  C   ARG F 137      97.897 166.172  22.769  1.00 20.78           C  
-ATOM   9365  O   ARG F 137      98.103 165.008  22.984  1.00 20.53           O  
-ATOM   9366  CB  ARG F 137      99.188 166.550  20.625  1.00 22.22           C  
-ATOM   9367  CG  ARG F 137      98.293 167.138  19.518  1.00 24.56           C  
-ATOM   9368  CD  ARG F 137      99.011 167.274  18.152  1.00 31.49           C  
-ATOM   9369  NE  ARG F 137     100.471 167.447  18.272  1.00 36.04           N  
-ATOM   9370  CZ  ARG F 137     101.152 168.575  17.978  1.00 41.21           C  
-ATOM   9371  NH1 ARG F 137     100.533 169.668  17.511  1.00 42.40           N  
-ATOM   9372  NH2 ARG F 137     102.475 168.618  18.146  1.00 41.59           N  
-ATOM   9373  N   ILE F 138      96.783 166.770  23.186  1.00 19.91           N  
-ATOM   9374  CA  ILE F 138      95.675 165.999  23.771  1.00 18.65           C  
-ATOM   9375  C   ILE F 138      94.484 166.071  22.830  1.00 18.32           C  
-ATOM   9376  O   ILE F 138      94.027 167.163  22.435  1.00 17.54           O  
-ATOM   9377  CB  ILE F 138      95.277 166.510  25.183  1.00 18.57           C  
-ATOM   9378  CG1 ILE F 138      96.401 166.255  26.186  1.00 20.24           C  
-ATOM   9379  CG2 ILE F 138      93.985 165.836  25.680  1.00 17.70           C  
-ATOM   9380  CD1 ILE F 138      96.720 167.489  27.097  1.00 24.26           C  
-ATOM   9381  N   LYS F 139      93.984 164.895  22.459  1.00 17.56           N  
-ATOM   9382  CA  LYS F 139      92.887 164.803  21.521  1.00 16.76           C  
-ATOM   9383  C   LYS F 139      91.602 164.496  22.266  1.00 17.19           C  
-ATOM   9384  O   LYS F 139      91.502 163.456  22.944  1.00 17.15           O  
-ATOM   9385  CB  LYS F 139      93.224 163.704  20.498  1.00 16.40           C  
-ATOM   9386  CG  LYS F 139      92.186 163.442  19.433  1.00 12.03           C  
-ATOM   9387  CD  LYS F 139      92.718 162.303  18.547  1.00 13.67           C  
-ATOM   9388  CE  LYS F 139      91.612 161.507  17.901  1.00 13.12           C  
-ATOM   9389  NZ  LYS F 139      92.122 160.461  16.918  1.00 14.24           N  
-ATOM   9390  N   ILE F 140      90.594 165.362  22.122  1.00 16.82           N  
-ATOM   9391  CA  ILE F 140      89.311 165.142  22.827  1.00 16.77           C  
-ATOM   9392  C   ILE F 140      88.148 165.166  21.850  1.00 16.14           C  
-ATOM   9393  O   ILE F 140      88.051 166.085  21.044  1.00 15.41           O  
-ATOM   9394  CB  ILE F 140      89.045 166.270  23.886  1.00 16.75           C  
-ATOM   9395  CG1 ILE F 140      90.250 166.494  24.775  1.00 19.29           C  
-ATOM   9396  CG2 ILE F 140      87.851 165.929  24.787  1.00 15.98           C  
-ATOM   9397  CD1 ILE F 140      90.137 165.725  26.095  1.00 19.78           C  
-ATOM   9398  N   GLY F 141      87.236 164.191  21.962  1.00 15.31           N  
-ATOM   9399  CA  GLY F 141      86.067 164.152  21.084  1.00 14.53           C  
-ATOM   9400  C   GLY F 141      84.999 163.264  21.684  1.00 14.79           C  
-ATOM   9401  O   GLY F 141      85.225 162.602  22.721  1.00 14.67           O  
-ATOM   9402  N   SER F 142      83.825 163.254  21.062  1.00 13.64           N  
-ATOM   9403  CA  SER F 142      82.815 162.361  21.505  1.00 13.54           C  
-ATOM   9404  C   SER F 142      83.247 160.921  21.212  1.00 13.45           C  
-ATOM   9405  O   SER F 142      83.612 160.602  20.118  1.00 12.76           O  
-ATOM   9406  CB  SER F 142      81.510 162.589  20.778  1.00 14.14           C  
-ATOM   9407  OG  SER F 142      80.635 161.576  21.204  1.00  7.35           O  
-ATOM   9408  N   TRP F 143      83.124 160.066  22.210  1.00 12.57           N  
-ATOM   9409  CA  TRP F 143      83.431 158.667  22.027  1.00 12.34           C  
-ATOM   9410  C   TRP F 143      82.476 157.931  21.088  1.00 12.04           C  
-ATOM   9411  O   TRP F 143      82.940 157.119  20.301  1.00 12.19           O  
-ATOM   9412  CB  TRP F 143      83.537 157.948  23.390  1.00 12.04           C  
-ATOM   9413  CG  TRP F 143      84.187 156.550  23.285  1.00 11.78           C  
-ATOM   9414  CD1 TRP F 143      83.590 155.344  23.484  1.00 14.01           C  
-ATOM   9415  CD2 TRP F 143      85.539 156.259  22.926  1.00 12.08           C  
-ATOM   9416  NE1 TRP F 143      84.495 154.311  23.329  1.00 11.21           N  
-ATOM   9417  CE2 TRP F 143      85.701 154.842  22.977  1.00 11.54           C  
-ATOM   9418  CE3 TRP F 143      86.647 157.050  22.599  1.00  9.78           C  
-ATOM   9419  CZ2 TRP F 143      86.918 154.202  22.677  1.00 12.79           C  
-ATOM   9420  CZ3 TRP F 143      87.868 156.414  22.294  1.00 15.21           C  
-ATOM   9421  CH2 TRP F 143      87.994 154.997  22.338  1.00 10.10           C  
-ATOM   9422  N   THR F 144      81.168 158.223  21.144  1.00 11.64           N  
-ATOM   9423  CA  THR F 144      80.187 157.436  20.353  1.00 11.32           C  
-ATOM   9424  C   THR F 144      79.277 158.258  19.430  1.00 11.12           C  
-ATOM   9425  O   THR F 144      78.438 157.695  18.818  1.00 10.87           O  
-ATOM   9426  CB  THR F 144      79.296 156.583  21.289  1.00 10.60           C  
-ATOM   9427  OG1 THR F 144      78.388 157.440  21.995  1.00 10.92           O  
-ATOM   9428  CG2 THR F 144      80.087 156.030  22.439  1.00 10.97           C  
-ATOM   9429  N   HIS F 145      79.409 159.588  19.382  1.00 11.15           N  
-ATOM   9430  CA  HIS F 145      78.514 160.396  18.548  1.00 10.78           C  
-ATOM   9431  C   HIS F 145      79.313 160.966  17.402  1.00 11.03           C  
-ATOM   9432  O   HIS F 145      80.287 161.677  17.628  1.00 11.03           O  
-ATOM   9433  CB  HIS F 145      77.875 161.530  19.366  1.00 11.71           C  
-ATOM   9434  CG  HIS F 145      76.859 161.067  20.360  1.00 12.10           C  
-ATOM   9435  ND1 HIS F 145      75.620 160.577  19.992  1.00 13.61           N  
-ATOM   9436  CD2 HIS F 145      76.908 160.986  21.710  1.00 15.20           C  
-ATOM   9437  CE1 HIS F 145      74.931 160.269  21.077  1.00 15.04           C  
-ATOM   9438  NE2 HIS F 145      75.688 160.514  22.134  1.00 13.50           N  
-ATOM   9439  N   HIS F 146      78.935 160.627  16.176  1.00 10.54           N  
-ATOM   9440  CA  HIS F 146      79.622 161.136  15.014  1.00 11.28           C  
-ATOM   9441  C   HIS F 146      79.203 162.582  14.704  1.00 11.25           C  
-ATOM   9442  O   HIS F 146      78.390 163.144  15.406  1.00 10.93           O  
-ATOM   9443  CB  HIS F 146      79.375 160.221  13.820  1.00 11.02           C  
-ATOM   9444  CG  HIS F 146      77.939 159.936  13.579  1.00  9.58           C  
-ATOM   9445  ND1 HIS F 146      77.056 160.893  13.144  1.00 12.53           N  
-ATOM   9446  CD2 HIS F 146      77.226 158.796  13.708  1.00 11.53           C  
-ATOM   9447  CE1 HIS F 146      75.858 160.353  12.997  1.00 11.10           C  
-ATOM   9448  NE2 HIS F 146      75.931 159.082  13.346  1.00  9.75           N  
-ATOM   9449  N   SER F 147      79.731 163.132  13.613  1.00 11.73           N  
-ATOM   9450  CA  SER F 147      79.670 164.559  13.328  1.00 11.61           C  
-ATOM   9451  C   SER F 147      78.256 165.106  13.082  1.00 12.16           C  
-ATOM   9452  O   SER F 147      77.999 166.310  13.175  1.00 12.74           O  
-ATOM   9453  CB  SER F 147      80.650 164.859  12.196  1.00 11.19           C  
-ATOM   9454  OG  SER F 147      80.208 164.295  10.969  1.00 11.89           O  
-ATOM   9455  N   ARG F 148      77.312 164.227  12.792  1.00 12.62           N  
-ATOM   9456  CA  ARG F 148      75.940 164.684  12.543  1.00 12.81           C  
-ATOM   9457  C   ARG F 148      75.180 164.814  13.859  1.00 12.76           C  
-ATOM   9458  O   ARG F 148      74.076 165.341  13.879  1.00 12.85           O  
-ATOM   9459  CB  ARG F 148      75.224 163.731  11.556  1.00 12.45           C  
-ATOM   9460  CG  ARG F 148      75.917 163.672  10.178  1.00 11.27           C  
-ATOM   9461  CD  ARG F 148      75.291 162.692   9.128  1.00 14.14           C  
-ATOM   9462  NE  ARG F 148      75.102 161.309   9.613  1.00 14.96           N  
-ATOM   9463  CZ  ARG F 148      73.931 160.806  10.040  1.00 17.97           C  
-ATOM   9464  NH1 ARG F 148      72.835 161.584  10.072  1.00 16.84           N  
-ATOM   9465  NH2 ARG F 148      73.845 159.531  10.461  1.00 14.85           N  
-ATOM   9466  N   GLU F 149      75.783 164.336  14.957  1.00 12.42           N  
-ATOM   9467  CA  GLU F 149      75.155 164.324  16.270  1.00 12.47           C  
-ATOM   9468  C   GLU F 149      75.893 165.226  17.274  1.00 12.95           C  
-ATOM   9469  O   GLU F 149      75.261 165.883  18.124  1.00 12.07           O  
-ATOM   9470  CB  GLU F 149      75.048 162.894  16.854  1.00 12.45           C  
-ATOM   9471  CG  GLU F 149      74.180 161.921  16.022  1.00 12.14           C  
-ATOM   9472  CD  GLU F 149      74.228 160.468  16.518  1.00 12.85           C  
-ATOM   9473  OE1 GLU F 149      74.851 160.167  17.544  1.00 16.63           O  
-ATOM   9474  OE2 GLU F 149      73.637 159.585  15.887  1.00 11.34           O  
-ATOM   9475  N   ILE F 150      77.228 165.242  17.193  1.00 12.95           N  
-ATOM   9476  CA  ILE F 150      78.018 166.148  18.010  1.00 13.59           C  
-ATOM   9477  C   ILE F 150      79.107 166.787  17.203  1.00 14.99           C  
-ATOM   9478  O   ILE F 150      79.897 166.087  16.560  1.00 15.36           O  
-ATOM   9479  CB  ILE F 150      78.651 165.396  19.234  1.00 13.75           C  
-ATOM   9480  CG1 ILE F 150      77.597 165.083  20.285  1.00 11.58           C  
-ATOM   9481  CG2 ILE F 150      79.749 166.225  19.892  1.00 13.87           C  
-ATOM   9482  CD1 ILE F 150      78.164 164.739  21.682  1.00  8.12           C  
-ATOM   9483  N   SER F 151      79.160 168.117  17.215  1.00 15.95           N  
-ATOM   9484  CA  SER F 151      80.345 168.794  16.735  1.00 17.96           C  
-ATOM   9485  C   SER F 151      81.121 169.365  17.914  1.00 19.23           C  
-ATOM   9486  O   SER F 151      80.537 169.802  18.913  1.00 19.70           O  
-ATOM   9487  CB  SER F 151      80.011 169.867  15.699  1.00 17.40           C  
-ATOM   9488  OG  SER F 151      79.091 170.762  16.228  1.00 18.96           O  
-ATOM   9489  N   VAL F 152      82.444 169.351  17.823  1.00 20.87           N  
-ATOM   9490  CA  VAL F 152      83.274 169.893  18.895  1.00 22.71           C  
-ATOM   9491  C   VAL F 152      84.120 171.009  18.324  1.00 24.80           C  
-ATOM   9492  O   VAL F 152      84.719 170.861  17.262  1.00 24.67           O  
-ATOM   9493  CB  VAL F 152      84.150 168.785  19.600  1.00 23.80           C  
-ATOM   9494  CG1 VAL F 152      83.285 167.773  20.335  1.00 21.72           C  
-ATOM   9495  CG2 VAL F 152      84.990 168.047  18.625  1.00 22.29           C  
-ATOM   9496  N   ASP F 153      84.119 172.159  18.990  1.00 27.82           N  
-ATOM   9497  CA  ASP F 153      84.938 173.297  18.583  1.00 30.18           C  
-ATOM   9498  C   ASP F 153      85.657 173.881  19.800  1.00 31.53           C  
-ATOM   9499  O   ASP F 153      85.180 173.728  20.924  1.00 30.67           O  
-ATOM   9500  CB  ASP F 153      84.058 174.381  17.975  1.00 30.83           C  
-ATOM   9501  CG  ASP F 153      83.653 174.077  16.547  1.00 33.09           C  
-ATOM   9502  OD1 ASP F 153      83.014 173.020  16.311  1.00 34.32           O  
-ATOM   9503  OD2 ASP F 153      83.911 174.861  15.598  1.00 36.12           O  
-ATOM   9504  N   PRO F 154      86.812 174.514  19.590  1.00 33.02           N  
-ATOM   9505  CA  PRO F 154      87.420 175.360  20.624  1.00 34.95           C  
-ATOM   9506  C   PRO F 154      86.495 176.503  21.037  1.00 37.05           C  
-ATOM   9507  O   PRO F 154      85.707 176.955  20.217  1.00 37.69           O  
-ATOM   9508  CB  PRO F 154      88.651 175.932  19.921  1.00 34.34           C  
-ATOM   9509  CG  PRO F 154      88.976 174.919  18.948  1.00 33.54           C  
-ATOM   9510  CD  PRO F 154      87.678 174.404  18.408  1.00 32.54           C  
-ATOM   9511  N   THR F 155      86.589 176.948  22.289  1.00 39.44           N  
-ATOM   9512  CA  THR F 155      85.954 178.203  22.731  1.00 41.03           C  
-ATOM   9513  C   THR F 155      86.652 179.435  22.110  1.00 42.45           C  
-ATOM   9514  O   THR F 155      87.713 179.325  21.480  1.00 42.30           O  
-ATOM   9515  CB  THR F 155      85.892 178.265  24.313  1.00 41.15           C  
-ATOM   9516  OG1 THR F 155      85.524 176.976  24.840  1.00 39.69           O  
-ATOM   9517  CG2 THR F 155      84.753 179.161  24.802  1.00 41.06           C  
-ATOM   9518  N   THR F 156      86.050 180.607  22.294  1.00 44.47           N  
-ATOM   9519  CA  THR F 156      86.492 181.831  21.622  1.00 46.38           C  
-ATOM   9520  C   THR F 156      87.530 182.711  22.366  1.00 47.75           C  
-ATOM   9521  O   THR F 156      88.477 183.210  21.741  1.00 47.57           O  
-ATOM   9522  CB  THR F 156      85.262 182.673  21.192  1.00 46.35           C  
-ATOM   9523  OG1 THR F 156      84.045 181.999  21.562  1.00 45.26           O  
-ATOM   9524  CG2 THR F 156      85.188 182.762  19.660  1.00 47.04           C  
-ATOM   9525  N   GLU F 157      87.363 182.865  23.687  1.00 49.52           N  
-ATOM   9526  CA  GLU F 157      87.998 183.955  24.478  1.00 50.96           C  
-ATOM   9527  C   GLU F 157      89.532 184.236  24.326  1.00 51.60           C  
-ATOM   9528  O   GLU F 157      90.325 183.345  23.974  1.00 51.18           O  
-ATOM   9529  CB  GLU F 157      87.556 183.896  25.968  1.00 51.21           C  
-ATOM   9530  CG  GLU F 157      88.225 182.820  26.834  1.00 51.34           C  
-ATOM   9531  CD  GLU F 157      87.297 181.674  27.195  1.00 51.27           C  
-ATOM   9532  OE1 GLU F 157      86.247 181.922  27.848  1.00 49.41           O  
-ATOM   9533  OE2 GLU F 157      87.636 180.514  26.831  1.00 50.72           O  
-ATOM   9534  N   ASN F 158      89.912 185.489  24.611  1.00 52.63           N  
-ATOM   9535  CA  ASN F 158      91.265 186.016  24.356  1.00 53.35           C  
-ATOM   9536  C   ASN F 158      92.198 186.131  25.593  1.00 53.44           C  
-ATOM   9537  O   ASN F 158      92.723 187.220  25.884  1.00 53.62           O  
-ATOM   9538  CB  ASN F 158      91.169 187.376  23.617  1.00 53.83           C  
-ATOM   9539  CG  ASN F 158      92.150 187.493  22.437  1.00 54.44           C  
-ATOM   9540  OD1 ASN F 158      92.712 188.566  22.185  1.00 53.76           O  
-ATOM   9541  ND2 ASN F 158      92.351 186.387  21.711  1.00 55.41           N  
-ATOM   9542  N   SER F 159      92.403 185.013  26.303  1.00 53.37           N  
-ATOM   9543  CA  SER F 159      93.384 184.931  27.410  1.00 52.88           C  
-ATOM   9544  C   SER F 159      94.305 183.694  27.278  1.00 52.13           C  
-ATOM   9545  O   SER F 159      93.826 182.582  26.993  1.00 51.89           O  
-ATOM   9546  CB  SER F 159      92.690 184.943  28.787  1.00 53.17           C  
-ATOM   9547  OG  SER F 159      91.544 185.791  28.825  1.00 53.47           O  
-ATOM   9548  N   ASP F 160      95.616 183.895  27.472  1.00 51.24           N  
-ATOM   9549  CA  ASP F 160      96.593 182.797  27.334  1.00 50.30           C  
-ATOM   9550  C   ASP F 160      96.903 182.080  28.664  1.00 49.40           C  
-ATOM   9551  O   ASP F 160      96.805 182.686  29.732  1.00 49.53           O  
-ATOM   9552  CB  ASP F 160      97.822 183.167  26.450  1.00 50.26           C  
-ATOM   9553  CG  ASP F 160      99.015 183.730  27.233  1.00 50.99           C  
-ATOM   9554  OD1 ASP F 160      99.300 183.287  28.366  1.00 52.18           O  
-ATOM   9555  OD2 ASP F 160      99.759 184.614  26.754  1.00 50.68           O  
-ATOM   9556  N   ASP F 161      97.271 180.796  28.577  1.00 48.14           N  
-ATOM   9557  CA  ASP F 161      96.912 179.796  29.615  1.00 46.42           C  
-ATOM   9558  C   ASP F 161      97.554 179.736  30.999  1.00 45.28           C  
-ATOM   9559  O   ASP F 161      96.922 179.236  31.917  1.00 44.86           O  
-ATOM   9560  CB  ASP F 161      96.891 178.392  29.042  1.00 46.30           C  
-ATOM   9561  CG  ASP F 161      95.568 177.706  29.279  1.00 45.71           C  
-ATOM   9562  OD1 ASP F 161      94.566 178.169  28.674  1.00 45.92           O  
-ATOM   9563  OD2 ASP F 161      95.439 176.718  30.047  1.00 42.80           O  
-ATOM   9564  N   SER F 162      98.775 180.242  31.173  1.00 44.11           N  
-ATOM   9565  CA  SER F 162      99.307 180.372  32.539  1.00 42.48           C  
-ATOM   9566  C   SER F 162      98.296 181.093  33.467  1.00 41.49           C  
-ATOM   9567  O   SER F 162      98.436 181.056  34.701  1.00 41.65           O  
-ATOM   9568  CB  SER F 162     100.676 181.052  32.567  1.00 42.27           C  
-ATOM   9569  OG  SER F 162     101.719 180.128  32.278  1.00 42.02           O  
-ATOM   9570  N   GLU F 163      97.272 181.709  32.855  1.00 39.40           N  
-ATOM   9571  CA  GLU F 163      96.168 182.382  33.552  1.00 36.83           C  
-ATOM   9572  C   GLU F 163      95.788 181.719  34.861  1.00 34.41           C  
-ATOM   9573  O   GLU F 163      95.745 182.382  35.896  1.00 34.35           O  
-ATOM   9574  CB  GLU F 163      94.928 182.443  32.658  1.00 37.36           C  
-ATOM   9575  CG  GLU F 163      94.525 183.856  32.286  1.00 38.14           C  
-ATOM   9576  CD  GLU F 163      93.245 184.323  32.959  1.00 39.81           C  
-ATOM   9577  OE1 GLU F 163      92.156 183.820  32.586  1.00 40.23           O  
-ATOM   9578  OE2 GLU F 163      93.331 185.219  33.841  1.00 39.62           O  
-ATOM   9579  N   TYR F 164      95.503 180.417  34.804  1.00 31.15           N  
-ATOM   9580  CA  TYR F 164      95.196 179.659  36.011  1.00 28.34           C  
-ATOM   9581  C   TYR F 164      96.274 178.651  36.381  1.00 26.28           C  
-ATOM   9582  O   TYR F 164      96.102 177.896  37.337  1.00 26.72           O  
-ATOM   9583  CB  TYR F 164      93.818 178.974  35.889  1.00 28.64           C  
-ATOM   9584  CG  TYR F 164      92.733 179.978  35.619  1.00 27.75           C  
-ATOM   9585  CD1 TYR F 164      92.659 181.154  36.365  1.00 27.47           C  
-ATOM   9586  CD2 TYR F 164      91.827 179.785  34.588  1.00 27.29           C  
-ATOM   9587  CE1 TYR F 164      91.696 182.088  36.105  1.00 29.13           C  
-ATOM   9588  CE2 TYR F 164      90.851 180.707  34.331  1.00 27.63           C  
-ATOM   9589  CZ  TYR F 164      90.797 181.861  35.087  1.00 28.59           C  
-ATOM   9590  OH  TYR F 164      89.840 182.793  34.827  1.00 31.31           O  
-ATOM   9591  N   PHE F 165      97.372 178.635  35.631  1.00 22.28           N  
-ATOM   9592  CA  PHE F 165      98.428 177.659  35.851  1.00 20.33           C  
-ATOM   9593  C   PHE F 165      99.165 177.977  37.129  1.00 19.09           C  
-ATOM   9594  O   PHE F 165      99.453 179.132  37.397  1.00 18.71           O  
-ATOM   9595  CB  PHE F 165      99.386 177.612  34.654  1.00 19.64           C  
-ATOM   9596  CG  PHE F 165     100.318 176.435  34.665  1.00 18.85           C  
-ATOM   9597  CD1 PHE F 165      99.843 175.159  34.411  1.00 17.41           C  
-ATOM   9598  CD2 PHE F 165     101.682 176.612  34.933  1.00 17.34           C  
-ATOM   9599  CE1 PHE F 165     100.692 174.086  34.430  1.00 18.26           C  
-ATOM   9600  CE2 PHE F 165     102.532 175.538  34.958  1.00 17.36           C  
-ATOM   9601  CZ  PHE F 165     102.050 174.268  34.704  1.00 17.23           C  
-ATOM   9602  N   SER F 166      99.467 176.946  37.905  1.00 17.95           N  
-ATOM   9603  CA  SER F 166     100.185 177.120  39.165  1.00 17.50           C  
-ATOM   9604  C   SER F 166     101.578 177.782  39.020  1.00 16.97           C  
-ATOM   9605  O   SER F 166     102.385 177.348  38.215  1.00 15.69           O  
-ATOM   9606  CB  SER F 166     100.288 175.784  39.896  1.00 17.12           C  
-ATOM   9607  OG  SER F 166     101.032 175.905  41.091  1.00 17.11           O  
-ATOM   9608  N   GLN F 167     101.832 178.830  39.807  1.00 16.92           N  
-ATOM   9609  CA  GLN F 167     103.161 179.444  39.901  1.00 17.73           C  
-ATOM   9610  C   GLN F 167     104.180 178.538  40.624  1.00 17.46           C  
-ATOM   9611  O   GLN F 167     105.382 178.779  40.575  1.00 17.13           O  
-ATOM   9612  CB  GLN F 167     103.095 180.833  40.583  1.00 18.01           C  
-ATOM   9613  CG  GLN F 167     102.700 180.771  42.045  1.00 19.60           C  
-ATOM   9614  CD  GLN F 167     102.525 182.147  42.701  1.00 22.68           C  
-ATOM   9615  OE1 GLN F 167     103.502 182.892  42.883  1.00 22.42           O  
-ATOM   9616  NE2 GLN F 167     101.279 182.479  43.069  1.00 21.89           N  
-ATOM   9617  N   TYR F 168     103.692 177.487  41.266  1.00 17.33           N  
-ATOM   9618  CA  TYR F 168     104.530 176.622  42.073  1.00 17.20           C  
-ATOM   9619  C   TYR F 168     104.959 175.369  41.335  1.00 17.10           C  
-ATOM   9620  O   TYR F 168     105.842 174.640  41.801  1.00 17.41           O  
-ATOM   9621  CB  TYR F 168     103.832 176.291  43.392  1.00 17.23           C  
-ATOM   9622  CG  TYR F 168     103.532 177.545  44.180  1.00 17.26           C  
-ATOM   9623  CD1 TYR F 168     104.560 178.420  44.537  1.00 17.12           C  
-ATOM   9624  CD2 TYR F 168     102.218 177.889  44.521  1.00 17.14           C  
-ATOM   9625  CE1 TYR F 168     104.298 179.590  45.237  1.00 17.91           C  
-ATOM   9626  CE2 TYR F 168     101.942 179.042  45.218  1.00 16.64           C  
-ATOM   9627  CZ  TYR F 168     102.987 179.889  45.577  1.00 17.74           C  
-ATOM   9628  OH  TYR F 168     102.717 181.044  46.263  1.00 18.92           O  
-ATOM   9629  N   SER F 169     104.356 175.132  40.181  1.00 16.29           N  
-ATOM   9630  CA  SER F 169     104.775 174.056  39.301  1.00 16.10           C  
-ATOM   9631  C   SER F 169     106.262 174.124  38.941  1.00 16.25           C  
-ATOM   9632  O   SER F 169     106.880 175.180  38.935  1.00 15.63           O  
-ATOM   9633  CB  SER F 169     103.954 174.065  38.029  1.00 15.72           C  
-ATOM   9634  OG  SER F 169     104.390 173.024  37.178  1.00 16.19           O  
-ATOM   9635  N   ARG F 170     106.821 172.967  38.616  1.00 16.58           N  
-ATOM   9636  CA  ARG F 170     108.205 172.854  38.189  1.00 16.66           C  
-ATOM   9637  C   ARG F 170     108.307 173.264  36.723  1.00 16.01           C  
-ATOM   9638  O   ARG F 170     109.415 173.435  36.180  1.00 15.32           O  
-ATOM   9639  CB  ARG F 170     108.607 171.395  38.289  1.00 17.25           C  
-ATOM   9640  CG  ARG F 170     109.525 171.077  39.418  1.00 20.44           C  
-ATOM   9641  CD  ARG F 170     109.949 169.610  39.419  1.00 23.95           C  
-ATOM   9642  NE  ARG F 170     108.791 168.751  39.181  1.00 26.42           N  
-ATOM   9643  CZ  ARG F 170     108.859 167.459  38.845  1.00 27.57           C  
-ATOM   9644  NH1 ARG F 170     110.054 166.861  38.721  1.00 25.19           N  
-ATOM   9645  NH2 ARG F 170     107.726 166.766  38.646  1.00 24.93           N  
-ATOM   9646  N   PHE F 171     107.143 173.401  36.091  1.00 14.17           N  
-ATOM   9647  CA  PHE F 171     107.029 173.643  34.668  1.00 14.37           C  
-ATOM   9648  C   PHE F 171     106.363 174.983  34.391  1.00 15.04           C  
-ATOM   9649  O   PHE F 171     105.681 175.578  35.244  1.00 15.55           O  
-ATOM   9650  CB  PHE F 171     106.246 172.494  33.956  1.00 13.41           C  
-ATOM   9651  CG  PHE F 171     106.732 171.114  34.307  1.00 12.45           C  
-ATOM   9652  CD1 PHE F 171     106.202 170.426  35.399  1.00 11.29           C  
-ATOM   9653  CD2 PHE F 171     107.744 170.491  33.551  1.00 13.65           C  
-ATOM   9654  CE1 PHE F 171     106.656 169.134  35.748  1.00 11.21           C  
-ATOM   9655  CE2 PHE F 171     108.233 169.204  33.906  1.00 11.09           C  
-ATOM   9656  CZ  PHE F 171     107.678 168.526  35.011  1.00 10.83           C  
-ATOM   9657  N   GLU F 172     106.580 175.475  33.185  1.00 16.07           N  
-ATOM   9658  CA  GLU F 172     105.912 176.685  32.737  1.00 17.04           C  
-ATOM   9659  C   GLU F 172     105.314 176.405  31.372  1.00 17.23           C  
-ATOM   9660  O   GLU F 172     105.834 175.600  30.605  1.00 17.10           O  
-ATOM   9661  CB  GLU F 172     106.865 177.903  32.711  1.00 17.19           C  
-ATOM   9662  CG  GLU F 172     108.121 177.722  31.873  1.00 18.89           C  
-ATOM   9663  CD  GLU F 172     109.092 178.900  31.971  1.00 22.48           C  
-ATOM   9664  OE1 GLU F 172     108.671 179.988  32.434  1.00 24.84           O  
-ATOM   9665  OE2 GLU F 172     110.280 178.750  31.582  1.00 22.50           O  
-ATOM   9666  N   ILE F 173     104.209 177.075  31.083  1.00 17.63           N  
-ATOM   9667  CA  ILE F 173     103.531 176.932  29.815  1.00 18.08           C  
-ATOM   9668  C   ILE F 173     103.977 178.040  28.896  1.00 18.62           C  
-ATOM   9669  O   ILE F 173     103.950 179.207  29.264  1.00 18.49           O  
-ATOM   9670  CB  ILE F 173     102.024 176.973  30.028  1.00 18.30           C  
-ATOM   9671  CG1 ILE F 173     101.605 175.692  30.769  1.00 18.66           C  
-ATOM   9672  CG2 ILE F 173     101.302 177.142  28.684  1.00 18.29           C  
-ATOM   9673  CD1 ILE F 173     100.136 175.586  31.109  1.00 20.62           C  
-ATOM   9674  N   LEU F 174     104.416 177.656  27.706  1.00 18.80           N  
-ATOM   9675  CA  LEU F 174     104.864 178.608  26.704  1.00 19.46           C  
-ATOM   9676  C   LEU F 174     103.709 179.006  25.799  1.00 19.81           C  
-ATOM   9677  O   LEU F 174     103.582 180.165  25.441  1.00 19.76           O  
-ATOM   9678  CB  LEU F 174     106.029 178.032  25.884  1.00 19.07           C  
-ATOM   9679  CG  LEU F 174     107.252 177.591  26.695  1.00 19.37           C  
-ATOM   9680  CD1 LEU F 174     108.257 176.876  25.828  1.00 19.51           C  
-ATOM   9681  CD2 LEU F 174     107.894 178.788  27.417  1.00 18.93           C  
-ATOM   9682  N   ASP F 175     102.864 178.040  25.456  1.00 20.08           N  
-ATOM   9683  CA  ASP F 175     101.771 178.260  24.527  1.00 21.13           C  
-ATOM   9684  C   ASP F 175     100.785 177.110  24.568  1.00 20.96           C  
-ATOM   9685  O   ASP F 175     101.168 175.980  24.804  1.00 20.42           O  
-ATOM   9686  CB  ASP F 175     102.323 178.397  23.102  1.00 21.88           C  
-ATOM   9687  CG  ASP F 175     101.489 179.309  22.213  1.00 24.22           C  
-ATOM   9688  OD1 ASP F 175     100.364 179.724  22.600  1.00 26.23           O  
-ATOM   9689  OD2 ASP F 175     101.897 179.670  21.084  1.00 27.92           O  
-ATOM   9690  N   VAL F 176      99.515 177.438  24.344  1.00 21.60           N  
-ATOM   9691  CA  VAL F 176      98.419 176.480  24.136  1.00 22.01           C  
-ATOM   9692  C   VAL F 176      97.705 176.842  22.816  1.00 22.94           C  
-ATOM   9693  O   VAL F 176      97.285 177.986  22.612  1.00 22.93           O  
-ATOM   9694  CB  VAL F 176      97.412 176.470  25.319  1.00 21.71           C  
-ATOM   9695  CG1 VAL F 176      96.347 175.395  25.124  1.00 21.34           C  
-ATOM   9696  CG2 VAL F 176      98.134 176.211  26.635  1.00 21.07           C  
-ATOM   9697  N   THR F 177      97.619 175.885  21.897  1.00 23.49           N  
-ATOM   9698  CA  THR F 177      96.853 176.082  20.669  1.00 23.93           C  
-ATOM   9699  C   THR F 177      95.897 174.922  20.499  1.00 24.08           C  
-ATOM   9700  O   THR F 177      96.124 173.815  21.030  1.00 23.63           O  
-ATOM   9701  CB  THR F 177      97.741 176.211  19.417  1.00 24.29           C  
-ATOM   9702  OG1 THR F 177      98.611 175.072  19.314  1.00 25.60           O  
-ATOM   9703  CG2 THR F 177      98.691 177.434  19.502  1.00 24.80           C  
-ATOM   9704  N   GLN F 178      94.811 175.184  19.787  1.00 24.45           N  
-ATOM   9705  CA  GLN F 178      93.829 174.152  19.534  1.00 25.55           C  
-ATOM   9706  C   GLN F 178      93.562 173.991  18.057  1.00 25.58           C  
-ATOM   9707  O   GLN F 178      93.669 174.947  17.280  1.00 25.43           O  
-ATOM   9708  CB  GLN F 178      92.512 174.353  20.303  1.00 25.72           C  
-ATOM   9709  CG  GLN F 178      92.244 175.699  20.919  1.00 29.86           C  
-ATOM   9710  CD  GLN F 178      92.133 175.626  22.429  1.00 35.47           C  
-ATOM   9711  OE1 GLN F 178      91.124 175.101  22.995  1.00 39.07           O  
-ATOM   9712  NE2 GLN F 178      93.171 176.127  23.107  1.00 35.20           N  
-ATOM   9713  N   LYS F 179      93.208 172.771  17.671  1.00 25.32           N  
-ATOM   9714  CA  LYS F 179      92.997 172.453  16.261  1.00 25.74           C  
-ATOM   9715  C   LYS F 179      91.811 171.490  16.203  1.00 25.28           C  
-ATOM   9716  O   LYS F 179      91.722 170.579  17.017  1.00 25.68           O  
-ATOM   9717  CB  LYS F 179      94.270 171.818  15.680  1.00 24.93           C  
-ATOM   9718  CG  LYS F 179      94.385 171.853  14.191  1.00 28.69           C  
-ATOM   9719  CD  LYS F 179      94.906 170.551  13.661  1.00 32.19           C  
-ATOM   9720  CE  LYS F 179      94.737 170.459  12.163  1.00 35.22           C  
-ATOM   9721  NZ  LYS F 179      95.694 169.465  11.604  1.00 36.71           N  
-ATOM   9722  N   LYS F 180      90.885 171.702  15.268  1.00 25.25           N  
-ATOM   9723  CA  LYS F 180      89.772 170.781  15.144  1.00 24.32           C  
-ATOM   9724  C   LYS F 180      90.018 169.792  14.029  1.00 22.87           C  
-ATOM   9725  O   LYS F 180      90.648 170.110  13.032  1.00 21.53           O  
-ATOM   9726  CB  LYS F 180      88.431 171.521  15.048  1.00 25.47           C  
-ATOM   9727  CG  LYS F 180      87.857 171.710  13.671  1.00 28.78           C  
-ATOM   9728  CD  LYS F 180      86.456 172.340  13.780  1.00 33.62           C  
-ATOM   9729  CE  LYS F 180      86.523 173.848  14.052  1.00 36.48           C  
-ATOM   9730  NZ  LYS F 180      87.282 174.133  15.322  1.00 36.93           N  
-ATOM   9731  N   ASN F 181      89.577 168.563  14.250  1.00 21.39           N  
-ATOM   9732  CA  ASN F 181      89.733 167.518  13.268  1.00 20.61           C  
-ATOM   9733  C   ASN F 181      88.459 166.746  13.123  1.00 20.19           C  
-ATOM   9734  O   ASN F 181      87.601 166.770  14.016  1.00 20.39           O  
-ATOM   9735  CB  ASN F 181      90.885 166.589  13.641  1.00 21.42           C  
-ATOM   9736  CG  ASN F 181      92.189 167.338  13.805  1.00 23.08           C  
-ATOM   9737  OD1 ASN F 181      92.761 167.825  12.824  1.00 26.51           O  
-ATOM   9738  ND2 ASN F 181      92.636 167.494  15.045  1.00 24.82           N  
-ATOM   9739  N   SER F 182      88.343 166.061  11.990  1.00 18.93           N  
-ATOM   9740  CA  SER F 182      87.217 165.201  11.725  1.00 17.71           C  
-ATOM   9741  C   SER F 182      87.793 163.887  11.228  1.00 17.13           C  
-ATOM   9742  O   SER F 182      88.300 163.829  10.133  1.00 15.29           O  
-ATOM   9743  CB  SER F 182      86.303 165.842  10.691  1.00 17.51           C  
-ATOM   9744  OG  SER F 182      84.988 165.312  10.765  1.00 17.96           O  
-ATOM   9745  N   VAL F 183      87.735 162.853  12.076  1.00 16.73           N  
-ATOM   9746  CA  VAL F 183      88.381 161.573  11.842  1.00 16.93           C  
-ATOM   9747  C   VAL F 183      87.370 160.434  11.641  1.00 16.81           C  
-ATOM   9748  O   VAL F 183      86.370 160.351  12.345  1.00 17.38           O  
-ATOM   9749  CB  VAL F 183      89.314 161.183  13.045  1.00 17.72           C  
-ATOM   9750  CG1 VAL F 183      90.069 159.875  12.770  1.00 16.94           C  
-ATOM   9751  CG2 VAL F 183      90.291 162.312  13.361  1.00 18.34           C  
-ATOM   9752  N   THR F 184      87.681 159.553  10.698  1.00 17.35           N  
-ATOM   9753  CA  THR F 184      86.928 158.342  10.379  1.00 17.28           C  
-ATOM   9754  C   THR F 184      87.752 157.120  10.841  1.00 17.77           C  
-ATOM   9755  O   THR F 184      88.928 156.965  10.481  1.00 17.14           O  
-ATOM   9756  CB  THR F 184      86.665 158.277   8.850  1.00 17.30           C  
-ATOM   9757  OG1 THR F 184      85.821 159.378   8.437  1.00 17.23           O  
-ATOM   9758  CG2 THR F 184      85.849 157.012   8.475  1.00 16.02           C  
-ATOM   9759  N   TYR F 185      87.139 156.277  11.659  1.00 17.99           N  
-ATOM   9760  CA  TYR F 185      87.833 155.132  12.261  1.00 18.83           C  
-ATOM   9761  C   TYR F 185      87.471 153.869  11.522  1.00 19.44           C  
-ATOM   9762  O   TYR F 185      86.388 153.805  10.939  1.00 19.83           O  
-ATOM   9763  CB  TYR F 185      87.505 155.039  13.770  1.00 18.77           C  
-ATOM   9764  CG  TYR F 185      88.021 156.243  14.495  1.00 16.71           C  
-ATOM   9765  CD1 TYR F 185      87.229 157.389  14.642  1.00 19.91           C  
-ATOM   9766  CD2 TYR F 185      89.345 156.291  14.936  1.00 18.85           C  
-ATOM   9767  CE1 TYR F 185      87.733 158.556  15.277  1.00 19.32           C  
-ATOM   9768  CE2 TYR F 185      89.846 157.422  15.565  1.00 20.96           C  
-ATOM   9769  CZ  TYR F 185      89.034 158.559  15.718  1.00 19.41           C  
-ATOM   9770  OH  TYR F 185      89.550 159.680  16.326  1.00 20.98           O  
-ATOM   9771  N   SER F 186      88.385 152.892  11.517  1.00 20.39           N  
-ATOM   9772  CA  SER F 186      88.160 151.548  10.932  1.00 21.34           C  
-ATOM   9773  C   SER F 186      86.826 150.931  11.308  1.00 21.50           C  
-ATOM   9774  O   SER F 186      86.262 150.166  10.561  1.00 21.18           O  
-ATOM   9775  CB  SER F 186      89.227 150.568  11.428  1.00 21.79           C  
-ATOM   9776  OG  SER F 186      90.524 151.064  11.177  1.00 25.22           O  
-ATOM   9777  N   CYS F 187      86.346 151.271  12.492  1.00 21.85           N  
-ATOM   9778  CA  CYS F 187      85.255 150.560  13.129  1.00 22.74           C  
-ATOM   9779  C   CYS F 187      83.895 150.926  12.590  1.00 23.08           C  
-ATOM   9780  O   CYS F 187      82.957 150.114  12.647  1.00 24.13           O  
-ATOM   9781  CB  CYS F 187      85.248 150.902  14.610  1.00 22.44           C  
-ATOM   9782  SG  CYS F 187      84.680 152.598  14.952  1.00 23.42           S  
-ATOM   9783  N   CYS F 188      83.763 152.173  12.133  1.00 22.47           N  
-ATOM   9784  CA  CYS F 188      82.442 152.714  11.827  1.00 21.11           C  
-ATOM   9785  C   CYS F 188      82.468 153.605  10.545  1.00 19.34           C  
-ATOM   9786  O   CYS F 188      83.520 154.142  10.190  1.00 19.44           O  
-ATOM   9787  CB  CYS F 188      81.928 153.418  13.077  1.00 21.43           C  
-ATOM   9788  SG  CYS F 188      82.615 152.797  14.677  1.00 24.83           S  
-ATOM   9789  N   PRO F 189      81.356 153.732   9.827  1.00 17.40           N  
-ATOM   9790  CA  PRO F 189      81.349 154.520   8.582  1.00 16.79           C  
-ATOM   9791  C   PRO F 189      81.513 156.048   8.749  1.00 16.04           C  
-ATOM   9792  O   PRO F 189      82.017 156.727   7.844  1.00 15.35           O  
-ATOM   9793  CB  PRO F 189      79.985 154.184   7.960  1.00 16.58           C  
-ATOM   9794  CG  PRO F 189      79.097 153.822   9.134  1.00 15.97           C  
-ATOM   9795  CD  PRO F 189      80.031 153.138  10.110  1.00 17.36           C  
-ATOM   9796  N   GLU F 190      81.117 156.585   9.892  1.00 15.97           N  
-ATOM   9797  CA  GLU F 190      80.933 158.016   9.988  1.00 15.94           C  
-ATOM   9798  C   GLU F 190      82.209 158.728  10.427  1.00 16.86           C  
-ATOM   9799  O   GLU F 190      83.170 158.068  10.832  1.00 17.53           O  
-ATOM   9800  CB  GLU F 190      79.742 158.308  10.898  1.00 16.10           C  
-ATOM   9801  CG  GLU F 190      78.445 157.682  10.354  1.00 18.28           C  
-ATOM   9802  CD  GLU F 190      77.474 158.698   9.796  1.00 16.02           C  
-ATOM   9803  OE1 GLU F 190      76.297 158.347   9.636  1.00 12.58           O  
-ATOM   9804  OE2 GLU F 190      77.891 159.859   9.552  1.00 18.13           O  
-ATOM   9805  N   ALA F 191      82.237 160.062  10.288  1.00 17.05           N  
-ATOM   9806  CA  ALA F 191      83.332 160.880  10.775  1.00 16.29           C  
-ATOM   9807  C   ALA F 191      83.014 161.379  12.175  1.00 15.93           C  
-ATOM   9808  O   ALA F 191      81.856 161.759  12.466  1.00 14.97           O  
-ATOM   9809  CB  ALA F 191      83.581 162.052   9.847  1.00 16.46           C  
-ATOM   9810  N   TYR F 192      84.049 161.422  13.018  1.00 15.49           N  
-ATOM   9811  CA  TYR F 192      83.913 161.855  14.419  1.00 16.38           C  
-ATOM   9812  C   TYR F 192      84.805 163.048  14.680  1.00 17.04           C  
-ATOM   9813  O   TYR F 192      86.005 163.045  14.295  1.00 17.41           O  
-ATOM   9814  CB  TYR F 192      84.330 160.743  15.421  1.00 15.37           C  
-ATOM   9815  CG  TYR F 192      83.423 159.561  15.372  1.00 16.07           C  
-ATOM   9816  CD1 TYR F 192      83.539 158.598  14.379  1.00 15.91           C  
-ATOM   9817  CD2 TYR F 192      82.396 159.420  16.308  1.00 15.39           C  
-ATOM   9818  CE1 TYR F 192      82.665 157.524  14.347  1.00 16.73           C  
-ATOM   9819  CE2 TYR F 192      81.517 158.378  16.245  1.00 15.72           C  
-ATOM   9820  CZ  TYR F 192      81.665 157.428  15.282  1.00 16.34           C  
-ATOM   9821  OH  TYR F 192      80.794 156.375  15.235  1.00 17.66           O  
-ATOM   9822  N   GLU F 193      84.266 164.046  15.372  1.00 17.11           N  
-ATOM   9823  CA  GLU F 193      84.996 165.300  15.486  1.00 18.11           C  
-ATOM   9824  C   GLU F 193      85.794 165.290  16.747  1.00 18.66           C  
-ATOM   9825  O   GLU F 193      85.381 164.701  17.770  1.00 18.07           O  
-ATOM   9826  CB  GLU F 193      84.073 166.519  15.426  1.00 18.21           C  
-ATOM   9827  CG  GLU F 193      83.497 166.769  14.022  1.00 18.31           C  
-ATOM   9828  CD  GLU F 193      82.758 168.088  13.904  1.00 19.75           C  
-ATOM   9829  OE1 GLU F 193      82.884 168.908  14.810  1.00 20.17           O  
-ATOM   9830  OE2 GLU F 193      82.060 168.325  12.901  1.00 21.63           O  
-ATOM   9831  N   ASP F 194      86.962 165.903  16.672  1.00 19.28           N  
-ATOM   9832  CA  ASP F 194      87.772 166.061  17.861  1.00 20.39           C  
-ATOM   9833  C   ASP F 194      88.398 167.457  17.904  1.00 20.07           C  
-ATOM   9834  O   ASP F 194      88.496 168.149  16.870  1.00 19.16           O  
-ATOM   9835  CB  ASP F 194      88.834 164.952  17.959  1.00 20.67           C  
-ATOM   9836  CG  ASP F 194      89.919 165.076  16.911  1.00 24.82           C  
-ATOM   9837  OD1 ASP F 194      90.737 166.039  16.958  1.00 27.95           O  
-ATOM   9838  OD2 ASP F 194      90.040 164.246  15.987  1.00 29.38           O  
-ATOM   9839  N   VAL F 195      88.795 167.862  19.112  1.00 19.57           N  
-ATOM   9840  CA  VAL F 195      89.711 168.987  19.265  1.00 19.72           C  
-ATOM   9841  C   VAL F 195      91.077 168.480  19.731  1.00 19.28           C  
-ATOM   9842  O   VAL F 195      91.160 167.681  20.666  1.00 18.78           O  
-ATOM   9843  CB  VAL F 195      89.166 170.050  20.255  1.00 20.07           C  
-ATOM   9844  CG1 VAL F 195      90.200 171.138  20.482  1.00 21.19           C  
-ATOM   9845  CG2 VAL F 195      87.916 170.709  19.672  1.00 20.74           C  
-ATOM   9846  N   GLU F 196      92.133 168.935  19.064  1.00 18.65           N  
-ATOM   9847  CA  GLU F 196      93.492 168.657  19.490  1.00 19.16           C  
-ATOM   9848  C   GLU F 196      94.030 169.868  20.210  1.00 18.59           C  
-ATOM   9849  O   GLU F 196      94.112 170.974  19.631  1.00 18.73           O  
-ATOM   9850  CB  GLU F 196      94.408 168.257  18.303  1.00 19.28           C  
-ATOM   9851  CG  GLU F 196      94.373 166.761  18.004  1.00 23.48           C  
-ATOM   9852  CD  GLU F 196      95.024 166.325  16.690  1.00 27.95           C  
-ATOM   9853  OE1 GLU F 196      95.663 167.153  15.979  1.00 28.83           O  
-ATOM   9854  OE2 GLU F 196      94.903 165.117  16.359  1.00 28.68           O  
-ATOM   9855  N   VAL F 197      94.389 169.663  21.466  1.00 17.85           N  
-ATOM   9856  CA  VAL F 197      94.970 170.709  22.289  1.00 17.90           C  
-ATOM   9857  C   VAL F 197      96.482 170.488  22.426  1.00 17.44           C  
-ATOM   9858  O   VAL F 197      96.946 169.509  23.010  1.00 17.71           O  
-ATOM   9859  CB  VAL F 197      94.248 170.821  23.672  1.00 17.88           C  
-ATOM   9860  CG1 VAL F 197      94.851 171.922  24.543  1.00 17.33           C  
-ATOM   9861  CG2 VAL F 197      92.766 171.068  23.481  1.00 17.80           C  
-ATOM   9862  N   SER F 198      97.244 171.405  21.867  1.00 17.54           N  
-ATOM   9863  CA  SER F 198      98.720 171.378  21.917  1.00 17.59           C  
-ATOM   9864  C   SER F 198      99.258 172.217  23.061  1.00 17.41           C  
-ATOM   9865  O   SER F 198      99.163 173.452  23.037  1.00 17.05           O  
-ATOM   9866  CB  SER F 198      99.299 171.880  20.599  1.00 17.64           C  
-ATOM   9867  OG  SER F 198      98.919 171.006  19.543  1.00 19.72           O  
-ATOM   9868  N   LEU F 199      99.799 171.529  24.073  1.00 17.07           N  
-ATOM   9869  CA  LEU F 199     100.395 172.162  25.233  1.00 16.79           C  
-ATOM   9870  C   LEU F 199     101.910 172.261  25.062  1.00 16.67           C  
-ATOM   9871  O   LEU F 199     102.600 171.256  25.117  1.00 16.70           O  
-ATOM   9872  CB  LEU F 199     100.025 171.387  26.498  1.00 17.01           C  
-ATOM   9873  CG  LEU F 199     100.681 171.766  27.821  1.00 18.25           C  
-ATOM   9874  CD1 LEU F 199     100.282 173.152  28.254  1.00 18.36           C  
-ATOM   9875  CD2 LEU F 199     100.263 170.737  28.867  1.00 19.07           C  
-ATOM   9876  N   ASN F 200     102.414 173.477  24.818  1.00 16.25           N  
-ATOM   9877  CA  ASN F 200     103.844 173.740  24.698  1.00 15.75           C  
-ATOM   9878  C   ASN F 200     104.345 174.195  26.058  1.00 15.26           C  
-ATOM   9879  O   ASN F 200     103.987 175.270  26.525  1.00 14.95           O  
-ATOM   9880  CB  ASN F 200     104.120 174.801  23.610  1.00 15.85           C  
-ATOM   9881  CG  ASN F 200     105.631 175.068  23.366  1.00 17.16           C  
-ATOM   9882  OD1 ASN F 200     106.010 176.180  22.992  1.00 17.83           O  
-ATOM   9883  ND2 ASN F 200     106.480 174.056  23.558  1.00 18.25           N  
-ATOM   9884  N   PHE F 201     105.159 173.364  26.696  1.00 14.45           N  
-ATOM   9885  CA  PHE F 201     105.629 173.629  28.050  1.00 14.28           C  
-ATOM   9886  C   PHE F 201     107.102 173.199  28.245  1.00 13.53           C  
-ATOM   9887  O   PHE F 201     107.615 172.401  27.468  1.00 13.44           O  
-ATOM   9888  CB  PHE F 201     104.716 172.902  29.049  1.00 13.85           C  
-ATOM   9889  CG  PHE F 201     104.909 171.422  29.079  1.00 15.19           C  
-ATOM   9890  CD1 PHE F 201     104.469 170.617  28.025  1.00 15.60           C  
-ATOM   9891  CD2 PHE F 201     105.539 170.819  30.163  1.00 16.08           C  
-ATOM   9892  CE1 PHE F 201     104.650 169.254  28.047  1.00 16.21           C  
-ATOM   9893  CE2 PHE F 201     105.729 169.441  30.197  1.00 16.48           C  
-ATOM   9894  CZ  PHE F 201     105.292 168.662  29.133  1.00 16.68           C  
-ATOM   9895  N   ARG F 202     107.751 173.723  29.287  1.00 12.75           N  
-ATOM   9896  CA  ARG F 202     109.134 173.376  29.601  1.00 12.81           C  
-ATOM   9897  C   ARG F 202     109.413 173.479  31.095  1.00 12.74           C  
-ATOM   9898  O   ARG F 202     108.606 174.064  31.842  1.00 12.55           O  
-ATOM   9899  CB  ARG F 202     110.113 174.237  28.793  1.00 12.58           C  
-ATOM   9900  CG  ARG F 202     110.311 175.627  29.385  1.00 14.68           C  
-ATOM   9901  CD  ARG F 202     111.079 176.606  28.496  1.00 13.30           C  
-ATOM   9902  NE  ARG F 202     110.850 177.948  28.988  1.00 10.19           N  
-ATOM   9903  CZ  ARG F 202     111.235 179.072  28.383  1.00 10.94           C  
-ATOM   9904  NH1 ARG F 202     111.873 179.036  27.217  1.00  8.15           N  
-ATOM   9905  NH2 ARG F 202     110.968 180.251  28.958  1.00  9.71           N  
-ATOM   9906  N   LYS F 203     110.530 172.896  31.533  1.00 12.66           N  
-ATOM   9907  CA  LYS F 203     110.974 173.048  32.920  1.00 14.52           C  
-ATOM   9908  C   LYS F 203     111.515 174.456  33.150  1.00 14.42           C  
-ATOM   9909  O   LYS F 203     112.218 175.017  32.303  1.00 14.34           O  
-ATOM   9910  CB  LYS F 203     112.054 172.023  33.290  1.00 14.84           C  
-ATOM   9911  CG  LYS F 203     111.545 170.642  33.623  1.00 17.99           C  
-ATOM   9912  CD  LYS F 203     112.720 169.705  33.921  1.00 23.67           C  
-ATOM   9913  CE  LYS F 203     112.271 168.241  34.105  1.00 26.66           C  
-ATOM   9914  NZ  LYS F 203     113.056 167.602  35.220  1.00 28.81           N  
-ATOM   9915  N   LYS F 204     111.190 175.014  34.301  1.00 15.31           N  
-ATOM   9916  CA  LYS F 204     111.655 176.340  34.677  1.00 16.04           C  
-ATOM   9917  C   LYS F 204     113.161 176.335  34.854  1.00 18.05           C  
-ATOM   9918  O   LYS F 204     113.742 175.319  35.229  1.00 17.87           O  
-ATOM   9919  CB  LYS F 204     110.987 176.777  35.973  1.00 15.76           C  
-ATOM   9920  CG  LYS F 204     109.553 177.228  35.831  1.00 11.68           C  
-ATOM   9921  CD  LYS F 204     109.072 177.687  37.180  1.00  9.11           C  
-ATOM   9922  CE  LYS F 204     107.571 177.903  37.227  1.00  5.31           C  
-ATOM   9923  NZ  LYS F 204     107.038 177.844  38.622  1.00  6.56           N  
-ATOM   9924  N   GLY F 205     113.796 177.468  34.558  1.00 20.28           N  
-ATOM   9925  CA  GLY F 205     115.214 177.644  34.812  1.00 22.86           C  
-ATOM   9926  C   GLY F 205     115.516 177.620  36.298  1.00 25.20           C  
-ATOM   9927  O   GLY F 205     114.623 177.860  37.129  1.00 25.29           O  
-ATOM   9928  N   ARG F 206     116.785 177.361  36.622  1.00 27.44           N  
-ATOM   9929  CA  ARG F 206     117.232 177.114  37.999  1.00 29.53           C  
-ATOM   9930  C   ARG F 206     117.214 178.341  38.930  1.00 30.36           C  
-ATOM   9931  O   ARG F 206     117.684 178.265  40.076  1.00 30.90           O  
-ATOM   9932  CB  ARG F 206     118.620 176.419  38.011  1.00 29.66           C  
-ATOM   9933  CG  ARG F 206     119.754 177.153  37.267  1.00 31.64           C  
-ATOM   9934  CD  ARG F 206     121.162 177.046  37.933  1.00 34.01           C  
-ATOM   9935  NE  ARG F 206     121.937 175.889  37.455  1.00 35.26           N  
-ATOM   9936  CZ  ARG F 206     123.196 175.603  37.817  1.00 35.55           C  
-ATOM   9937  NH1 ARG F 206     123.858 176.381  38.664  1.00 35.14           N  
-ATOM   9938  NH2 ARG F 206     123.803 174.531  37.322  1.00 35.20           N  
-ATOM   9939  N   SER F 207     116.648 179.451  38.447  1.00 31.36           N  
-ATOM   9940  CA  SER F 207     116.634 180.734  39.177  1.00 31.98           C  
-ATOM   9941  C   SER F 207     115.787 180.713  40.458  1.00 32.16           C  
-ATOM   9942  O   SER F 207     114.555 180.671  40.406  1.00 32.38           O  
-ATOM   9943  CB  SER F 207     116.172 181.875  38.255  1.00 32.16           C  
-ATOM   9944  OG  SER F 207     116.452 183.143  38.824  1.00 31.88           O  
-TER    9945      SER F 207                                                      
-ATOM   9946  N   GLU G   0      57.270 157.313  13.475  1.00 23.66           N  
-ATOM   9947  CA  GLU G   0      58.229 158.418  13.789  1.00 24.45           C  
-ATOM   9948  C   GLU G   0      58.466 158.397  15.285  1.00 24.15           C  
-ATOM   9949  O   GLU G   0      57.660 158.913  16.069  1.00 24.35           O  
-ATOM   9950  CB  GLU G   0      57.781 159.824  13.272  1.00 24.45           C  
-ATOM   9951  CG  GLU G   0      58.908 160.886  13.146  1.00 25.93           C  
-ATOM   9952  CD  GLU G   0      58.715 161.952  12.008  1.00 30.84           C  
-ATOM   9953  OE1 GLU G   0      57.603 162.058  11.397  1.00 32.97           O  
-ATOM   9954  OE2 GLU G   0      59.683 162.717  11.702  1.00 29.21           O  
-ATOM   9955  N   PHE G   1      59.544 157.712  15.665  1.00 22.96           N  
-ATOM   9956  CA  PHE G   1      60.065 157.793  17.004  1.00 22.53           C  
-ATOM   9957  C   PHE G   1      61.189 158.766  16.943  1.00 21.94           C  
-ATOM   9958  O   PHE G   1      61.921 158.783  15.958  1.00 22.16           O  
-ATOM   9959  CB  PHE G   1      60.665 156.466  17.467  1.00 22.55           C  
-ATOM   9960  CG  PHE G   1      59.754 155.306  17.298  1.00 24.63           C  
-ATOM   9961  CD1 PHE G   1      58.609 155.177  18.094  1.00 26.20           C  
-ATOM   9962  CD2 PHE G   1      60.026 154.331  16.328  1.00 26.04           C  
-ATOM   9963  CE1 PHE G   1      57.747 154.075  17.927  1.00 28.15           C  
-ATOM   9964  CE2 PHE G   1      59.169 153.219  16.154  1.00 26.98           C  
-ATOM   9965  CZ  PHE G   1      58.026 153.094  16.950  1.00 28.27           C  
-ATOM   9966  N   ASP G   2      61.354 159.559  18.000  1.00 20.87           N  
-ATOM   9967  CA  ASP G   2      62.558 160.352  18.111  1.00 20.27           C  
-ATOM   9968  C   ASP G   2      63.540 159.644  19.041  1.00 19.47           C  
-ATOM   9969  O   ASP G   2      63.222 158.583  19.576  1.00 18.61           O  
-ATOM   9970  CB  ASP G   2      62.273 161.797  18.528  1.00 20.78           C  
-ATOM   9971  CG  ASP G   2      61.655 161.922  19.909  1.00 21.93           C  
-ATOM   9972  OD1 ASP G   2      61.661 160.957  20.705  1.00 22.72           O  
-ATOM   9973  OD2 ASP G   2      61.121 162.984  20.280  1.00 24.11           O  
-ATOM   9974  N   ARG G   3      64.720 160.228  19.228  1.00 18.31           N  
-ATOM   9975  CA  ARG G   3      65.728 159.587  20.055  1.00 17.99           C  
-ATOM   9976  C   ARG G   3      65.215 159.318  21.453  1.00 17.34           C  
-ATOM   9977  O   ARG G   3      65.430 158.231  22.006  1.00 17.34           O  
-ATOM   9978  CB  ARG G   3      67.002 160.402  20.128  1.00 18.04           C  
-ATOM   9979  CG  ARG G   3      67.946 160.135  18.984  1.00 18.95           C  
-ATOM   9980  CD  ARG G   3      68.942 161.255  18.706  1.00 19.23           C  
-ATOM   9981  NE  ARG G   3      69.800 160.868  17.603  1.00 22.07           N  
-ATOM   9982  CZ  ARG G   3      69.690 161.337  16.360  1.00 25.93           C  
-ATOM   9983  NH1 ARG G   3      68.746 162.250  16.046  1.00 27.37           N  
-ATOM   9984  NH2 ARG G   3      70.535 160.894  15.422  1.00 26.05           N  
-ATOM   9985  N   ALA G   4      64.518 160.299  22.016  1.00 16.38           N  
-ATOM   9986  CA  ALA G   4      63.938 160.140  23.349  1.00 15.87           C  
-ATOM   9987  C   ALA G   4      63.009 158.936  23.452  1.00 15.74           C  
-ATOM   9988  O   ALA G   4      63.084 158.205  24.440  1.00 15.19           O  
-ATOM   9989  CB  ALA G   4      63.243 161.423  23.799  1.00 15.45           C  
-ATOM   9990  N   ASP G   5      62.152 158.726  22.439  1.00 15.91           N  
-ATOM   9991  CA  ASP G   5      61.255 157.578  22.389  1.00 16.41           C  
-ATOM   9992  C   ASP G   5      62.014 156.269  22.294  1.00 15.89           C  
-ATOM   9993  O   ASP G   5      61.699 155.322  23.004  1.00 15.89           O  
-ATOM   9994  CB  ASP G   5      60.314 157.670  21.199  1.00 17.18           C  
-ATOM   9995  CG  ASP G   5      59.363 158.834  21.290  1.00 20.84           C  
-ATOM   9996  OD1 ASP G   5      59.035 159.252  22.429  1.00 24.16           O  
-ATOM   9997  OD2 ASP G   5      58.879 159.386  20.268  1.00 25.12           O  
-ATOM   9998  N   ILE G   6      62.981 156.198  21.388  1.00 15.36           N  
-ATOM   9999  CA  ILE G   6      63.779 154.984  21.224  1.00 14.77           C  
-ATOM  10000  C   ILE G   6      64.450 154.625  22.551  1.00 14.87           C  
-ATOM  10001  O   ILE G   6      64.350 153.472  22.999  1.00 14.31           O  
-ATOM  10002  CB  ILE G   6      64.815 155.142  20.098  1.00 14.79           C  
-ATOM  10003  CG1 ILE G   6      64.113 155.346  18.758  1.00 14.11           C  
-ATOM  10004  CG2 ILE G   6      65.804 153.924  20.027  1.00 13.93           C  
-ATOM  10005  CD1 ILE G   6      65.019 156.049  17.737  1.00 13.22           C  
-ATOM  10006  N   LEU G   7      65.077 155.607  23.198  1.00 14.87           N  
-ATOM  10007  CA  LEU G   7      65.822 155.352  24.441  1.00 15.95           C  
-ATOM  10008  C   LEU G   7      64.917 155.010  25.650  1.00 15.98           C  
-ATOM  10009  O   LEU G   7      65.249 154.157  26.478  1.00 15.06           O  
-ATOM  10010  CB  LEU G   7      66.743 156.532  24.758  1.00 16.16           C  
-ATOM  10011  CG  LEU G   7      67.953 156.564  23.793  1.00 17.60           C  
-ATOM  10012  CD1 LEU G   7      68.443 157.991  23.509  1.00 19.06           C  
-ATOM  10013  CD2 LEU G   7      69.048 155.682  24.357  1.00 19.27           C  
-ATOM  10014  N   TYR G   8      63.768 155.669  25.725  1.00 15.87           N  
-ATOM  10015  CA  TYR G   8      62.750 155.310  26.687  1.00 16.94           C  
-ATOM  10016  C   TYR G   8      62.303 153.837  26.497  1.00 16.47           C  
-ATOM  10017  O   TYR G   8      62.267 153.055  27.447  1.00 15.80           O  
-ATOM  10018  CB  TYR G   8      61.560 156.265  26.549  1.00 17.50           C  
-ATOM  10019  CG  TYR G   8      60.398 155.966  27.464  1.00 20.87           C  
-ATOM  10020  CD1 TYR G   8      60.484 156.229  28.834  1.00 24.41           C  
-ATOM  10021  CD2 TYR G   8      59.208 155.447  26.967  1.00 23.03           C  
-ATOM  10022  CE1 TYR G   8      59.426 155.956  29.688  1.00 25.92           C  
-ATOM  10023  CE2 TYR G   8      58.137 155.200  27.802  1.00 25.51           C  
-ATOM  10024  CZ  TYR G   8      58.255 155.438  29.166  1.00 26.89           C  
-ATOM  10025  OH  TYR G   8      57.171 155.181  29.997  1.00 28.45           O  
-ATOM  10026  N   ASN G   9      61.960 153.468  25.270  1.00 16.39           N  
-ATOM  10027  CA  ASN G   9      61.481 152.101  25.001  1.00 16.69           C  
-ATOM  10028  C   ASN G   9      62.532 151.055  25.342  1.00 16.16           C  
-ATOM  10029  O   ASN G   9      62.203 150.019  25.909  1.00 15.61           O  
-ATOM  10030  CB  ASN G   9      60.996 151.943  23.559  1.00 16.71           C  
-ATOM  10031  CG  ASN G   9      59.721 152.696  23.295  1.00 18.46           C  
-ATOM  10032  OD1 ASN G   9      59.045 153.142  24.222  1.00 19.54           O  
-ATOM  10033  ND2 ASN G   9      59.399 152.872  22.021  1.00 17.97           N  
-ATOM  10034  N   ILE G  10      63.799 151.354  25.022  1.00 16.64           N  
-ATOM  10035  CA  ILE G  10      64.917 150.459  25.358  1.00 16.59           C  
-ATOM  10036  C   ILE G  10      65.069 150.347  26.895  1.00 17.46           C  
-ATOM  10037  O   ILE G  10      65.160 149.240  27.420  1.00 16.35           O  
-ATOM  10038  CB  ILE G  10      66.237 150.911  24.685  1.00 16.64           C  
-ATOM  10039  CG1 ILE G  10      66.226 150.600  23.181  1.00 15.60           C  
-ATOM  10040  CG2 ILE G  10      67.456 150.273  25.401  1.00 15.93           C  
-ATOM  10041  CD1 ILE G  10      67.266 151.335  22.393  1.00 13.66           C  
-ATOM  10042  N   ARG G  11      65.077 151.478  27.604  1.00 18.32           N  
-ATOM  10043  CA  ARG G  11      65.168 151.461  29.066  1.00 21.14           C  
-ATOM  10044  C   ARG G  11      64.043 150.658  29.746  1.00 21.82           C  
-ATOM  10045  O   ARG G  11      64.288 149.951  30.710  1.00 21.68           O  
-ATOM  10046  CB  ARG G  11      65.214 152.904  29.605  1.00 21.93           C  
-ATOM  10047  CG  ARG G  11      65.390 153.091  31.125  1.00 27.67           C  
-ATOM  10048  CD  ARG G  11      66.211 154.365  31.497  1.00 37.45           C  
-ATOM  10049  NE  ARG G  11      66.691 154.346  32.895  1.00 44.56           N  
-ATOM  10050  CZ  ARG G  11      67.429 155.308  33.485  1.00 47.23           C  
-ATOM  10051  NH1 ARG G  11      67.809 156.398  32.807  1.00 47.28           N  
-ATOM  10052  NH2 ARG G  11      67.789 155.178  34.764  1.00 47.35           N  
-ATOM  10053  N   GLN G  12      62.813 150.776  29.242  1.00 22.57           N  
-ATOM  10054  CA  GLN G  12      61.642 150.156  29.882  1.00 23.11           C  
-ATOM  10055  C   GLN G  12      61.528 148.640  29.675  1.00 24.03           C  
-ATOM  10056  O   GLN G  12      60.944 147.947  30.496  1.00 24.75           O  
-ATOM  10057  CB  GLN G  12      60.358 150.838  29.393  1.00 22.94           C  
-ATOM  10058  CG  GLN G  12      60.157 152.244  29.912  1.00 23.77           C  
-ATOM  10059  CD  GLN G  12      60.136 152.277  31.428  1.00 28.11           C  
-ATOM  10060  OE1 GLN G  12      59.267 151.668  32.045  1.00 27.13           O  
-ATOM  10061  NE2 GLN G  12      61.104 152.963  32.029  1.00 29.45           N  
-ATOM  10062  N   THR G  13      62.068 148.132  28.572  1.00 24.26           N  
-ATOM  10063  CA  THR G  13      61.870 146.743  28.216  1.00 24.58           C  
-ATOM  10064  C   THR G  13      63.211 146.002  28.178  1.00 26.81           C  
-ATOM  10065  O   THR G  13      63.240 144.766  28.083  1.00 26.96           O  
-ATOM  10066  CB  THR G  13      61.154 146.621  26.863  1.00 24.06           C  
-ATOM  10067  OG1 THR G  13      61.913 147.305  25.864  1.00 21.93           O  
-ATOM  10068  CG2 THR G  13      59.797 147.351  26.874  1.00 21.37           C  
-ATOM  10069  N   SER G  14      64.316 146.760  28.249  1.00 27.91           N  
-ATOM  10070  CA  SER G  14      65.661 146.169  28.400  1.00 28.31           C  
-ATOM  10071  C   SER G  14      65.583 145.028  29.383  1.00 27.82           C  
-ATOM  10072  O   SER G  14      64.937 145.133  30.452  1.00 29.56           O  
-ATOM  10073  CB  SER G  14      66.632 147.185  29.005  1.00 28.64           C  
-ATOM  10074  OG  SER G  14      66.218 147.575  30.331  1.00 29.15           O  
-ATOM  10075  N   ARG G  15      66.210 143.926  29.051  1.00 26.07           N  
-ATOM  10076  CA  ARG G  15      66.366 142.926  30.078  1.00 24.66           C  
-ATOM  10077  C   ARG G  15      67.853 142.597  30.165  1.00 22.54           C  
-ATOM  10078  O   ARG G  15      68.280 141.633  29.585  1.00 23.14           O  
-ATOM  10079  CB  ARG G  15      65.485 141.723  29.772  1.00 23.62           C  
-ATOM  10080  CG  ARG G  15      64.055 141.931  30.166  1.00 25.08           C  
-ATOM  10081  CD  ARG G  15      63.818 141.991  31.702  1.00 26.51           C  
-ATOM  10082  NE  ARG G  15      64.324 140.776  32.369  1.00 26.80           N  
-ATOM  10083  CZ  ARG G  15      63.641 139.623  32.480  1.00 22.82           C  
-ATOM  10084  NH1 ARG G  15      62.405 139.524  32.024  1.00 23.41           N  
-ATOM  10085  NH2 ARG G  15      64.192 138.588  33.082  1.00 20.29           N  
-ATOM  10086  N   PRO G  16      68.615 143.391  30.919  1.00 21.52           N  
-ATOM  10087  CA  PRO G  16      70.098 143.352  30.870  1.00 20.57           C  
-ATOM  10088  C   PRO G  16      70.701 142.046  31.386  1.00 20.05           C  
-ATOM  10089  O   PRO G  16      71.859 141.703  31.063  1.00 20.09           O  
-ATOM  10090  CB  PRO G  16      70.547 144.522  31.769  1.00 21.05           C  
-ATOM  10091  CG  PRO G  16      69.291 145.203  32.298  1.00 20.91           C  
-ATOM  10092  CD  PRO G  16      68.099 144.319  31.948  1.00 20.83           C  
-ATOM  10093  N   ASP G  17      69.936 141.335  32.195  1.00 18.55           N  
-ATOM  10094  CA  ASP G  17      70.401 140.096  32.755  1.00 18.24           C  
-ATOM  10095  C   ASP G  17      70.035 138.920  31.844  1.00 17.53           C  
-ATOM  10096  O   ASP G  17      70.408 137.802  32.143  1.00 15.12           O  
-ATOM  10097  CB  ASP G  17      69.819 139.867  34.151  1.00 18.84           C  
-ATOM  10098  CG  ASP G  17      70.094 141.038  35.109  1.00 22.39           C  
-ATOM  10099  OD1 ASP G  17      71.143 141.745  34.910  1.00 27.30           O  
-ATOM  10100  OD2 ASP G  17      69.310 141.322  36.073  1.00 18.64           O  
-ATOM  10101  N   VAL G  18      69.343 139.199  30.734  1.00 17.49           N  
-ATOM  10102  CA  VAL G  18      68.872 138.143  29.814  1.00 17.59           C  
-ATOM  10103  C   VAL G  18      69.658 138.040  28.490  1.00 17.54           C  
-ATOM  10104  O   VAL G  18      69.584 138.917  27.627  1.00 17.31           O  
-ATOM  10105  CB  VAL G  18      67.379 138.298  29.510  1.00 17.60           C  
-ATOM  10106  CG1 VAL G  18      66.882 137.148  28.601  1.00 17.22           C  
-ATOM  10107  CG2 VAL G  18      66.567 138.382  30.823  1.00 16.17           C  
-ATOM  10108  N   ILE G  19      70.422 136.964  28.344  1.00 17.68           N  
-ATOM  10109  CA  ILE G  19      71.187 136.740  27.119  1.00 18.11           C  
-ATOM  10110  C   ILE G  19      70.222 136.645  25.932  1.00 18.92           C  
-ATOM  10111  O   ILE G  19      69.256 135.881  25.992  1.00 18.59           O  
-ATOM  10112  CB  ILE G  19      72.117 135.511  27.266  1.00 17.96           C  
-ATOM  10113  CG1 ILE G  19      72.954 135.304  25.996  1.00 17.49           C  
-ATOM  10114  CG2 ILE G  19      71.334 134.273  27.681  1.00 16.77           C  
-ATOM  10115  CD1 ILE G  19      73.923 134.111  26.074  1.00 16.02           C  
-ATOM  10116  N   PRO G  20      70.445 137.447  24.885  1.00 19.94           N  
-ATOM  10117  CA  PRO G  20      69.493 137.546  23.769  1.00 21.20           C  
-ATOM  10118  C   PRO G  20      69.631 136.373  22.815  1.00 22.87           C  
-ATOM  10119  O   PRO G  20      69.877 136.518  21.615  1.00 22.90           O  
-ATOM  10120  CB  PRO G  20      69.902 138.848  23.067  1.00 20.76           C  
-ATOM  10121  CG  PRO G  20      71.359 138.940  23.294  1.00 20.65           C  
-ATOM  10122  CD  PRO G  20      71.597 138.346  24.689  1.00 20.23           C  
-ATOM  10123  N   THR G  21      69.469 135.191  23.379  1.00 24.73           N  
-ATOM  10124  CA  THR G  21      69.515 133.968  22.638  1.00 27.23           C  
-ATOM  10125  C   THR G  21      68.268 133.919  21.769  1.00 28.61           C  
-ATOM  10126  O   THR G  21      67.166 134.245  22.237  1.00 28.80           O  
-ATOM  10127  CB  THR G  21      69.561 132.798  23.653  1.00 27.10           C  
-ATOM  10128  OG1 THR G  21      70.871 132.213  23.640  1.00 28.55           O  
-ATOM  10129  CG2 THR G  21      68.638 131.676  23.266  1.00 28.57           C  
-ATOM  10130  N   GLN G  22      68.433 133.529  20.502  1.00 29.23           N  
-ATOM  10131  CA  GLN G  22      67.261 133.202  19.691  1.00 29.73           C  
-ATOM  10132  C   GLN G  22      67.360 131.864  18.972  1.00 29.49           C  
-ATOM  10133  O   GLN G  22      68.373 131.559  18.335  1.00 29.10           O  
-ATOM  10134  CB  GLN G  22      66.905 134.339  18.739  1.00 30.23           C  
-ATOM  10135  CG  GLN G  22      66.395 135.592  19.492  1.00 32.05           C  
-ATOM  10136  CD  GLN G  22      66.711 136.848  18.748  1.00 33.04           C  
-ATOM  10137  OE1 GLN G  22      65.983 137.210  17.812  1.00 34.01           O  
-ATOM  10138  NE2 GLN G  22      67.811 137.511  19.123  1.00 31.96           N  
-ATOM  10139  N   ARG G  23      66.283 131.090  19.112  1.00 29.73           N  
-ATOM  10140  CA  ARG G  23      66.084 129.772  18.490  1.00 29.72           C  
-ATOM  10141  C   ARG G  23      67.097 128.746  18.964  1.00 29.47           C  
-ATOM  10142  O   ARG G  23      67.564 127.937  18.166  1.00 29.47           O  
-ATOM  10143  CB  ARG G  23      66.080 129.862  16.950  1.00 29.75           C  
-ATOM  10144  CG  ARG G  23      65.168 128.846  16.267  1.00 31.54           C  
-ATOM  10145  CD  ARG G  23      63.661 129.078  16.517  1.00 35.05           C  
-ATOM  10146  NE  ARG G  23      63.058 129.958  15.506  1.00 36.73           N  
-ATOM  10147  CZ  ARG G  23      63.048 131.305  15.538  1.00 35.85           C  
-ATOM  10148  NH1 ARG G  23      63.597 132.007  16.538  1.00 34.55           N  
-ATOM  10149  NH2 ARG G  23      62.471 131.952  14.541  1.00 35.08           N  
-ATOM  10150  N   ASP G  24      67.449 128.803  20.253  1.00 29.19           N  
-ATOM  10151  CA  ASP G  24      68.409 127.865  20.864  1.00 29.03           C  
-ATOM  10152  C   ASP G  24      69.859 127.951  20.300  1.00 28.03           C  
-ATOM  10153  O   ASP G  24      70.735 127.140  20.666  1.00 26.97           O  
-ATOM  10154  CB  ASP G  24      67.825 126.414  20.949  1.00 29.55           C  
-ATOM  10155  CG  ASP G  24      68.256 125.480  19.778  1.00 32.19           C  
-ATOM  10156  OD1 ASP G  24      69.488 125.316  19.538  1.00 34.86           O  
-ATOM  10157  OD2 ASP G  24      67.428 124.819  19.078  1.00 31.27           O  
-ATOM  10158  N   ARG G  25      70.096 128.970  19.456  1.00 27.00           N  
-ATOM  10159  CA  ARG G  25      71.424 129.264  18.906  1.00 26.33           C  
-ATOM  10160  C   ARG G  25      72.237 130.170  19.836  1.00 24.92           C  
-ATOM  10161  O   ARG G  25      71.696 131.022  20.538  1.00 24.36           O  
-ATOM  10162  CB  ARG G  25      71.336 129.877  17.498  1.00 26.61           C  
-ATOM  10163  CG  ARG G  25      71.059 128.829  16.390  1.00 31.39           C  
-ATOM  10164  CD  ARG G  25      71.408 129.291  14.958  1.00 36.47           C  
-ATOM  10165  NE  ARG G  25      72.853 129.246  14.676  1.00 39.20           N  
-ATOM  10166  CZ  ARG G  25      73.392 128.788  13.538  1.00 40.36           C  
-ATOM  10167  NH1 ARG G  25      72.618 128.327  12.553  1.00 39.70           N  
-ATOM  10168  NH2 ARG G  25      74.715 128.792  13.380  1.00 40.94           N  
-ATOM  10169  N   PRO G  26      73.551 129.968  19.853  1.00 23.00           N  
-ATOM  10170  CA  PRO G  26      74.430 130.825  20.645  1.00 21.13           C  
-ATOM  10171  C   PRO G  26      74.386 132.268  20.135  1.00 19.92           C  
-ATOM  10172  O   PRO G  26      74.173 132.470  18.950  1.00 19.54           O  
-ATOM  10173  CB  PRO G  26      75.815 130.203  20.423  1.00 20.95           C  
-ATOM  10174  CG  PRO G  26      75.693 129.388  19.181  1.00 21.66           C  
-ATOM  10175  CD  PRO G  26      74.279 128.900  19.136  1.00 22.38           C  
-ATOM  10176  N   VAL G  27      74.538 133.240  21.021  1.00 18.33           N  
-ATOM  10177  CA  VAL G  27      74.765 134.636  20.616  1.00 17.97           C  
-ATOM  10178  C   VAL G  27      76.187 134.771  20.031  1.00 17.33           C  
-ATOM  10179  O   VAL G  27      77.166 134.457  20.698  1.00 16.84           O  
-ATOM  10180  CB  VAL G  27      74.630 135.618  21.826  1.00 17.80           C  
-ATOM  10181  CG1 VAL G  27      75.028 137.038  21.442  1.00 17.47           C  
-ATOM  10182  CG2 VAL G  27      73.212 135.586  22.400  1.00 17.72           C  
-ATOM  10183  N   ALA G  28      76.288 135.208  18.779  1.00 16.64           N  
-ATOM  10184  CA  ALA G  28      77.581 135.300  18.107  1.00 16.23           C  
-ATOM  10185  C   ALA G  28      78.207 136.626  18.454  1.00 16.29           C  
-ATOM  10186  O   ALA G  28      77.711 137.673  18.011  1.00 15.95           O  
-ATOM  10187  CB  ALA G  28      77.442 135.155  16.591  1.00 15.74           C  
-ATOM  10188  N   VAL G  29      79.286 136.574  19.245  1.00 15.98           N  
-ATOM  10189  CA  VAL G  29      79.975 137.757  19.693  1.00 16.32           C  
-ATOM  10190  C   VAL G  29      81.310 137.854  18.949  1.00 17.48           C  
-ATOM  10191  O   VAL G  29      82.095 136.929  18.972  1.00 16.81           O  
-ATOM  10192  CB  VAL G  29      80.220 137.713  21.225  1.00 16.25           C  
-ATOM  10193  CG1 VAL G  29      81.073 138.879  21.681  1.00 14.98           C  
-ATOM  10194  CG2 VAL G  29      78.878 137.623  21.990  1.00 15.51           C  
-ATOM  10195  N   SER G  30      81.548 138.992  18.290  1.00 18.23           N  
-ATOM  10196  CA  SER G  30      82.853 139.291  17.730  1.00 19.14           C  
-ATOM  10197  C   SER G  30      83.654 140.187  18.669  1.00 19.46           C  
-ATOM  10198  O   SER G  30      83.121 141.130  19.235  1.00 19.56           O  
-ATOM  10199  CB  SER G  30      82.721 139.960  16.378  1.00 18.73           C  
-ATOM  10200  OG  SER G  30      81.908 139.189  15.545  1.00 21.20           O  
-ATOM  10201  N   VAL G  31      84.932 139.858  18.827  1.00 19.85           N  
-ATOM  10202  CA  VAL G  31      85.853 140.636  19.617  1.00 20.86           C  
-ATOM  10203  C   VAL G  31      87.126 140.888  18.837  1.00 21.31           C  
-ATOM  10204  O   VAL G  31      87.632 140.028  18.109  1.00 21.34           O  
-ATOM  10205  CB  VAL G  31      86.286 139.939  20.904  1.00 21.61           C  
-ATOM  10206  CG1 VAL G  31      86.649 141.015  21.985  1.00 21.30           C  
-ATOM  10207  CG2 VAL G  31      85.209 139.023  21.416  1.00 22.45           C  
-ATOM  10208  N   SER G  32      87.655 142.082  19.025  1.00 21.59           N  
-ATOM  10209  CA  SER G  32      88.859 142.493  18.382  1.00 22.65           C  
-ATOM  10210  C   SER G  32      89.500 143.527  19.259  1.00 22.43           C  
-ATOM  10211  O   SER G  32      88.817 144.384  19.800  1.00 22.70           O  
-ATOM  10212  CB  SER G  32      88.512 143.066  17.022  1.00 22.88           C  
-ATOM  10213  OG  SER G  32      89.634 143.707  16.473  1.00 27.37           O  
-ATOM  10214  N   LEU G  33      90.802 143.420  19.457  1.00 22.24           N  
-ATOM  10215  CA  LEU G  33      91.497 144.361  20.328  1.00 21.72           C  
-ATOM  10216  C   LEU G  33      92.310 145.282  19.439  1.00 21.69           C  
-ATOM  10217  O   LEU G  33      93.073 144.821  18.585  1.00 21.78           O  
-ATOM  10218  CB  LEU G  33      92.384 143.649  21.359  1.00 21.45           C  
-ATOM  10219  CG  LEU G  33      91.827 142.586  22.308  1.00 21.37           C  
-ATOM  10220  CD1 LEU G  33      92.894 142.241  23.345  1.00 19.76           C  
-ATOM  10221  CD2 LEU G  33      90.553 143.005  22.988  1.00 20.53           C  
-ATOM  10222  N   LYS G  34      92.119 146.590  19.605  1.00 21.03           N  
-ATOM  10223  CA  LYS G  34      92.930 147.570  18.899  1.00 20.34           C  
-ATOM  10224  C   LYS G  34      93.909 148.175  19.880  1.00 19.63           C  
-ATOM  10225  O   LYS G  34      93.517 148.916  20.791  1.00 19.36           O  
-ATOM  10226  CB  LYS G  34      92.082 148.674  18.278  1.00 20.99           C  
-ATOM  10227  CG  LYS G  34      90.813 148.208  17.599  1.00 23.38           C  
-ATOM  10228  CD  LYS G  34      91.102 147.624  16.221  1.00 27.36           C  
-ATOM  10229  CE  LYS G  34      89.876 146.834  15.733  1.00 30.52           C  
-ATOM  10230  NZ  LYS G  34      90.171 146.077  14.454  1.00 33.52           N  
-ATOM  10231  N   PHE G  35      95.184 147.872  19.691  1.00 18.33           N  
-ATOM  10232  CA  PHE G  35      96.194 148.247  20.684  1.00 17.51           C  
-ATOM  10233  C   PHE G  35      96.580 149.691  20.554  1.00 16.88           C  
-ATOM  10234  O   PHE G  35      96.882 150.154  19.450  1.00 16.70           O  
-ATOM  10235  CB  PHE G  35      97.405 147.297  20.624  1.00 17.15           C  
-ATOM  10236  CG  PHE G  35      97.087 145.891  21.116  1.00 17.57           C  
-ATOM  10237  CD1 PHE G  35      97.039 145.603  22.483  1.00 18.10           C  
-ATOM  10238  CD2 PHE G  35      96.810 144.862  20.214  1.00 18.33           C  
-ATOM  10239  CE1 PHE G  35      96.733 144.306  22.956  1.00 18.87           C  
-ATOM  10240  CE2 PHE G  35      96.498 143.550  20.688  1.00 17.96           C  
-ATOM  10241  CZ  PHE G  35      96.462 143.287  22.043  1.00 17.99           C  
-ATOM  10242  N   ILE G  36      96.541 150.417  21.672  1.00 16.31           N  
-ATOM  10243  CA  ILE G  36      96.778 151.865  21.662  1.00 16.08           C  
-ATOM  10244  C   ILE G  36      98.122 152.184  22.274  1.00 16.56           C  
-ATOM  10245  O   ILE G  36      98.863 153.041  21.773  1.00 15.72           O  
-ATOM  10246  CB  ILE G  36      95.640 152.641  22.393  1.00 16.05           C  
-ATOM  10247  CG1 ILE G  36      94.264 152.129  21.952  1.00 15.55           C  
-ATOM  10248  CG2 ILE G  36      95.752 154.167  22.147  1.00 14.77           C  
-ATOM  10249  CD1 ILE G  36      93.995 152.289  20.409  1.00 13.99           C  
-ATOM  10250  N   ASN G  37      98.436 151.479  23.357  1.00 17.00           N  
-ATOM  10251  CA  ASN G  37      99.696 151.679  24.059  1.00 18.26           C  
-ATOM  10252  C   ASN G  37     100.126 150.468  24.856  1.00 18.69           C  
-ATOM  10253  O   ASN G  37      99.286 149.671  25.286  1.00 18.96           O  
-ATOM  10254  CB  ASN G  37      99.638 152.904  24.980  1.00 17.54           C  
-ATOM  10255  CG  ASN G  37     100.817 153.826  24.786  1.00 19.77           C  
-ATOM  10256  OD1 ASN G  37     101.999 153.403  24.763  1.00 19.61           O  
-ATOM  10257  ND2 ASN G  37     100.522 155.092  24.644  1.00 16.57           N  
-ATOM  10258  N   ILE G  38     101.444 150.340  25.012  1.00 19.12           N  
-ATOM  10259  CA  ILE G  38     102.062 149.381  25.907  1.00 19.61           C  
-ATOM  10260  C   ILE G  38     102.872 150.209  26.887  1.00 20.19           C  
-ATOM  10261  O   ILE G  38     103.830 150.857  26.498  1.00 20.58           O  
-ATOM  10262  CB  ILE G  38     102.938 148.397  25.141  1.00 19.72           C  
-ATOM  10263  CG1 ILE G  38     102.098 147.584  24.161  1.00 19.63           C  
-ATOM  10264  CG2 ILE G  38     103.631 147.446  26.118  1.00 19.41           C  
-ATOM  10265  CD1 ILE G  38     102.877 147.030  22.999  1.00 19.77           C  
-ATOM  10266  N   LEU G  39     102.461 150.208  28.147  1.00 21.14           N  
-ATOM  10267  CA  LEU G  39     102.902 151.211  29.121  1.00 22.00           C  
-ATOM  10268  C   LEU G  39     104.001 150.698  30.010  1.00 22.47           C  
-ATOM  10269  O   LEU G  39     104.816 151.467  30.524  1.00 23.32           O  
-ATOM  10270  CB  LEU G  39     101.736 151.640  30.011  1.00 21.75           C  
-ATOM  10271  CG  LEU G  39     100.558 152.211  29.226  1.00 22.98           C  
-ATOM  10272  CD1 LEU G  39      99.387 152.387  30.127  1.00 23.71           C  
-ATOM  10273  CD2 LEU G  39     100.927 153.524  28.567  1.00 23.10           C  
-ATOM  10274  N   GLU G  40     104.011 149.395  30.227  1.00 22.72           N  
-ATOM  10275  CA  GLU G  40     105.026 148.830  31.106  1.00 23.12           C  
-ATOM  10276  C   GLU G  40     105.173 147.374  30.780  1.00 22.25           C  
-ATOM  10277  O   GLU G  40     104.178 146.693  30.508  1.00 22.86           O  
-ATOM  10278  CB  GLU G  40     104.655 149.013  32.582  1.00 23.42           C  
-ATOM  10279  CG  GLU G  40     105.768 148.566  33.525  1.00 27.25           C  
-ATOM  10280  CD  GLU G  40     105.422 148.718  35.007  1.00 32.06           C  
-ATOM  10281  OE1 GLU G  40     104.250 148.505  35.393  1.00 33.18           O  
-ATOM  10282  OE2 GLU G  40     106.335 149.033  35.798  1.00 33.41           O  
-ATOM  10283  N   VAL G  41     106.412 146.921  30.777  1.00 21.14           N  
-ATOM  10284  CA  VAL G  41     106.767 145.578  30.399  1.00 20.67           C  
-ATOM  10285  C   VAL G  41     107.815 145.143  31.432  1.00 20.30           C  
-ATOM  10286  O   VAL G  41     108.708 145.916  31.815  1.00 19.43           O  
-ATOM  10287  CB  VAL G  41     107.288 145.559  28.931  1.00 20.85           C  
-ATOM  10288  CG1 VAL G  41     108.322 144.480  28.697  1.00 20.92           C  
-ATOM  10289  CG2 VAL G  41     106.127 145.433  27.940  1.00 20.32           C  
-ATOM  10290  N   ASN G  42     107.668 143.928  31.929  1.00 20.17           N  
-ATOM  10291  CA  ASN G  42     108.645 143.379  32.870  1.00 20.50           C  
-ATOM  10292  C   ASN G  42     109.055 142.009  32.423  1.00 20.63           C  
-ATOM  10293  O   ASN G  42     108.259 141.075  32.515  1.00 20.30           O  
-ATOM  10294  CB  ASN G  42     108.066 143.348  34.283  1.00 20.40           C  
-ATOM  10295  CG  ASN G  42     109.117 143.083  35.364  1.00 20.79           C  
-ATOM  10296  OD1 ASN G  42     109.973 142.201  35.230  1.00 21.32           O  
-ATOM  10297  ND2 ASN G  42     109.034 143.835  36.451  1.00 19.22           N  
-ATOM  10298  N   GLU G  43     110.283 141.896  31.918  1.00 21.20           N  
-ATOM  10299  CA  GLU G  43     110.768 140.646  31.357  1.00 21.85           C  
-ATOM  10300  C   GLU G  43     111.066 139.624  32.460  1.00 21.97           C  
-ATOM  10301  O   GLU G  43     111.013 138.416  32.206  1.00 21.73           O  
-ATOM  10302  CB  GLU G  43     111.995 140.871  30.438  1.00 22.45           C  
-ATOM  10303  CG  GLU G  43     112.099 139.873  29.275  1.00 24.32           C  
-ATOM  10304  CD  GLU G  43     113.314 140.064  28.357  1.00 27.18           C  
-ATOM  10305  OE1 GLU G  43     113.795 141.212  28.159  1.00 28.60           O  
-ATOM  10306  OE2 GLU G  43     113.779 139.049  27.798  1.00 27.31           O  
-ATOM  10307  N   ILE G  44     111.372 140.103  33.672  1.00 21.90           N  
-ATOM  10308  CA  ILE G  44     111.629 139.222  34.814  1.00 21.89           C  
-ATOM  10309  C   ILE G  44     110.331 138.542  35.287  1.00 21.61           C  
-ATOM  10310  O   ILE G  44     110.304 137.312  35.464  1.00 21.55           O  
-ATOM  10311  CB  ILE G  44     112.330 139.980  36.005  1.00 22.37           C  
-ATOM  10312  CG1 ILE G  44     113.623 140.706  35.565  1.00 22.84           C  
-ATOM  10313  CG2 ILE G  44     112.592 139.018  37.208  1.00 22.48           C  
-ATOM  10314  CD1 ILE G  44     114.689 139.800  34.939  1.00 24.15           C  
-ATOM  10315  N   THR G  45     109.275 139.341  35.472  1.00 20.80           N  
-ATOM  10316  CA  THR G  45     108.008 138.844  36.000  1.00 20.53           C  
-ATOM  10317  C   THR G  45     107.029 138.354  34.941  1.00 19.91           C  
-ATOM  10318  O   THR G  45     106.006 137.782  35.289  1.00 19.62           O  
-ATOM  10319  CB  THR G  45     107.280 139.893  36.894  1.00 20.37           C  
-ATOM  10320  OG1 THR G  45     106.900 141.025  36.101  1.00 20.84           O  
-ATOM  10321  CG2 THR G  45     108.221 140.453  37.967  1.00 20.35           C  
-ATOM  10322  N   ASN G  46     107.363 138.569  33.669  1.00 19.46           N  
-ATOM  10323  CA  ASN G  46     106.482 138.257  32.549  1.00 18.83           C  
-ATOM  10324  C   ASN G  46     105.112 138.943  32.660  1.00 18.76           C  
-ATOM  10325  O   ASN G  46     104.062 138.300  32.600  1.00 18.20           O  
-ATOM  10326  CB  ASN G  46     106.344 136.750  32.381  1.00 18.41           C  
-ATOM  10327  CG  ASN G  46     107.394 136.176  31.439  1.00 18.49           C  
-ATOM  10328  OD1 ASN G  46     107.854 136.846  30.501  1.00 17.65           O  
-ATOM  10329  ND2 ASN G  46     107.771 134.936  31.681  1.00 15.41           N  
-ATOM  10330  N   GLU G  47     105.143 140.262  32.823  1.00 18.90           N  
-ATOM  10331  CA  GLU G  47     103.935 141.045  33.025  1.00 19.39           C  
-ATOM  10332  C   GLU G  47     103.953 142.262  32.105  1.00 19.58           C  
-ATOM  10333  O   GLU G  47     105.008 142.845  31.858  1.00 19.43           O  
-ATOM  10334  CB  GLU G  47     103.808 141.473  34.488  1.00 19.67           C  
-ATOM  10335  CG  GLU G  47     103.486 140.332  35.454  1.00 21.50           C  
-ATOM  10336  CD  GLU G  47     103.527 140.736  36.928  1.00 25.84           C  
-ATOM  10337  OE1 GLU G  47     103.234 141.907  37.223  1.00 28.12           O  
-ATOM  10338  OE2 GLU G  47     103.818 139.872  37.807  1.00 28.00           O  
-ATOM  10339  N   VAL G  48     102.790 142.617  31.573  1.00 19.49           N  
-ATOM  10340  CA  VAL G  48     102.650 143.760  30.662  1.00 20.19           C  
-ATOM  10341  C   VAL G  48     101.411 144.581  31.027  1.00 20.27           C  
-ATOM  10342  O   VAL G  48     100.362 144.031  31.370  1.00 19.68           O  
-ATOM  10343  CB  VAL G  48     102.582 143.362  29.136  1.00 20.08           C  
-ATOM  10344  CG1 VAL G  48     103.750 142.559  28.734  1.00 20.61           C  
-ATOM  10345  CG2 VAL G  48     101.358 142.555  28.815  1.00 20.70           C  
-ATOM  10346  N   ASP G  49     101.562 145.899  30.948  1.00 20.67           N  
-ATOM  10347  CA  ASP G  49     100.482 146.862  31.154  1.00 21.35           C  
-ATOM  10348  C   ASP G  49     100.112 147.432  29.762  1.00 21.04           C  
-ATOM  10349  O   ASP G  49     100.949 147.967  29.035  1.00 20.65           O  
-ATOM  10350  CB  ASP G  49     101.016 147.944  32.092  1.00 22.36           C  
-ATOM  10351  CG  ASP G  49      99.936 148.703  32.862  1.00 25.09           C  
-ATOM  10352  OD1 ASP G  49      98.741 148.657  32.515  1.00 28.74           O  
-ATOM  10353  OD2 ASP G  49     100.223 149.436  33.845  1.00 28.97           O  
-ATOM  10354  N   VAL G  50      98.857 147.282  29.359  1.00 20.86           N  
-ATOM  10355  CA  VAL G  50      98.458 147.633  28.004  1.00 20.56           C  
-ATOM  10356  C   VAL G  50      97.150 148.440  27.967  1.00 19.52           C  
-ATOM  10357  O   VAL G  50      96.293 148.268  28.811  1.00 18.97           O  
-ATOM  10358  CB  VAL G  50      98.235 146.355  27.166  1.00 20.93           C  
-ATOM  10359  CG1 VAL G  50      97.807 146.719  25.753  1.00 22.76           C  
-ATOM  10360  CG2 VAL G  50      99.494 145.526  27.075  1.00 22.51           C  
-ATOM  10361  N   VAL G  51      97.006 149.280  26.946  1.00 18.58           N  
-ATOM  10362  CA  VAL G  51      95.763 149.988  26.649  1.00 17.44           C  
-ATOM  10363  C   VAL G  51      95.299 149.577  25.247  1.00 16.92           C  
-ATOM  10364  O   VAL G  51      96.064 149.625  24.303  1.00 16.38           O  
-ATOM  10365  CB  VAL G  51      95.949 151.520  26.663  1.00 17.65           C  
-ATOM  10366  CG1 VAL G  51      94.652 152.215  26.261  1.00 17.24           C  
-ATOM  10367  CG2 VAL G  51      96.453 151.993  28.013  1.00 17.31           C  
-ATOM  10368  N   PHE G  52      94.041 149.184  25.115  1.00 15.16           N  
-ATOM  10369  CA  PHE G  52      93.475 148.798  23.836  1.00 14.63           C  
-ATOM  10370  C   PHE G  52      91.979 149.176  23.779  1.00 15.97           C  
-ATOM  10371  O   PHE G  52      91.275 149.338  24.797  1.00 17.06           O  
-ATOM  10372  CB  PHE G  52      93.649 147.275  23.596  1.00 13.83           C  
-ATOM  10373  CG  PHE G  52      93.134 146.449  24.715  1.00 13.18           C  
-ATOM  10374  CD1 PHE G  52      93.930 146.177  25.807  1.00 12.36           C  
-ATOM  10375  CD2 PHE G  52      91.819 146.024  24.727  1.00 15.12           C  
-ATOM  10376  CE1 PHE G  52      93.427 145.438  26.901  1.00 18.30           C  
-ATOM  10377  CE2 PHE G  52      91.285 145.287  25.837  1.00 15.11           C  
-ATOM  10378  CZ  PHE G  52      92.088 144.979  26.902  1.00 14.59           C  
-ATOM  10379  N   TRP G  53      91.468 149.282  22.576  1.00 16.40           N  
-ATOM  10380  CA  TRP G  53      90.036 149.370  22.406  1.00 17.33           C  
-ATOM  10381  C   TRP G  53      89.480 147.956  22.207  1.00 18.07           C  
-ATOM  10382  O   TRP G  53      89.929 147.243  21.289  1.00 18.11           O  
-ATOM  10383  CB  TRP G  53      89.728 150.263  21.221  1.00 16.43           C  
-ATOM  10384  CG  TRP G  53      90.269 151.627  21.355  1.00 16.58           C  
-ATOM  10385  CD1 TRP G  53      90.724 152.255  22.506  1.00 16.87           C  
-ATOM  10386  CD2 TRP G  53      90.400 152.591  20.304  1.00 16.61           C  
-ATOM  10387  NE1 TRP G  53      91.146 153.527  22.206  1.00 16.98           N  
-ATOM  10388  CE2 TRP G  53      90.968 153.755  20.864  1.00 17.05           C  
-ATOM  10389  CE3 TRP G  53      90.124 152.575  18.928  1.00 18.34           C  
-ATOM  10390  CZ2 TRP G  53      91.244 154.894  20.101  1.00 18.98           C  
-ATOM  10391  CZ3 TRP G  53      90.403 153.705  18.174  1.00 19.51           C  
-ATOM  10392  CH2 TRP G  53      90.957 154.849  18.760  1.00 19.16           C  
-ATOM  10393  N   GLN G  54      88.547 147.538  23.059  1.00 18.44           N  
-ATOM  10394  CA  GLN G  54      87.976 146.197  22.946  1.00 19.76           C  
-ATOM  10395  C   GLN G  54      86.684 146.297  22.133  1.00 19.69           C  
-ATOM  10396  O   GLN G  54      85.574 146.484  22.671  1.00 19.25           O  
-ATOM  10397  CB  GLN G  54      87.706 145.589  24.327  1.00 20.08           C  
-ATOM  10398  CG  GLN G  54      87.197 144.155  24.311  1.00 22.96           C  
-ATOM  10399  CD  GLN G  54      87.266 143.531  25.693  1.00 27.72           C  
-ATOM  10400  OE1 GLN G  54      88.356 143.404  26.286  1.00 29.63           O  
-ATOM  10401  NE2 GLN G  54      86.120 143.166  26.223  1.00 29.41           N  
-ATOM  10402  N   GLN G  55      86.849 146.208  20.827  1.00 19.40           N  
-ATOM  10403  CA  GLN G  55      85.739 146.299  19.911  1.00 19.96           C  
-ATOM  10404  C   GLN G  55      84.909 145.035  20.043  1.00 20.20           C  
-ATOM  10405  O   GLN G  55      85.394 143.940  19.706  1.00 19.59           O  
-ATOM  10406  CB  GLN G  55      86.241 146.477  18.476  1.00 19.82           C  
-ATOM  10407  CG  GLN G  55      85.115 146.538  17.464  1.00 21.90           C  
-ATOM  10408  CD  GLN G  55      85.606 146.761  16.039  1.00 26.56           C  
-ATOM  10409  OE1 GLN G  55      86.748 147.166  15.826  1.00 28.33           O  
-ATOM  10410  NE2 GLN G  55      84.742 146.496  15.059  1.00 27.01           N  
-ATOM  10411  N   THR G  56      83.682 145.209  20.562  1.00 19.77           N  
-ATOM  10412  CA  THR G  56      82.765 144.108  20.843  1.00 20.06           C  
-ATOM  10413  C   THR G  56      81.433 144.307  20.156  1.00 19.83           C  
-ATOM  10414  O   THR G  56      80.814 145.370  20.291  1.00 19.78           O  
-ATOM  10415  CB  THR G  56      82.539 143.987  22.354  1.00 20.27           C  
-ATOM  10416  OG1 THR G  56      83.783 144.194  22.982  1.00 21.92           O  
-ATOM  10417  CG2 THR G  56      82.191 142.541  22.745  1.00 20.04           C  
-ATOM  10418  N   THR G  57      80.974 143.257  19.490  1.00 19.16           N  
-ATOM  10419  CA  THR G  57      79.872 143.336  18.547  1.00 19.64           C  
-ATOM  10420  C   THR G  57      78.963 142.105  18.708  1.00 19.03           C  
-ATOM  10421  O   THR G  57      79.458 140.978  18.936  1.00 18.43           O  
-ATOM  10422  CB  THR G  57      80.473 143.433  17.142  1.00 20.40           C  
-ATOM  10423  OG1 THR G  57      80.255 144.750  16.631  1.00 22.74           O  
-ATOM  10424  CG2 THR G  57      79.802 142.512  16.139  1.00 21.81           C  
-ATOM  10425  N   TRP G  58      77.648 142.343  18.691  1.00 17.66           N  
-ATOM  10426  CA  TRP G  58      76.662 141.277  18.813  1.00 17.79           C  
-ATOM  10427  C   TRP G  58      75.273 141.807  18.466  1.00 17.77           C  
-ATOM  10428  O   TRP G  58      75.042 143.000  18.387  1.00 17.71           O  
-ATOM  10429  CB  TRP G  58      76.643 140.634  20.212  1.00 16.81           C  
-ATOM  10430  CG  TRP G  58      76.057 141.515  21.228  1.00 16.80           C  
-ATOM  10431  CD1 TRP G  58      74.751 141.572  21.616  1.00 16.64           C  
-ATOM  10432  CD2 TRP G  58      76.743 142.515  21.979  1.00 15.34           C  
-ATOM  10433  NE1 TRP G  58      74.592 142.532  22.585  1.00 15.65           N  
-ATOM  10434  CE2 TRP G  58      75.792 143.139  22.813  1.00 14.17           C  
-ATOM  10435  CE3 TRP G  58      78.073 142.967  22.015  1.00 14.06           C  
-ATOM  10436  CZ2 TRP G  58      76.114 144.152  23.677  1.00 13.96           C  
-ATOM  10437  CZ3 TRP G  58      78.399 143.970  22.892  1.00 14.50           C  
-ATOM  10438  CH2 TRP G  58      77.422 144.557  23.721  1.00 15.64           C  
-ATOM  10439  N   SER G  59      74.355 140.881  18.284  1.00 18.06           N  
-ATOM  10440  CA  SER G  59      73.012 141.193  17.877  1.00 19.17           C  
-ATOM  10441  C   SER G  59      72.031 140.917  19.012  1.00 18.96           C  
-ATOM  10442  O   SER G  59      72.089 139.881  19.648  1.00 18.73           O  
-ATOM  10443  CB  SER G  59      72.666 140.378  16.618  1.00 19.16           C  
-ATOM  10444  OG  SER G  59      71.275 140.098  16.555  1.00 22.51           O  
-ATOM  10445  N   ASP G  60      71.144 141.868  19.274  1.00 19.51           N  
-ATOM  10446  CA  ASP G  60      70.077 141.685  20.246  1.00 19.88           C  
-ATOM  10447  C   ASP G  60      68.766 142.199  19.650  1.00 19.75           C  
-ATOM  10448  O   ASP G  60      68.479 143.400  19.648  1.00 19.04           O  
-ATOM  10449  CB  ASP G  60      70.429 142.381  21.569  1.00 20.02           C  
-ATOM  10450  CG  ASP G  60      69.410 142.119  22.676  1.00 22.13           C  
-ATOM  10451  OD1 ASP G  60      68.276 141.629  22.408  1.00 22.04           O  
-ATOM  10452  OD2 ASP G  60      69.674 142.381  23.864  1.00 24.32           O  
-ATOM  10453  N   ARG G  61      67.970 141.256  19.172  1.00 20.91           N  
-ATOM  10454  CA  ARG G  61      66.751 141.554  18.401  1.00 21.59           C  
-ATOM  10455  C   ARG G  61      65.639 142.169  19.257  1.00 21.08           C  
-ATOM  10456  O   ARG G  61      64.748 142.820  18.724  1.00 21.30           O  
-ATOM  10457  CB  ARG G  61      66.245 140.302  17.675  1.00 22.24           C  
-ATOM  10458  CG  ARG G  61      66.901 139.982  16.314  1.00 26.01           C  
-ATOM  10459  CD  ARG G  61      67.283 141.188  15.451  1.00 32.68           C  
-ATOM  10460  NE  ARG G  61      66.971 141.023  14.024  1.00 35.91           N  
-ATOM  10461  CZ  ARG G  61      66.359 141.946  13.268  1.00 37.99           C  
-ATOM  10462  NH1 ARG G  61      65.977 143.111  13.788  1.00 38.19           N  
-ATOM  10463  NH2 ARG G  61      66.125 141.706  11.981  1.00 38.25           N  
-ATOM  10464  N   THR G  62      65.712 142.009  20.579  1.00 21.01           N  
-ATOM  10465  CA  THR G  62      64.755 142.678  21.475  1.00 21.33           C  
-ATOM  10466  C   THR G  62      64.939 144.199  21.516  1.00 20.73           C  
-ATOM  10467  O   THR G  62      64.072 144.891  21.982  1.00 20.95           O  
-ATOM  10468  CB  THR G  62      64.792 142.090  22.915  1.00 21.43           C  
-ATOM  10469  OG1 THR G  62      66.057 142.360  23.520  1.00 22.53           O  
-ATOM  10470  CG2 THR G  62      64.723 140.546  22.877  1.00 22.27           C  
-ATOM  10471  N   LEU G  63      66.062 144.700  21.026  1.00 20.08           N  
-ATOM  10472  CA  LEU G  63      66.334 146.141  20.982  1.00 19.90           C  
-ATOM  10473  C   LEU G  63      65.794 146.820  19.719  1.00 19.74           C  
-ATOM  10474  O   LEU G  63      65.687 148.043  19.672  1.00 19.84           O  
-ATOM  10475  CB  LEU G  63      67.832 146.400  21.056  1.00 19.41           C  
-ATOM  10476  CG  LEU G  63      68.570 145.851  22.283  1.00 20.53           C  
-ATOM  10477  CD1 LEU G  63      70.027 146.163  22.130  1.00 18.75           C  
-ATOM  10478  CD2 LEU G  63      68.012 146.429  23.601  1.00 19.69           C  
-ATOM  10479  N   ALA G  64      65.446 146.018  18.716  1.00 19.21           N  
-ATOM  10480  CA  ALA G  64      65.138 146.515  17.374  1.00 19.10           C  
-ATOM  10481  C   ALA G  64      63.930 147.414  17.364  1.00 19.07           C  
-ATOM  10482  O   ALA G  64      63.001 147.226  18.154  1.00 19.26           O  
-ATOM  10483  CB  ALA G  64      64.923 145.338  16.397  1.00 18.78           C  
-ATOM  10484  N   TRP G  65      63.932 148.391  16.460  1.00 18.97           N  
-ATOM  10485  CA  TRP G  65      62.758 149.232  16.241  1.00 18.64           C  
-ATOM  10486  C   TRP G  65      62.647 149.554  14.766  1.00 19.32           C  
-ATOM  10487  O   TRP G  65      63.623 149.442  14.034  1.00 18.89           O  
-ATOM  10488  CB  TRP G  65      62.830 150.515  17.057  1.00 17.94           C  
-ATOM  10489  CG  TRP G  65      63.933 151.475  16.638  1.00 16.38           C  
-ATOM  10490  CD1 TRP G  65      63.826 152.492  15.760  1.00 15.05           C  
-ATOM  10491  CD2 TRP G  65      65.293 151.497  17.100  1.00 14.25           C  
-ATOM  10492  NE1 TRP G  65      65.020 153.160  15.632  1.00 13.46           N  
-ATOM  10493  CE2 TRP G  65      65.944 152.571  16.444  1.00 13.09           C  
-ATOM  10494  CE3 TRP G  65      66.027 150.728  17.999  1.00 13.00           C  
-ATOM  10495  CZ2 TRP G  65      67.285 152.878  16.648  1.00 11.93           C  
-ATOM  10496  CZ3 TRP G  65      67.381 151.050  18.208  1.00 12.78           C  
-ATOM  10497  CH2 TRP G  65      67.982 152.108  17.529  1.00 12.09           C  
-ATOM  10498  N   ASN G  66      61.452 149.955  14.347  1.00 19.81           N  
-ATOM  10499  CA  ASN G  66      61.187 150.365  12.982  1.00 20.81           C  
-ATOM  10500  C   ASN G  66      61.715 151.789  12.766  1.00 21.04           C  
-ATOM  10501  O   ASN G  66      61.180 152.745  13.339  1.00 21.11           O  
-ATOM  10502  CB  ASN G  66      59.676 150.310  12.726  1.00 21.20           C  
-ATOM  10503  CG  ASN G  66      59.310 150.518  11.262  1.00 22.99           C  
-ATOM  10504  OD1 ASN G  66      60.023 151.197  10.520  1.00 23.60           O  
-ATOM  10505  ND2 ASN G  66      58.179 149.940  10.840  1.00 25.19           N  
-ATOM  10506  N   SER G  67      62.752 151.939  11.934  1.00 22.32           N  
-ATOM  10507  CA  SER G  67      63.393 153.246  11.687  1.00 22.33           C  
-ATOM  10508  C   SER G  67      63.100 153.880  10.309  1.00 22.80           C  
-ATOM  10509  O   SER G  67      63.908 154.674   9.803  1.00 22.91           O  
-ATOM  10510  CB  SER G  67      64.911 153.133  11.885  1.00 22.51           C  
-ATOM  10511  OG  SER G  67      65.516 152.586  10.726  1.00 22.35           O  
-ATOM  10512  N   SER G  68      61.953 153.558   9.708  1.00 22.71           N  
-ATOM  10513  CA  SER G  68      61.620 154.102   8.387  1.00 22.60           C  
-ATOM  10514  C   SER G  68      61.418 155.621   8.425  1.00 22.84           C  
-ATOM  10515  O   SER G  68      61.787 156.321   7.478  1.00 22.41           O  
-ATOM  10516  CB  SER G  68      60.421 153.391   7.769  1.00 22.07           C  
-ATOM  10517  OG  SER G  68      59.348 153.305   8.683  1.00 22.01           O  
-ATOM  10518  N   HIS G  69      60.838 156.124   9.512  1.00 22.94           N  
-ATOM  10519  CA  HIS G  69      60.828 157.560   9.764  1.00 23.63           C  
-ATOM  10520  C   HIS G  69      61.474 157.880  11.121  1.00 23.45           C  
-ATOM  10521  O   HIS G  69      60.948 158.684  11.892  1.00 24.22           O  
-ATOM  10522  CB  HIS G  69      59.397 158.151   9.698  1.00 24.03           C  
-ATOM  10523  CG  HIS G  69      58.672 157.922   8.396  1.00 24.93           C  
-ATOM  10524  ND1 HIS G  69      59.243 157.295   7.308  1.00 25.87           N  
-ATOM  10525  CD2 HIS G  69      57.404 158.229   8.025  1.00 26.59           C  
-ATOM  10526  CE1 HIS G  69      58.361 157.221   6.326  1.00 27.03           C  
-ATOM  10527  NE2 HIS G  69      57.235 157.780   6.735  1.00 27.24           N  
-ATOM  10528  N   SER G  70      62.621 157.279  11.416  1.00 22.47           N  
-ATOM  10529  CA  SER G  70      63.263 157.509  12.705  1.00 22.12           C  
-ATOM  10530  C   SER G  70      64.769 157.361  12.605  1.00 21.72           C  
-ATOM  10531  O   SER G  70      65.263 156.709  11.692  1.00 21.54           O  
-ATOM  10532  CB  SER G  70      62.731 156.503  13.755  1.00 22.11           C  
-ATOM  10533  OG  SER G  70      61.308 156.561  13.872  1.00 22.52           O  
-ATOM  10534  N   PRO G  71      65.499 157.950  13.548  1.00 21.48           N  
-ATOM  10535  CA  PRO G  71      66.944 157.692  13.683  1.00 21.29           C  
-ATOM  10536  C   PRO G  71      67.205 156.201  13.695  1.00 20.91           C  
-ATOM  10537  O   PRO G  71      66.442 155.468  14.326  1.00 20.39           O  
-ATOM  10538  CB  PRO G  71      67.269 158.277  15.047  1.00 21.09           C  
-ATOM  10539  CG  PRO G  71      66.284 159.400  15.189  1.00 21.57           C  
-ATOM  10540  CD  PRO G  71      65.021 158.938  14.532  1.00 21.49           C  
-ATOM  10541  N   ASP G  72      68.237 155.750  12.997  1.00 20.71           N  
-ATOM  10542  CA  ASP G  72      68.479 154.311  12.951  1.00 21.47           C  
-ATOM  10543  C   ASP G  72      69.565 153.809  13.918  1.00 20.25           C  
-ATOM  10544  O   ASP G  72      69.794 152.610  14.004  1.00 20.18           O  
-ATOM  10545  CB  ASP G  72      68.709 153.839  11.514  1.00 22.50           C  
-ATOM  10546  CG  ASP G  72      70.102 154.114  11.048  1.00 26.43           C  
-ATOM  10547  OD1 ASP G  72      70.619 155.235  11.324  1.00 30.03           O  
-ATOM  10548  OD2 ASP G  72      70.761 153.266  10.404  1.00 31.65           O  
-ATOM  10549  N   GLN G  73      70.190 154.723  14.668  1.00 18.84           N  
-ATOM  10550  CA  GLN G  73      71.184 154.379  15.709  1.00 17.83           C  
-ATOM  10551  C   GLN G  73      71.062 155.303  16.921  1.00 16.49           C  
-ATOM  10552  O   GLN G  73      70.713 156.468  16.790  1.00 15.76           O  
-ATOM  10553  CB  GLN G  73      72.609 154.563  15.196  1.00 17.86           C  
-ATOM  10554  CG  GLN G  73      73.051 153.552  14.189  1.00 20.96           C  
-ATOM  10555  CD  GLN G  73      74.551 153.600  13.940  1.00 22.58           C  
-ATOM  10556  OE1 GLN G  73      75.349 153.765  14.878  1.00 23.86           O  
-ATOM  10557  NE2 GLN G  73      74.930 153.428  12.695  1.00 20.09           N  
-ATOM  10558  N   VAL G  74      71.367 154.781  18.086  1.00 14.91           N  
-ATOM  10559  CA  VAL G  74      71.438 155.588  19.292  1.00 14.45           C  
-ATOM  10560  C   VAL G  74      72.578 155.103  20.170  1.00 15.01           C  
-ATOM  10561  O   VAL G  74      73.036 153.935  20.022  1.00 14.54           O  
-ATOM  10562  CB  VAL G  74      70.139 155.509  20.137  1.00 14.75           C  
-ATOM  10563  CG1 VAL G  74      68.979 156.255  19.472  1.00 13.89           C  
-ATOM  10564  CG2 VAL G  74      69.756 154.083  20.498  1.00 12.40           C  
-ATOM  10565  N   SER G  75      73.065 155.993  21.040  1.00 14.52           N  
-ATOM  10566  CA  SER G  75      73.973 155.621  22.116  1.00 15.28           C  
-ATOM  10567  C   SER G  75      73.208 155.269  23.393  1.00 15.56           C  
-ATOM  10568  O   SER G  75      72.305 155.983  23.806  1.00 15.94           O  
-ATOM  10569  CB  SER G  75      74.952 156.743  22.428  1.00 15.21           C  
-ATOM  10570  OG  SER G  75      75.769 156.983  21.325  1.00 15.10           O  
-ATOM  10571  N   VAL G  76      73.553 154.150  24.000  1.00 15.79           N  
-ATOM  10572  CA  VAL G  76      72.779 153.640  25.130  1.00 15.77           C  
-ATOM  10573  C   VAL G  76      73.742 153.259  26.251  1.00 16.31           C  
-ATOM  10574  O   VAL G  76      74.729 152.554  25.992  1.00 15.95           O  
-ATOM  10575  CB  VAL G  76      71.991 152.396  24.708  1.00 16.46           C  
-ATOM  10576  CG1 VAL G  76      71.060 151.903  25.847  1.00 14.91           C  
-ATOM  10577  CG2 VAL G  76      71.210 152.639  23.404  1.00 14.77           C  
-ATOM  10578  N   PRO G  77      73.490 153.710  27.480  1.00 17.00           N  
-ATOM  10579  CA  PRO G  77      74.305 153.283  28.631  1.00 17.04           C  
-ATOM  10580  C   PRO G  77      74.317 151.740  28.680  1.00 17.26           C  
-ATOM  10581  O   PRO G  77      73.240 151.149  28.537  1.00 16.58           O  
-ATOM  10582  CB  PRO G  77      73.526 153.815  29.842  1.00 17.14           C  
-ATOM  10583  CG  PRO G  77      72.625 154.889  29.307  1.00 17.78           C  
-ATOM  10584  CD  PRO G  77      72.408 154.649  27.854  1.00 17.09           C  
-ATOM  10585  N   ILE G  78      75.468 151.113  28.909  1.00 17.83           N  
-ATOM  10586  CA  ILE G  78      75.505 149.628  28.934  1.00 19.31           C  
-ATOM  10587  C   ILE G  78      74.706 149.030  30.089  1.00 20.08           C  
-ATOM  10588  O   ILE G  78      74.321 147.851  30.046  1.00 20.39           O  
-ATOM  10589  CB  ILE G  78      76.946 149.063  28.912  1.00 19.94           C  
-ATOM  10590  CG1 ILE G  78      77.708 149.442  30.197  1.00 20.61           C  
-ATOM  10591  CG2 ILE G  78      77.689 149.489  27.653  1.00 18.64           C  
-ATOM  10592  CD1 ILE G  78      78.919 148.577  30.457  1.00 23.34           C  
-ATOM  10593  N   SER G  79      74.402 149.839  31.098  1.00 20.16           N  
-ATOM  10594  CA  SER G  79      73.532 149.398  32.208  1.00 21.16           C  
-ATOM  10595  C   SER G  79      72.098 149.117  31.757  1.00 21.09           C  
-ATOM  10596  O   SER G  79      71.353 148.439  32.464  1.00 21.14           O  
-ATOM  10597  CB  SER G  79      73.547 150.418  33.363  1.00 21.85           C  
-ATOM  10598  OG  SER G  79      72.908 151.637  32.985  1.00 24.56           O  
-ATOM  10599  N   SER G  80      71.712 149.609  30.580  1.00 20.63           N  
-ATOM  10600  CA  SER G  80      70.381 149.356  30.038  1.00 20.80           C  
-ATOM  10601  C   SER G  80      70.375 148.221  29.013  1.00 20.46           C  
-ATOM  10602  O   SER G  80      69.365 147.985  28.368  1.00 21.11           O  
-ATOM  10603  CB  SER G  80      69.859 150.624  29.334  1.00 20.96           C  
-ATOM  10604  OG  SER G  80      69.574 151.642  30.265  1.00 24.23           O  
-ATOM  10605  N   LEU G  81      71.501 147.546  28.835  1.00 19.80           N  
-ATOM  10606  CA  LEU G  81      71.669 146.545  27.782  1.00 19.67           C  
-ATOM  10607  C   LEU G  81      72.260 145.297  28.372  1.00 18.65           C  
-ATOM  10608  O   LEU G  81      73.072 145.366  29.277  1.00 17.93           O  
-ATOM  10609  CB  LEU G  81      72.671 147.021  26.710  1.00 20.37           C  
-ATOM  10610  CG  LEU G  81      72.415 148.244  25.848  1.00 21.64           C  
-ATOM  10611  CD1 LEU G  81      73.498 148.357  24.813  1.00 22.51           C  
-ATOM  10612  CD2 LEU G  81      71.100 148.086  25.170  1.00 24.32           C  
-ATOM  10613  N   TRP G  82      71.894 144.143  27.823  1.00 18.08           N  
-ATOM  10614  CA  TRP G  82      72.711 142.953  28.056  1.00 17.65           C  
-ATOM  10615  C   TRP G  82      74.029 143.125  27.320  1.00 17.67           C  
-ATOM  10616  O   TRP G  82      74.061 143.531  26.163  1.00 17.49           O  
-ATOM  10617  CB  TRP G  82      72.023 141.678  27.570  1.00 16.81           C  
-ATOM  10618  CG  TRP G  82      72.895 140.433  27.750  1.00 17.19           C  
-ATOM  10619  CD1 TRP G  82      72.977 139.636  28.868  1.00 16.05           C  
-ATOM  10620  CD2 TRP G  82      73.789 139.863  26.787  1.00 15.60           C  
-ATOM  10621  NE1 TRP G  82      73.853 138.597  28.641  1.00 16.70           N  
-ATOM  10622  CE2 TRP G  82      74.356 138.707  27.369  1.00 17.18           C  
-ATOM  10623  CE3 TRP G  82      74.162 140.210  25.481  1.00 15.22           C  
-ATOM  10624  CZ2 TRP G  82      75.300 137.895  26.690  1.00 15.36           C  
-ATOM  10625  CZ3 TRP G  82      75.068 139.399  24.794  1.00 15.64           C  
-ATOM  10626  CH2 TRP G  82      75.623 138.245  25.401  1.00 15.94           C  
-ATOM  10627  N   VAL G  83      75.111 142.775  28.009  1.00 18.36           N  
-ATOM  10628  CA  VAL G  83      76.471 142.862  27.471  1.00 18.56           C  
-ATOM  10629  C   VAL G  83      77.158 141.514  27.738  1.00 18.45           C  
-ATOM  10630  O   VAL G  83      76.980 140.953  28.808  1.00 18.57           O  
-ATOM  10631  CB  VAL G  83      77.199 144.017  28.144  1.00 18.93           C  
-ATOM  10632  CG1 VAL G  83      78.708 143.906  27.976  1.00 20.98           C  
-ATOM  10633  CG2 VAL G  83      76.719 145.322  27.558  1.00 19.30           C  
-ATOM  10634  N   PRO G  84      77.895 140.965  26.779  1.00 18.66           N  
-ATOM  10635  CA  PRO G  84      78.572 139.672  27.009  1.00 18.63           C  
-ATOM  10636  C   PRO G  84      79.531 139.730  28.198  1.00 18.19           C  
-ATOM  10637  O   PRO G  84      80.292 140.695  28.358  1.00 17.58           O  
-ATOM  10638  CB  PRO G  84      79.347 139.429  25.719  1.00 18.60           C  
-ATOM  10639  CG  PRO G  84      78.975 140.538  24.763  1.00 19.03           C  
-ATOM  10640  CD  PRO G  84      78.121 141.500  25.416  1.00 18.70           C  
-ATOM  10641  N   ASP G  85      79.472 138.707  29.044  1.00 17.49           N  
-ATOM  10642  CA  ASP G  85      80.333 138.610  30.222  1.00 17.48           C  
-ATOM  10643  C   ASP G  85      81.762 138.142  29.855  1.00 17.26           C  
-ATOM  10644  O   ASP G  85      82.256 137.090  30.337  1.00 16.81           O  
-ATOM  10645  CB  ASP G  85      79.685 137.681  31.276  1.00 17.06           C  
-ATOM  10646  CG  ASP G  85      79.589 136.210  30.788  1.00 19.05           C  
-ATOM  10647  OD1 ASP G  85      79.477 136.019  29.569  1.00 17.94           O  
-ATOM  10648  OD2 ASP G  85      79.625 135.215  31.542  1.00 20.05           O  
-ATOM  10649  N   LEU G  86      82.421 138.922  29.002  1.00 17.00           N  
-ATOM  10650  CA  LEU G  86      83.797 138.629  28.584  1.00 17.12           C  
-ATOM  10651  C   LEU G  86      84.826 138.854  29.682  1.00 17.54           C  
-ATOM  10652  O   LEU G  86      84.731 139.833  30.458  1.00 17.64           O  
-ATOM  10653  CB  LEU G  86      84.149 139.447  27.350  1.00 17.00           C  
-ATOM  10654  CG  LEU G  86      83.251 139.158  26.145  1.00 17.31           C  
-ATOM  10655  CD1 LEU G  86      83.712 140.011  25.005  1.00 17.55           C  
-ATOM  10656  CD2 LEU G  86      83.302 137.636  25.737  1.00 15.57           C  
-ATOM  10657  N   ALA G  87      85.803 137.955  29.766  1.00 17.15           N  
-ATOM  10658  CA  ALA G  87      86.932 138.182  30.664  1.00 17.27           C  
-ATOM  10659  C   ALA G  87      88.236 137.782  29.992  1.00 17.39           C  
-ATOM  10660  O   ALA G  87      88.264 136.818  29.221  1.00 17.26           O  
-ATOM  10661  CB  ALA G  87      86.754 137.394  31.978  1.00 16.91           C  
-ATOM  10662  N   ALA G  88      89.305 138.516  30.276  1.00 17.42           N  
-ATOM  10663  CA  ALA G  88      90.649 138.074  29.893  1.00 17.62           C  
-ATOM  10664  C   ALA G  88      91.163 137.108  30.931  1.00 17.37           C  
-ATOM  10665  O   ALA G  88      91.350 137.524  32.087  1.00 17.32           O  
-ATOM  10666  CB  ALA G  88      91.579 139.276  29.758  1.00 17.54           C  
-ATOM  10667  N   TYR G  89      91.368 135.839  30.535  1.00 16.81           N  
-ATOM  10668  CA  TYR G  89      91.787 134.758  31.455  1.00 17.03           C  
-ATOM  10669  C   TYR G  89      93.190 134.929  32.053  1.00 17.15           C  
-ATOM  10670  O   TYR G  89      93.468 134.330  33.092  1.00 17.45           O  
-ATOM  10671  CB  TYR G  89      91.804 133.397  30.752  1.00 17.00           C  
-ATOM  10672  CG  TYR G  89      90.460 132.731  30.560  1.00 17.93           C  
-ATOM  10673  CD1 TYR G  89      89.449 133.345  29.826  1.00 18.74           C  
-ATOM  10674  CD2 TYR G  89      90.217 131.465  31.078  1.00 18.95           C  
-ATOM  10675  CE1 TYR G  89      88.224 132.748  29.647  1.00 21.41           C  
-ATOM  10676  CE2 TYR G  89      88.982 130.813  30.882  1.00 19.68           C  
-ATOM  10677  CZ  TYR G  89      87.990 131.455  30.170  1.00 22.65           C  
-ATOM  10678  OH  TYR G  89      86.766 130.824  29.964  1.00 24.39           O  
-ATOM  10679  N   ASN G  90      94.087 135.669  31.379  1.00 15.93           N  
-ATOM  10680  CA  ASN G  90      95.420 135.901  31.928  1.00 15.80           C  
-ATOM  10681  C   ASN G  90      95.613 137.332  32.473  1.00 15.59           C  
-ATOM  10682  O   ASN G  90      96.755 137.777  32.685  1.00 15.50           O  
-ATOM  10683  CB  ASN G  90      96.532 135.486  30.937  1.00 14.89           C  
-ATOM  10684  CG  ASN G  90      96.440 136.213  29.632  1.00 16.38           C  
-ATOM  10685  OD1 ASN G  90      95.341 136.419  29.090  1.00 16.82           O  
-ATOM  10686  ND2 ASN G  90      97.589 136.620  29.101  1.00 15.01           N  
-ATOM  10687  N   ALA G  91      94.510 138.046  32.683  1.00 14.90           N  
-ATOM  10688  CA  ALA G  91      94.554 139.347  33.323  1.00 15.38           C  
-ATOM  10689  C   ALA G  91      94.910 139.202  34.789  1.00 15.48           C  
-ATOM  10690  O   ALA G  91      94.442 138.275  35.460  1.00 15.29           O  
-ATOM  10691  CB  ALA G  91      93.198 140.086  33.186  1.00 15.65           C  
-ATOM  10692  N   ILE G  92      95.756 140.096  35.271  1.00 15.31           N  
-ATOM  10693  CA  ILE G  92      96.167 140.107  36.653  1.00 16.33           C  
-ATOM  10694  C   ILE G  92      95.743 141.401  37.360  1.00 17.04           C  
-ATOM  10695  O   ILE G  92      96.133 141.643  38.502  1.00 16.99           O  
-ATOM  10696  CB  ILE G  92      97.711 139.858  36.768  1.00 16.87           C  
-ATOM  10697  CG1 ILE G  92      98.514 140.930  36.015  1.00 16.26           C  
-ATOM  10698  CG2 ILE G  92      98.045 138.433  36.282  1.00 15.60           C  
-ATOM  10699  CD1 ILE G  92      99.992 140.981  36.350  1.00 15.88           C  
-ATOM  10700  N   SER G  93      94.960 142.229  36.667  1.00 17.37           N  
-ATOM  10701  CA  SER G  93      94.302 143.384  37.266  1.00 18.73           C  
-ATOM  10702  C   SER G  93      92.914 143.473  36.680  1.00 19.30           C  
-ATOM  10703  O   SER G  93      92.639 142.924  35.620  1.00 19.48           O  
-ATOM  10704  CB  SER G  93      95.068 144.692  37.002  1.00 18.72           C  
-ATOM  10705  OG  SER G  93      94.955 145.082  35.650  1.00 18.72           O  
-ATOM  10706  N   LYS G  94      92.006 144.132  37.358  1.00 19.74           N  
-ATOM  10707  CA  LYS G  94      90.691 144.229  36.779  1.00 21.96           C  
-ATOM  10708  C   LYS G  94      90.668 145.269  35.617  1.00 21.42           C  
-ATOM  10709  O   LYS G  94      91.508 146.163  35.571  1.00 23.28           O  
-ATOM  10710  CB  LYS G  94      89.634 144.448  37.868  1.00 22.44           C  
-ATOM  10711  CG  LYS G  94      89.289 145.870  38.234  1.00 27.37           C  
-ATOM  10712  CD  LYS G  94      87.886 145.910  38.858  1.00 32.67           C  
-ATOM  10713  CE  LYS G  94      87.900 145.341  40.279  1.00 34.54           C  
-ATOM  10714  NZ  LYS G  94      88.365 146.371  41.251  1.00 37.77           N  
-ATOM  10715  N   PRO G  95      89.762 145.139  34.667  1.00 21.49           N  
-ATOM  10716  CA  PRO G  95      89.787 146.052  33.505  1.00 22.28           C  
-ATOM  10717  C   PRO G  95      89.550 147.510  33.955  1.00 22.04           C  
-ATOM  10718  O   PRO G  95      88.579 147.791  34.629  1.00 22.71           O  
-ATOM  10719  CB  PRO G  95      88.607 145.584  32.652  1.00 21.95           C  
-ATOM  10720  CG  PRO G  95      88.133 144.241  33.262  1.00 22.53           C  
-ATOM  10721  CD  PRO G  95      88.639 144.172  34.634  1.00 20.88           C  
-ATOM  10722  N   GLU G  96      90.424 148.427  33.611  1.00 22.61           N  
-ATOM  10723  CA  GLU G  96      90.157 149.849  33.919  1.00 23.05           C  
-ATOM  10724  C   GLU G  96      89.563 150.480  32.667  1.00 21.87           C  
-ATOM  10725  O   GLU G  96      90.246 150.600  31.657  1.00 21.65           O  
-ATOM  10726  CB  GLU G  96      91.454 150.539  34.344  1.00 23.64           C  
-ATOM  10727  CG  GLU G  96      91.362 151.940  34.940  1.00 28.64           C  
-ATOM  10728  CD  GLU G  96      92.749 152.505  35.298  1.00 35.10           C  
-ATOM  10729  OE1 GLU G  96      93.661 151.688  35.599  1.00 38.24           O  
-ATOM  10730  OE2 GLU G  96      92.950 153.760  35.274  1.00 38.53           O  
-ATOM  10731  N   VAL G  97      88.277 150.826  32.710  1.00 20.82           N  
-ATOM  10732  CA  VAL G  97      87.588 151.375  31.540  1.00 19.74           C  
-ATOM  10733  C   VAL G  97      87.829 152.881  31.497  1.00 19.86           C  
-ATOM  10734  O   VAL G  97      87.528 153.584  32.444  1.00 18.94           O  
-ATOM  10735  CB  VAL G  97      86.081 151.066  31.519  1.00 20.34           C  
-ATOM  10736  CG1 VAL G  97      85.418 151.632  30.256  1.00 18.98           C  
-ATOM  10737  CG2 VAL G  97      85.811 149.506  31.621  1.00 19.45           C  
-ATOM  10738  N   LEU G  98      88.421 153.351  30.399  1.00 19.04           N  
-ATOM  10739  CA  LEU G  98      88.857 154.743  30.312  1.00 19.19           C  
-ATOM  10740  C   LEU G  98      87.856 155.667  29.656  1.00 18.85           C  
-ATOM  10741  O   LEU G  98      88.007 156.901  29.702  1.00 19.76           O  
-ATOM  10742  CB  LEU G  98      90.205 154.832  29.574  1.00 19.24           C  
-ATOM  10743  CG  LEU G  98      91.350 153.931  30.086  1.00 20.24           C  
-ATOM  10744  CD1 LEU G  98      92.554 154.052  29.189  1.00 19.29           C  
-ATOM  10745  CD2 LEU G  98      91.737 154.233  31.524  1.00 20.13           C  
-ATOM  10746  N   THR G  99      86.821 155.097  29.075  1.00 18.31           N  
-ATOM  10747  CA  THR G  99      85.882 155.850  28.239  1.00 18.28           C  
-ATOM  10748  C   THR G  99      84.448 155.759  28.744  1.00 18.44           C  
-ATOM  10749  O   THR G  99      84.125 154.828  29.486  1.00 18.93           O  
-ATOM  10750  CB  THR G  99      85.913 155.312  26.805  1.00 18.03           C  
-ATOM  10751  OG1 THR G  99      85.955 153.885  26.839  1.00 16.75           O  
-ATOM  10752  CG2 THR G  99      87.193 155.698  26.123  1.00 16.83           C  
-ATOM  10753  N   PRO G 100      83.581 156.693  28.327  1.00 18.40           N  
-ATOM  10754  CA  PRO G 100      82.170 156.638  28.697  1.00 18.33           C  
-ATOM  10755  C   PRO G 100      81.570 155.276  28.369  1.00 19.00           C  
-ATOM  10756  O   PRO G 100      81.781 154.732  27.264  1.00 18.26           O  
-ATOM  10757  CB  PRO G 100      81.542 157.731  27.829  1.00 18.50           C  
-ATOM  10758  CG  PRO G 100      82.640 158.742  27.656  1.00 19.29           C  
-ATOM  10759  CD  PRO G 100      83.883 157.877  27.491  1.00 18.30           C  
-ATOM  10760  N   GLN G 101      80.825 154.725  29.317  1.00 18.93           N  
-ATOM  10761  CA  GLN G 101      80.285 153.373  29.139  1.00 19.72           C  
-ATOM  10762  C   GLN G 101      78.960 153.354  28.353  1.00 19.25           C  
-ATOM  10763  O   GLN G 101      77.894 153.028  28.903  1.00 19.21           O  
-ATOM  10764  CB  GLN G 101      80.191 152.662  30.482  1.00 19.67           C  
-ATOM  10765  CG  GLN G 101      81.597 152.330  31.023  1.00 23.95           C  
-ATOM  10766  CD  GLN G 101      81.624 151.774  32.441  1.00 28.70           C  
-ATOM  10767  OE1 GLN G 101      80.965 150.784  32.754  1.00 31.51           O  
-ATOM  10768  NE2 GLN G 101      82.434 152.381  33.282  1.00 29.54           N  
-ATOM  10769  N   LEU G 102      79.065 153.663  27.055  1.00 18.60           N  
-ATOM  10770  CA  LEU G 102      77.938 153.699  26.117  1.00 17.96           C  
-ATOM  10771  C   LEU G 102      78.180 152.770  24.946  1.00 17.30           C  
-ATOM  10772  O   LEU G 102      79.265 152.700  24.413  1.00 16.57           O  
-ATOM  10773  CB  LEU G 102      77.697 155.129  25.567  1.00 18.01           C  
-ATOM  10774  CG  LEU G 102      77.589 156.296  26.571  1.00 20.67           C  
-ATOM  10775  CD1 LEU G 102      77.528 157.633  25.884  1.00 21.33           C  
-ATOM  10776  CD2 LEU G 102      76.379 156.143  27.465  1.00 20.46           C  
-ATOM  10777  N   ALA G 103      77.128 152.084  24.530  1.00 16.75           N  
-ATOM  10778  CA  ALA G 103      77.153 151.225  23.368  1.00 16.89           C  
-ATOM  10779  C   ALA G 103      76.346 151.886  22.286  1.00 17.02           C  
-ATOM  10780  O   ALA G 103      75.433 152.672  22.541  1.00 18.10           O  
-ATOM  10781  CB  ALA G 103      76.581 149.846  23.698  1.00 16.25           C  
-ATOM  10782  N   ARG G 104      76.678 151.571  21.065  1.00 16.76           N  
-ATOM  10783  CA  ARG G 104      75.945 152.103  19.934  1.00 16.51           C  
-ATOM  10784  C   ARG G 104      75.026 150.968  19.468  1.00 16.32           C  
-ATOM  10785  O   ARG G 104      75.481 149.825  19.302  1.00 16.39           O  
-ATOM  10786  CB  ARG G 104      76.954 152.529  18.869  1.00 16.18           C  
-ATOM  10787  CG  ARG G 104      76.443 153.421  17.860  1.00 18.15           C  
-ATOM  10788  CD  ARG G 104      76.248 154.866  18.299  1.00 18.02           C  
-ATOM  10789  NE  ARG G 104      75.616 155.540  17.176  1.00 16.46           N  
-ATOM  10790  CZ  ARG G 104      75.054 156.733  17.219  1.00 17.58           C  
-ATOM  10791  NH1 ARG G 104      75.001 157.444  18.361  1.00 13.68           N  
-ATOM  10792  NH2 ARG G 104      74.525 157.206  16.100  1.00 14.87           N  
-ATOM  10793  N   VAL G 105      73.739 151.279  19.299  1.00 15.71           N  
-ATOM  10794  CA  VAL G 105      72.704 150.302  19.017  1.00 15.00           C  
-ATOM  10795  C   VAL G 105      72.007 150.721  17.718  1.00 15.48           C  
-ATOM  10796  O   VAL G 105      71.543 151.864  17.611  1.00 14.95           O  
-ATOM  10797  CB  VAL G 105      71.652 150.236  20.157  1.00 15.38           C  
-ATOM  10798  CG1 VAL G 105      70.547 149.262  19.844  1.00 14.59           C  
-ATOM  10799  CG2 VAL G 105      72.312 149.882  21.493  1.00 14.84           C  
-ATOM  10800  N   VAL G 106      71.964 149.792  16.747  1.00 14.62           N  
-ATOM  10801  CA  VAL G 106      71.374 150.038  15.454  1.00 14.94           C  
-ATOM  10802  C   VAL G 106      69.931 149.517  15.515  1.00 15.11           C  
-ATOM  10803  O   VAL G 106      69.609 148.604  16.312  1.00 14.27           O  
-ATOM  10804  CB  VAL G 106      72.215 149.382  14.297  1.00 15.22           C  
-ATOM  10805  CG1 VAL G 106      71.651 149.728  12.904  1.00 13.83           C  
-ATOM  10806  CG2 VAL G 106      73.697 149.804  14.410  1.00 15.52           C  
-ATOM  10807  N   SER G 107      69.058 150.106  14.706  1.00 15.01           N  
-ATOM  10808  CA  SER G 107      67.642 149.756  14.727  1.00 15.53           C  
-ATOM  10809  C   SER G 107      67.312 148.282  14.415  1.00 16.27           C  
-ATOM  10810  O   SER G 107      66.191 147.854  14.665  1.00 15.60           O  
-ATOM  10811  CB  SER G 107      66.842 150.640  13.781  1.00 15.32           C  
-ATOM  10812  OG  SER G 107      67.182 150.366  12.439  1.00 15.15           O  
-ATOM  10813  N   ASP G 108      68.264 147.524  13.861  1.00 16.93           N  
-ATOM  10814  CA  ASP G 108      68.031 146.111  13.624  1.00 18.05           C  
-ATOM  10815  C   ASP G 108      68.481 145.263  14.802  1.00 18.22           C  
-ATOM  10816  O   ASP G 108      68.407 144.019  14.749  1.00 18.27           O  
-ATOM  10817  CB  ASP G 108      68.685 145.633  12.315  1.00 18.56           C  
-ATOM  10818  CG  ASP G 108      70.207 145.766  12.306  1.00 21.57           C  
-ATOM  10819  OD1 ASP G 108      70.840 146.128  13.336  1.00 23.41           O  
-ATOM  10820  OD2 ASP G 108      70.859 145.527  11.253  1.00 25.16           O  
-ATOM  10821  N   GLY G 109      68.988 145.924  15.845  1.00 17.70           N  
-ATOM  10822  CA  GLY G 109      69.427 145.222  17.018  1.00 17.76           C  
-ATOM  10823  C   GLY G 109      70.919 144.991  17.124  1.00 17.98           C  
-ATOM  10824  O   GLY G 109      71.354 144.384  18.098  1.00 18.12           O  
-ATOM  10825  N   GLU G 110      71.693 145.428  16.128  1.00 18.05           N  
-ATOM  10826  CA  GLU G 110      73.160 145.298  16.200  1.00 19.01           C  
-ATOM  10827  C   GLU G 110      73.688 146.258  17.263  1.00 18.04           C  
-ATOM  10828  O   GLU G 110      73.259 147.413  17.342  1.00 17.70           O  
-ATOM  10829  CB  GLU G 110      73.853 145.583  14.860  1.00 19.16           C  
-ATOM  10830  CG  GLU G 110      73.653 144.546  13.749  1.00 24.57           C  
-ATOM  10831  CD  GLU G 110      74.031 143.111  14.119  1.00 31.12           C  
-ATOM  10832  OE1 GLU G 110      75.209 142.860  14.511  1.00 33.30           O  
-ATOM  10833  OE2 GLU G 110      73.141 142.231  13.992  1.00 34.16           O  
-ATOM  10834  N   VAL G 111      74.609 145.766  18.073  1.00 17.16           N  
-ATOM  10835  CA  VAL G 111      75.252 146.564  19.093  1.00 16.52           C  
-ATOM  10836  C   VAL G 111      76.761 146.554  18.868  1.00 16.81           C  
-ATOM  10837  O   VAL G 111      77.341 145.495  18.568  1.00 16.17           O  
-ATOM  10838  CB  VAL G 111      74.986 145.996  20.501  1.00 16.51           C  
-ATOM  10839  CG1 VAL G 111      75.432 146.968  21.583  1.00 15.66           C  
-ATOM  10840  CG2 VAL G 111      73.514 145.575  20.671  1.00 14.94           C  
-ATOM  10841  N   LEU G 112      77.369 147.727  19.054  1.00 16.56           N  
-ATOM  10842  CA  LEU G 112      78.795 147.919  19.135  1.00 16.84           C  
-ATOM  10843  C   LEU G 112      79.121 148.544  20.487  1.00 17.06           C  
-ATOM  10844  O   LEU G 112      78.627 149.620  20.804  1.00 16.90           O  
-ATOM  10845  CB  LEU G 112      79.275 148.855  18.018  1.00 17.04           C  
-ATOM  10846  CG  LEU G 112      80.735 149.356  18.054  1.00 19.15           C  
-ATOM  10847  CD1 LEU G 112      81.738 148.195  17.989  1.00 16.74           C  
-ATOM  10848  CD2 LEU G 112      80.991 150.323  16.887  1.00 20.30           C  
-ATOM  10849  N   TYR G 113      79.938 147.863  21.279  1.00 17.20           N  
-ATOM  10850  CA  TYR G 113      80.464 148.400  22.504  1.00 17.70           C  
-ATOM  10851  C   TYR G 113      81.981 148.350  22.342  1.00 18.03           C  
-ATOM  10852  O   TYR G 113      82.537 147.305  22.037  1.00 18.00           O  
-ATOM  10853  CB  TYR G 113      79.994 147.583  23.698  1.00 17.63           C  
-ATOM  10854  CG  TYR G 113      80.520 148.113  25.019  1.00 19.40           C  
-ATOM  10855  CD1 TYR G 113      80.514 149.509  25.298  1.00 20.06           C  
-ATOM  10856  CD2 TYR G 113      81.008 147.242  25.995  1.00 20.14           C  
-ATOM  10857  CE1 TYR G 113      81.016 150.001  26.515  1.00 21.92           C  
-ATOM  10858  CE2 TYR G 113      81.508 147.723  27.214  1.00 20.16           C  
-ATOM  10859  CZ  TYR G 113      81.496 149.103  27.463  1.00 22.70           C  
-ATOM  10860  OH  TYR G 113      82.001 149.557  28.649  1.00 26.88           O  
-ATOM  10861  N   MET G 114      82.652 149.484  22.506  1.00 17.56           N  
-ATOM  10862  CA  MET G 114      84.088 149.561  22.238  1.00 17.75           C  
-ATOM  10863  C   MET G 114      84.742 150.466  23.282  1.00 17.27           C  
-ATOM  10864  O   MET G 114      85.103 151.610  22.974  1.00 16.89           O  
-ATOM  10865  CB  MET G 114      84.343 150.125  20.824  1.00 18.32           C  
-ATOM  10866  CG  MET G 114      85.801 150.059  20.352  1.00 20.95           C  
-ATOM  10867  SD  MET G 114      86.067 150.208  18.514  1.00 27.56           S  
-ATOM  10868  CE  MET G 114      84.495 150.462  17.969  1.00 26.91           C  
-ATOM  10869  N   PRO G 115      84.872 149.972  24.508  1.00 16.98           N  
-ATOM  10870  CA  PRO G 115      85.536 150.749  25.563  1.00 16.96           C  
-ATOM  10871  C   PRO G 115      87.074 150.763  25.332  1.00 17.07           C  
-ATOM  10872  O   PRO G 115      87.652 149.821  24.742  1.00 16.46           O  
-ATOM  10873  CB  PRO G 115      85.180 149.958  26.833  1.00 16.60           C  
-ATOM  10874  CG  PRO G 115      85.040 148.506  26.298  1.00 16.79           C  
-ATOM  10875  CD  PRO G 115      84.411 148.648  24.982  1.00 16.56           C  
-ATOM  10876  N   SER G 116      87.724 151.827  25.800  1.00 16.81           N  
-ATOM  10877  CA  SER G 116      89.168 151.820  25.950  1.00 17.13           C  
-ATOM  10878  C   SER G 116      89.492 151.226  27.302  1.00 16.90           C  
-ATOM  10879  O   SER G 116      88.945 151.637  28.307  1.00 16.92           O  
-ATOM  10880  CB  SER G 116      89.749 153.232  25.817  1.00 17.35           C  
-ATOM  10881  OG  SER G 116      91.171 153.169  25.788  1.00 18.61           O  
-ATOM  10882  N   ILE G 117      90.382 150.253  27.322  1.00 17.26           N  
-ATOM  10883  CA  ILE G 117      90.659 149.518  28.545  1.00 17.97           C  
-ATOM  10884  C   ILE G 117      92.138 149.524  28.888  1.00 17.70           C  
-ATOM  10885  O   ILE G 117      92.968 149.275  28.035  1.00 17.74           O  
-ATOM  10886  CB  ILE G 117      90.104 148.059  28.431  1.00 18.29           C  
-ATOM  10887  CG1 ILE G 117      88.576 148.089  28.513  1.00 19.94           C  
-ATOM  10888  CG2 ILE G 117      90.688 147.123  29.532  1.00 18.00           C  
-ATOM  10889  CD1 ILE G 117      87.926 146.696  28.462  1.00 21.07           C  
-ATOM  10890  N   ARG G 118      92.469 149.794  30.139  1.00 17.60           N  
-ATOM  10891  CA  ARG G 118      93.833 149.597  30.574  1.00 17.75           C  
-ATOM  10892  C   ARG G 118      93.845 148.412  31.513  1.00 17.73           C  
-ATOM  10893  O   ARG G 118      93.015 148.354  32.433  1.00 17.39           O  
-ATOM  10894  CB  ARG G 118      94.369 150.833  31.259  1.00 18.25           C  
-ATOM  10895  CG  ARG G 118      95.818 150.655  31.723  1.00 19.83           C  
-ATOM  10896  CD  ARG G 118      96.349 151.781  32.576  1.00 23.16           C  
-ATOM  10897  NE  ARG G 118      97.756 151.530  32.888  1.00 26.59           N  
-ATOM  10898  CZ  ARG G 118      98.658 152.471  33.077  1.00 27.92           C  
-ATOM  10899  NH1 ARG G 118      98.313 153.752  32.969  1.00 27.72           N  
-ATOM  10900  NH2 ARG G 118      99.910 152.125  33.370  1.00 27.73           N  
-ATOM  10901  N   GLN G 119      94.745 147.463  31.248  1.00 16.94           N  
-ATOM  10902  CA  GLN G 119      94.761 146.194  31.986  1.00 17.15           C  
-ATOM  10903  C   GLN G 119      96.138 145.577  31.963  1.00 16.93           C  
-ATOM  10904  O   GLN G 119      96.888 145.778  30.995  1.00 16.83           O  
-ATOM  10905  CB  GLN G 119      93.729 145.205  31.411  1.00 17.10           C  
-ATOM  10906  CG  GLN G 119      93.393 144.040  32.359  1.00 17.53           C  
-ATOM  10907  CD  GLN G 119      92.112 143.314  31.993  1.00 18.32           C  
-ATOM  10908  OE1 GLN G 119      91.745 143.223  30.816  1.00 20.58           O  
-ATOM  10909  NE2 GLN G 119      91.409 142.814  33.003  1.00 18.10           N  
-ATOM  10910  N   ARG G 120      96.463 144.795  32.995  1.00 17.16           N  
-ATOM  10911  CA  ARG G 120      97.775 144.154  33.102  1.00 17.55           C  
-ATOM  10912  C   ARG G 120      97.611 142.649  32.912  1.00 17.37           C  
-ATOM  10913  O   ARG G 120      96.670 142.046  33.483  1.00 16.57           O  
-ATOM  10914  CB  ARG G 120      98.417 144.469  34.463  1.00 18.43           C  
-ATOM  10915  CG  ARG G 120      98.662 145.984  34.756  1.00 22.61           C  
-ATOM  10916  CD  ARG G 120      99.283 146.289  36.149  1.00 29.14           C  
-ATOM  10917  NE  ARG G 120      98.257 146.556  37.162  1.00 36.03           N  
-ATOM  10918  CZ  ARG G 120      98.169 145.941  38.350  1.00 40.36           C  
-ATOM  10919  NH1 ARG G 120      99.059 145.011  38.717  1.00 41.95           N  
-ATOM  10920  NH2 ARG G 120      97.185 146.263  39.185  1.00 41.91           N  
-ATOM  10921  N   PHE G 121      98.503 142.056  32.108  1.00 16.34           N  
-ATOM  10922  CA  PHE G 121      98.454 140.634  31.778  1.00 15.66           C  
-ATOM  10923  C   PHE G 121      99.732 139.863  32.178  1.00 16.02           C  
-ATOM  10924  O   PHE G 121     100.821 140.412  32.259  1.00 15.23           O  
-ATOM  10925  CB  PHE G 121      98.152 140.418  30.284  1.00 15.84           C  
-ATOM  10926  CG  PHE G 121      96.934 141.181  29.782  1.00 13.63           C  
-ATOM  10927  CD1 PHE G 121      95.677 140.601  29.812  1.00 12.08           C  
-ATOM  10928  CD2 PHE G 121      97.061 142.488  29.292  1.00 12.48           C  
-ATOM  10929  CE1 PHE G 121      94.545 141.286  29.357  1.00 11.51           C  
-ATOM  10930  CE2 PHE G 121      95.963 143.167  28.842  1.00 12.53           C  
-ATOM  10931  CZ  PHE G 121      94.676 142.557  28.909  1.00 12.71           C  
-ATOM  10932  N   SER G 122      99.555 138.589  32.479  1.00 16.16           N  
-ATOM  10933  CA  SER G 122     100.651 137.668  32.649  1.00 16.73           C  
-ATOM  10934  C   SER G 122     100.809 136.987  31.297  1.00 17.13           C  
-ATOM  10935  O   SER G 122      99.846 136.403  30.781  1.00 16.76           O  
-ATOM  10936  CB  SER G 122     100.325 136.651  33.737  1.00 16.28           C  
-ATOM  10937  OG  SER G 122     101.196 135.526  33.656  1.00 16.42           O  
-ATOM  10938  N   CYS G 123     101.989 137.116  30.702  1.00 18.09           N  
-ATOM  10939  CA  CYS G 123     102.278 136.538  29.392  1.00 20.02           C  
-ATOM  10940  C   CYS G 123     103.765 136.539  29.073  1.00 19.80           C  
-ATOM  10941  O   CYS G 123     104.589 137.048  29.859  1.00 19.65           O  
-ATOM  10942  CB  CYS G 123     101.498 137.263  28.300  1.00 20.79           C  
-ATOM  10943  SG  CYS G 123     101.831 139.038  28.196  1.00 26.19           S  
-ATOM  10944  N   ASP G 124     104.105 135.965  27.919  1.00 19.80           N  
-ATOM  10945  CA  ASP G 124     105.501 135.804  27.522  1.00 19.71           C  
-ATOM  10946  C   ASP G 124     106.130 137.132  27.071  1.00 19.65           C  
-ATOM  10947  O   ASP G 124     105.882 137.607  25.959  1.00 19.45           O  
-ATOM  10948  CB  ASP G 124     105.616 134.766  26.413  1.00 19.54           C  
-ATOM  10949  CG  ASP G 124     107.026 134.216  26.262  1.00 20.51           C  
-ATOM  10950  OD1 ASP G 124     107.965 134.652  26.981  1.00 19.73           O  
-ATOM  10951  OD2 ASP G 124     107.281 133.325  25.425  1.00 21.37           O  
-ATOM  10952  N   VAL G 125     106.955 137.713  27.937  1.00 19.30           N  
-ATOM  10953  CA  VAL G 125     107.649 138.951  27.616  1.00 19.03           C  
-ATOM  10954  C   VAL G 125     109.076 138.697  27.063  1.00 18.80           C  
-ATOM  10955  O   VAL G 125     109.758 139.626  26.616  1.00 18.65           O  
-ATOM  10956  CB  VAL G 125     107.635 139.900  28.834  1.00 19.13           C  
-ATOM  10957  CG1 VAL G 125     108.398 141.191  28.556  1.00 19.06           C  
-ATOM  10958  CG2 VAL G 125     106.196 140.219  29.220  1.00 18.74           C  
-ATOM  10959  N   SER G 126     109.509 137.439  27.055  1.00 18.57           N  
-ATOM  10960  CA  SER G 126     110.866 137.124  26.593  1.00 18.61           C  
-ATOM  10961  C   SER G 126     111.062 137.580  25.147  1.00 18.37           C  
-ATOM  10962  O   SER G 126     110.130 137.489  24.336  1.00 18.02           O  
-ATOM  10963  CB  SER G 126     111.193 135.643  26.775  1.00 18.52           C  
-ATOM  10964  OG  SER G 126     110.352 134.828  25.977  1.00 19.13           O  
-ATOM  10965  N   GLY G 127     112.253 138.115  24.863  1.00 18.04           N  
-ATOM  10966  CA  GLY G 127     112.600 138.612  23.545  1.00 17.75           C  
-ATOM  10967  C   GLY G 127     112.123 140.013  23.210  1.00 17.50           C  
-ATOM  10968  O   GLY G 127     112.353 140.481  22.091  1.00 17.55           O  
-ATOM  10969  N   VAL G 128     111.478 140.693  24.155  1.00 17.13           N  
-ATOM  10970  CA  VAL G 128     110.964 142.049  23.900  1.00 17.36           C  
-ATOM  10971  C   VAL G 128     112.018 143.059  23.391  1.00 17.49           C  
-ATOM  10972  O   VAL G 128     111.707 143.955  22.616  1.00 17.23           O  
-ATOM  10973  CB  VAL G 128     110.235 142.630  25.133  1.00 17.13           C  
-ATOM  10974  CG1 VAL G 128     111.215 142.943  26.268  1.00 16.88           C  
-ATOM  10975  CG2 VAL G 128     109.436 143.856  24.741  1.00 17.46           C  
-ATOM  10976  N   ASP G 129     113.260 142.891  23.840  1.00 18.35           N  
-ATOM  10977  CA  ASP G 129     114.330 143.833  23.542  1.00 19.41           C  
-ATOM  10978  C   ASP G 129     115.216 143.343  22.372  1.00 19.57           C  
-ATOM  10979  O   ASP G 129     116.228 143.962  22.051  1.00 19.05           O  
-ATOM  10980  CB  ASP G 129     115.119 144.090  24.834  1.00 20.08           C  
-ATOM  10981  CG  ASP G 129     116.235 145.117  24.675  1.00 21.49           C  
-ATOM  10982  OD1 ASP G 129     115.978 146.265  24.235  1.00 22.71           O  
-ATOM  10983  OD2 ASP G 129     117.417 144.856  25.005  1.00 23.71           O  
-ATOM  10984  N   THR G 130     114.817 142.233  21.739  1.00 19.63           N  
-ATOM  10985  CA  THR G 130     115.474 141.727  20.524  1.00 19.35           C  
-ATOM  10986  C   THR G 130     114.700 142.220  19.297  1.00 19.56           C  
-ATOM  10987  O   THR G 130     113.704 142.922  19.443  1.00 19.43           O  
-ATOM  10988  CB  THR G 130     115.511 140.176  20.484  1.00 19.24           C  
-ATOM  10989  OG1 THR G 130     114.162 139.679  20.561  1.00 18.80           O  
-ATOM  10990  CG2 THR G 130     116.211 139.593  21.703  1.00 17.51           C  
-ATOM  10991  N   GLU G 131     115.173 141.830  18.104  1.00 19.76           N  
-ATOM  10992  CA  GLU G 131     114.561 142.128  16.798  1.00 19.49           C  
-ATOM  10993  C   GLU G 131     113.217 141.422  16.544  1.00 18.94           C  
-ATOM  10994  O   GLU G 131     112.263 142.043  16.081  1.00 18.73           O  
-ATOM  10995  CB  GLU G 131     115.549 141.734  15.684  1.00 19.64           C  
-ATOM  10996  CG  GLU G 131     115.395 142.520  14.389  1.00 21.03           C  
-ATOM  10997  CD  GLU G 131     116.477 143.577  14.213  1.00 22.43           C  
-ATOM  10998  OE1 GLU G 131     116.274 144.730  14.686  1.00 22.67           O  
-ATOM  10999  OE2 GLU G 131     117.519 143.254  13.593  1.00 20.59           O  
-ATOM  11000  N   SER G 132     113.182 140.117  16.820  1.00 18.53           N  
-ATOM  11001  CA  SER G 132     112.023 139.249  16.621  1.00 18.92           C  
-ATOM  11002  C   SER G 132     110.897 139.628  17.566  1.00 18.76           C  
-ATOM  11003  O   SER G 132     109.743 139.296  17.330  1.00 18.91           O  
-ATOM  11004  CB  SER G 132     112.421 137.794  16.909  1.00 19.01           C  
-ATOM  11005  OG  SER G 132     113.521 137.371  16.109  1.00 20.13           O  
-ATOM  11006  N   GLY G 133     111.267 140.292  18.659  1.00 18.62           N  
-ATOM  11007  CA  GLY G 133     110.333 140.790  19.646  1.00 18.18           C  
-ATOM  11008  C   GLY G 133     109.731 139.723  20.544  1.00 18.38           C  
-ATOM  11009  O   GLY G 133     110.064 138.539  20.429  1.00 17.64           O  
-ATOM  11010  N   ALA G 134     108.828 140.159  21.430  1.00 18.30           N  
-ATOM  11011  CA  ALA G 134     108.098 139.257  22.303  1.00 18.84           C  
-ATOM  11012  C   ALA G 134     106.737 138.975  21.699  1.00 19.25           C  
-ATOM  11013  O   ALA G 134     106.264 139.731  20.840  1.00 19.16           O  
-ATOM  11014  CB  ALA G 134     107.942 139.869  23.686  1.00 18.80           C  
-ATOM  11015  N   THR G 135     106.116 137.881  22.136  1.00 19.91           N  
-ATOM  11016  CA  THR G 135     104.732 137.596  21.771  1.00 20.78           C  
-ATOM  11017  C   THR G 135     103.881 137.309  23.012  1.00 21.44           C  
-ATOM  11018  O   THR G 135     103.996 136.251  23.642  1.00 21.47           O  
-ATOM  11019  CB  THR G 135     104.600 136.481  20.708  1.00 20.68           C  
-ATOM  11020  OG1 THR G 135     105.476 136.757  19.607  1.00 19.38           O  
-ATOM  11021  CG2 THR G 135     103.205 136.543  20.082  1.00 20.60           C  
-ATOM  11022  N   CYS G 136     103.051 138.295  23.346  1.00 21.73           N  
-ATOM  11023  CA  CYS G 136     102.122 138.231  24.466  1.00 22.83           C  
-ATOM  11024  C   CYS G 136     100.776 137.743  23.938  1.00 22.54           C  
-ATOM  11025  O   CYS G 136     100.210 138.338  23.021  1.00 22.75           O  
-ATOM  11026  CB  CYS G 136     101.963 139.621  25.121  1.00 22.62           C  
-ATOM  11027  SG  CYS G 136     100.806 139.751  26.539  1.00 27.01           S  
-ATOM  11028  N   ARG G 137     100.261 136.671  24.524  1.00 22.12           N  
-ATOM  11029  CA  ARG G 137      98.978 136.124  24.130  1.00 21.66           C  
-ATOM  11030  C   ARG G 137      97.927 136.495  25.162  1.00 20.74           C  
-ATOM  11031  O   ARG G 137      98.129 136.272  26.344  1.00 20.39           O  
-ATOM  11032  CB  ARG G 137      99.079 134.598  23.978  1.00 22.49           C  
-ATOM  11033  CG  ARG G 137      97.729 133.868  23.792  1.00 24.41           C  
-ATOM  11034  CD  ARG G 137      97.874 132.534  23.072  1.00 30.84           C  
-ATOM  11035  NE  ARG G 137      99.046 131.802  23.552  1.00 34.90           N  
-ATOM  11036  CZ  ARG G 137      99.065 131.064  24.658  1.00 36.46           C  
-ATOM  11037  NH1 ARG G 137      97.960 130.929  25.395  1.00 36.81           N  
-ATOM  11038  NH2 ARG G 137     100.189 130.463  25.024  1.00 36.14           N  
-ATOM  11039  N   ILE G 138      96.807 137.058  24.705  1.00 19.40           N  
-ATOM  11040  CA  ILE G 138      95.729 137.478  25.591  1.00 18.60           C  
-ATOM  11041  C   ILE G 138      94.493 136.636  25.248  1.00 18.29           C  
-ATOM  11042  O   ILE G 138      94.015 136.637  24.096  1.00 17.95           O  
-ATOM  11043  CB  ILE G 138      95.425 139.012  25.434  1.00 17.64           C  
-ATOM  11044  CG1 ILE G 138      96.642 139.865  25.807  1.00 17.26           C  
-ATOM  11045  CG2 ILE G 138      94.171 139.417  26.221  1.00 17.56           C  
-ATOM  11046  CD1 ILE G 138      96.525 141.348  25.315  1.00 19.32           C  
-ATOM  11047  N   LYS G 139      93.970 135.945  26.254  1.00 17.45           N  
-ATOM  11048  CA  LYS G 139      92.859 135.016  26.050  1.00 17.25           C  
-ATOM  11049  C   LYS G 139      91.560 135.621  26.585  1.00 17.05           C  
-ATOM  11050  O   LYS G 139      91.451 135.956  27.745  1.00 17.19           O  
-ATOM  11051  CB  LYS G 139      93.173 133.653  26.695  1.00 17.28           C  
-ATOM  11052  CG  LYS G 139      92.006 132.722  26.882  1.00 16.04           C  
-ATOM  11053  CD  LYS G 139      92.461 131.393  27.516  1.00 17.64           C  
-ATOM  11054  CE  LYS G 139      91.259 130.445  27.698  1.00 20.10           C  
-ATOM  11055  NZ  LYS G 139      91.595 129.228  28.499  1.00 22.21           N  
-ATOM  11056  N   ILE G 140      90.575 135.768  25.717  1.00 16.87           N  
-ATOM  11057  CA  ILE G 140      89.327 136.390  26.080  1.00 16.72           C  
-ATOM  11058  C   ILE G 140      88.135 135.502  25.714  1.00 16.07           C  
-ATOM  11059  O   ILE G 140      88.046 135.041  24.595  1.00 15.98           O  
-ATOM  11060  CB  ILE G 140      89.232 137.764  25.373  1.00 17.07           C  
-ATOM  11061  CG1 ILE G 140      90.113 138.801  26.108  1.00 20.38           C  
-ATOM  11062  CG2 ILE G 140      87.801 138.264  25.402  1.00 16.16           C  
-ATOM  11063  CD1 ILE G 140      90.482 140.070  25.252  1.00 20.91           C  
-ATOM  11064  N   GLY G 141      87.222 135.275  26.653  1.00 15.11           N  
-ATOM  11065  CA  GLY G 141      86.012 134.530  26.378  1.00 14.62           C  
-ATOM  11066  C   GLY G 141      84.925 134.825  27.382  1.00 14.65           C  
-ATOM  11067  O   GLY G 141      85.170 135.564  28.365  1.00 14.41           O  
-ATOM  11068  N   SER G 142      83.730 134.269  27.161  1.00 13.42           N  
-ATOM  11069  CA  SER G 142      82.658 134.408  28.150  1.00 13.52           C  
-ATOM  11070  C   SER G 142      83.065 133.700  29.422  1.00 13.57           C  
-ATOM  11071  O   SER G 142      83.504 132.551  29.388  1.00 13.41           O  
-ATOM  11072  CB  SER G 142      81.305 133.872  27.654  1.00 13.37           C  
-ATOM  11073  OG  SER G 142      80.328 133.722  28.703  1.00 12.29           O  
-ATOM  11074  N   TRP G 143      82.903 134.389  30.552  1.00 12.50           N  
-ATOM  11075  CA  TRP G 143      83.196 133.799  31.842  1.00 12.00           C  
-ATOM  11076  C   TRP G 143      82.269 132.605  32.210  1.00 12.20           C  
-ATOM  11077  O   TRP G 143      82.741 131.602  32.740  1.00 12.42           O  
-ATOM  11078  CB  TRP G 143      83.134 134.836  32.957  1.00 11.03           C  
-ATOM  11079  CG  TRP G 143      83.849 134.308  34.150  1.00  8.47           C  
-ATOM  11080  CD1 TRP G 143      83.326 134.014  35.400  1.00  6.38           C  
-ATOM  11081  CD2 TRP G 143      85.213 133.945  34.191  1.00  4.19           C  
-ATOM  11082  NE1 TRP G 143      84.322 133.490  36.208  1.00  5.33           N  
-ATOM  11083  CE2 TRP G 143      85.498 133.487  35.496  1.00  6.46           C  
-ATOM  11084  CE3 TRP G 143      86.260 133.998  33.256  1.00  7.16           C  
-ATOM  11085  CZ2 TRP G 143      86.763 133.016  35.853  1.00 10.86           C  
-ATOM  11086  CZ3 TRP G 143      87.505 133.574  33.627  1.00  4.79           C  
-ATOM  11087  CH2 TRP G 143      87.746 133.067  34.893  1.00  8.24           C  
-ATOM  11088  N   THR G 144      80.970 132.740  31.948  1.00 11.61           N  
-ATOM  11089  CA  THR G 144      79.967 131.776  32.416  1.00 11.00           C  
-ATOM  11090  C   THR G 144      79.034 131.234  31.340  1.00 11.23           C  
-ATOM  11091  O   THR G 144      78.146 130.471  31.659  1.00 11.17           O  
-ATOM  11092  CB  THR G 144      79.055 132.411  33.496  1.00 11.51           C  
-ATOM  11093  OG1 THR G 144      78.093 133.262  32.841  1.00  7.75           O  
-ATOM  11094  CG2 THR G 144      79.876 133.367  34.445  1.00  9.43           C  
-ATOM  11095  N   HIS G 145      79.182 131.650  30.085  1.00 11.33           N  
-ATOM  11096  CA  HIS G 145      78.364 131.067  29.029  1.00 11.07           C  
-ATOM  11097  C   HIS G 145      79.160 130.120  28.126  1.00 11.22           C  
-ATOM  11098  O   HIS G 145      80.087 130.524  27.439  1.00 11.32           O  
-ATOM  11099  CB  HIS G 145      77.665 132.135  28.176  1.00 10.57           C  
-ATOM  11100  CG  HIS G 145      76.768 133.047  28.949  1.00  8.65           C  
-ATOM  11101  ND1 HIS G 145      75.488 132.695  29.308  1.00  2.87           N  
-ATOM  11102  CD2 HIS G 145      76.954 134.316  29.409  1.00  8.98           C  
-ATOM  11103  CE1 HIS G 145      74.930 133.684  29.985  1.00  3.33           C  
-ATOM  11104  NE2 HIS G 145      75.797 134.688  30.048  1.00  5.64           N  
-ATOM  11105  N   HIS G 146      78.750 128.867  28.086  1.00 10.78           N  
-ATOM  11106  CA  HIS G 146      79.414 127.898  27.233  1.00 11.55           C  
-ATOM  11107  C   HIS G 146      79.045 128.065  25.736  1.00 11.73           C  
-ATOM  11108  O   HIS G 146      78.312 128.977  25.349  1.00 11.41           O  
-ATOM  11109  CB  HIS G 146      79.131 126.478  27.740  1.00 12.24           C  
-ATOM  11110  CG  HIS G 146      77.679 126.122  27.739  1.00 14.80           C  
-ATOM  11111  ND1 HIS G 146      76.995 125.773  26.588  1.00 17.08           N  
-ATOM  11112  CD2 HIS G 146      76.781 126.041  28.750  1.00 14.25           C  
-ATOM  11113  CE1 HIS G 146      75.739 125.500  26.891  1.00 16.18           C  
-ATOM  11114  NE2 HIS G 146      75.583 125.656  28.196  1.00 17.12           N  
-ATOM  11115  N   SER G 147      79.565 127.173  24.907  1.00 11.75           N  
-ATOM  11116  CA  SER G 147      79.512 127.288  23.443  1.00 11.94           C  
-ATOM  11117  C   SER G 147      78.094 127.288  22.830  1.00 12.07           C  
-ATOM  11118  O   SER G 147      77.878 127.790  21.730  1.00 12.47           O  
-ATOM  11119  CB  SER G 147      80.297 126.107  22.815  1.00 11.41           C  
-ATOM  11120  OG  SER G 147      79.474 124.941  22.779  1.00  9.36           O  
-ATOM  11121  N   ARG G 148      77.138 126.681  23.507  1.00 12.45           N  
-ATOM  11122  CA  ARG G 148      75.779 126.732  23.004  1.00 12.93           C  
-ATOM  11123  C   ARG G 148      75.059 128.044  23.369  1.00 12.77           C  
-ATOM  11124  O   ARG G 148      73.967 128.288  22.880  1.00 12.87           O  
-ATOM  11125  CB  ARG G 148      74.981 125.449  23.370  1.00 14.15           C  
-ATOM  11126  CG  ARG G 148      75.633 124.154  22.828  1.00 16.80           C  
-ATOM  11127  CD  ARG G 148      74.882 122.767  23.033  1.00 22.58           C  
-ATOM  11128  NE  ARG G 148      74.553 122.492  24.434  1.00 26.16           N  
-ATOM  11129  CZ  ARG G 148      73.341 122.669  24.977  1.00 28.97           C  
-ATOM  11130  NH1 ARG G 148      72.312 123.096  24.236  1.00 28.55           N  
-ATOM  11131  NH2 ARG G 148      73.156 122.422  26.271  1.00 29.25           N  
-ATOM  11132  N   GLU G 149      75.691 128.897  24.183  1.00 12.31           N  
-ATOM  11133  CA  GLU G 149      75.089 130.177  24.587  1.00 13.00           C  
-ATOM  11134  C   GLU G 149      75.829 131.380  24.028  1.00 12.79           C  
-ATOM  11135  O   GLU G 149      75.183 132.307  23.530  1.00 12.60           O  
-ATOM  11136  CB  GLU G 149      74.977 130.285  26.118  1.00 13.41           C  
-ATOM  11137  CG  GLU G 149      74.120 129.153  26.688  1.00 15.34           C  
-ATOM  11138  CD  GLU G 149      73.992 129.209  28.204  1.00 18.55           C  
-ATOM  11139  OE1 GLU G 149      74.790 129.926  28.833  1.00 15.75           O  
-ATOM  11140  OE2 GLU G 149      73.100 128.517  28.767  1.00 20.32           O  
-ATOM  11141  N   ILE G 150      77.168 131.369  24.111  1.00 12.84           N  
-ATOM  11142  CA  ILE G 150      77.994 132.371  23.430  1.00 13.46           C  
-ATOM  11143  C   ILE G 150      79.095 131.788  22.572  1.00 14.65           C  
-ATOM  11144  O   ILE G 150      79.879 130.968  23.037  1.00 15.20           O  
-ATOM  11145  CB  ILE G 150      78.605 133.358  24.448  1.00 13.71           C  
-ATOM  11146  CG1 ILE G 150      77.482 134.205  25.071  1.00 12.33           C  
-ATOM  11147  CG2 ILE G 150      79.694 134.186  23.775  1.00 11.23           C  
-ATOM  11148  CD1 ILE G 150      77.901 135.182  26.218  1.00 14.19           C  
-ATOM  11149  N   SER G 151      79.158 132.191  21.316  1.00 15.81           N  
-ATOM  11150  CA  SER G 151      80.367 131.931  20.521  1.00 17.99           C  
-ATOM  11151  C   SER G 151      81.175 133.227  20.387  1.00 19.39           C  
-ATOM  11152  O   SER G 151      80.611 134.324  20.378  1.00 19.18           O  
-ATOM  11153  CB  SER G 151      80.124 131.265  19.152  1.00 17.25           C  
-ATOM  11154  OG  SER G 151      78.965 131.721  18.488  1.00 18.99           O  
-ATOM  11155  N   VAL G 152      82.498 133.080  20.328  1.00 20.83           N  
-ATOM  11156  CA  VAL G 152      83.340 134.238  20.202  1.00 22.92           C  
-ATOM  11157  C   VAL G 152      84.182 134.097  18.977  1.00 24.57           C  
-ATOM  11158  O   VAL G 152      84.767 133.049  18.748  1.00 24.91           O  
-ATOM  11159  CB  VAL G 152      84.178 134.531  21.474  1.00 22.35           C  
-ATOM  11160  CG1 VAL G 152      83.286 134.596  22.694  1.00 21.71           C  
-ATOM  11161  CG2 VAL G 152      85.227 133.522  21.678  1.00 24.24           C  
-ATOM  11162  N   ASP G 153      84.222 135.155  18.178  1.00 26.96           N  
-ATOM  11163  CA  ASP G 153      84.946 135.154  16.901  1.00 29.42           C  
-ATOM  11164  C   ASP G 153      85.788 136.401  16.753  1.00 30.93           C  
-ATOM  11165  O   ASP G 153      85.401 137.489  17.194  1.00 30.53           O  
-ATOM  11166  CB  ASP G 153      83.972 135.138  15.733  1.00 29.58           C  
-ATOM  11167  CG  ASP G 153      83.289 133.786  15.542  1.00 31.81           C  
-ATOM  11168  OD1 ASP G 153      82.079 133.658  15.884  1.00 34.60           O  
-ATOM  11169  OD2 ASP G 153      83.873 132.813  15.037  1.00 33.93           O  
-ATOM  11170  N   PRO G 154      86.928 136.261  16.099  1.00 33.02           N  
-ATOM  11171  CA  PRO G 154      87.672 137.443  15.665  1.00 34.74           C  
-ATOM  11172  C   PRO G 154      86.800 138.230  14.696  1.00 36.28           C  
-ATOM  11173  O   PRO G 154      86.189 137.618  13.818  1.00 36.04           O  
-ATOM  11174  CB  PRO G 154      88.884 136.860  14.938  1.00 34.86           C  
-ATOM  11175  CG  PRO G 154      88.958 135.393  15.404  1.00 34.46           C  
-ATOM  11176  CD  PRO G 154      87.572 134.992  15.693  1.00 33.25           C  
-ATOM  11177  N   THR G 155      86.710 139.547  14.897  1.00 38.32           N  
-ATOM  11178  CA  THR G 155      86.052 140.463  13.957  1.00 40.62           C  
-ATOM  11179  C   THR G 155      86.633 140.236  12.569  1.00 41.53           C  
-ATOM  11180  O   THR G 155      87.854 140.131  12.418  1.00 41.80           O  
-ATOM  11181  CB  THR G 155      86.296 141.941  14.374  1.00 40.65           C  
-ATOM  11182  OG1 THR G 155      85.886 142.153  15.733  1.00 43.25           O  
-ATOM  11183  CG2 THR G 155      85.414 142.896  13.591  1.00 41.46           C  
-ATOM  11184  N   THR G 156      85.766 140.126  11.566  1.00 43.31           N  
-ATOM  11185  CA  THR G 156      86.208 139.900  10.181  1.00 44.85           C  
-ATOM  11186  C   THR G 156      86.533 141.264   9.530  1.00 46.16           C  
-ATOM  11187  O   THR G 156      85.630 142.088   9.323  1.00 46.65           O  
-ATOM  11188  CB  THR G 156      85.149 139.074   9.391  1.00 44.79           C  
-ATOM  11189  OG1 THR G 156      83.841 139.337   9.904  1.00 44.16           O  
-ATOM  11190  CG2 THR G 156      85.304 137.580   9.667  1.00 45.16           C  
-ATOM  11191  N   GLU G 157      87.818 141.505   9.233  1.00 47.36           N  
-ATOM  11192  CA  GLU G 157      88.339 142.877   9.055  1.00 48.52           C  
-ATOM  11193  C   GLU G 157      89.790 142.883   8.540  1.00 48.58           C  
-ATOM  11194  O   GLU G 157      90.585 142.003   8.896  1.00 48.64           O  
-ATOM  11195  CB  GLU G 157      88.298 143.597  10.417  1.00 48.94           C  
-ATOM  11196  CG  GLU G 157      88.023 145.100  10.431  1.00 51.22           C  
-ATOM  11197  CD  GLU G 157      88.097 145.685  11.847  1.00 54.63           C  
-ATOM  11198  OE1 GLU G 157      88.312 144.896  12.811  1.00 54.68           O  
-ATOM  11199  OE2 GLU G 157      87.944 146.929  12.013  1.00 55.92           O  
-ATOM  11200  N   ASN G 158      90.142 143.882   7.728  1.00 48.70           N  
-ATOM  11201  CA  ASN G 158      91.522 144.031   7.242  1.00 48.78           C  
-ATOM  11202  C   ASN G 158      92.116 145.443   7.385  1.00 48.40           C  
-ATOM  11203  O   ASN G 158      92.494 146.076   6.389  1.00 48.36           O  
-ATOM  11204  CB  ASN G 158      91.696 143.510   5.797  1.00 49.07           C  
-ATOM  11205  CG  ASN G 158      90.373 143.380   5.028  1.00 50.34           C  
-ATOM  11206  OD1 ASN G 158      90.207 142.452   4.227  1.00 50.35           O  
-ATOM  11207  ND2 ASN G 158      89.440 144.319   5.250  1.00 51.88           N  
-ATOM  11208  N   SER G 159      92.202 145.920   8.628  1.00 48.04           N  
-ATOM  11209  CA  SER G 159      92.877 147.193   8.946  1.00 47.54           C  
-ATOM  11210  C   SER G 159      94.200 146.994   9.719  1.00 46.80           C  
-ATOM  11211  O   SER G 159      94.360 145.996  10.440  1.00 46.27           O  
-ATOM  11212  CB  SER G 159      91.936 148.131   9.711  1.00 47.67           C  
-ATOM  11213  OG  SER G 159      91.223 147.433  10.717  1.00 48.42           O  
-ATOM  11214  N   ASP G 160      95.124 147.954   9.567  1.00 45.79           N  
-ATOM  11215  CA  ASP G 160      96.501 147.849  10.093  1.00 45.06           C  
-ATOM  11216  C   ASP G 160      96.603 147.501  11.592  1.00 43.80           C  
-ATOM  11217  O   ASP G 160      95.637 147.685  12.358  1.00 43.90           O  
-ATOM  11218  CB  ASP G 160      97.308 149.128   9.772  1.00 45.48           C  
-ATOM  11219  CG  ASP G 160      98.824 148.861   9.587  1.00 47.17           C  
-ATOM  11220  OD1 ASP G 160      99.215 148.077   8.679  1.00 48.60           O  
-ATOM  11221  OD2 ASP G 160      99.707 149.414  10.291  1.00 48.60           O  
-ATOM  11222  N   ASP G 161      97.774 146.990  11.988  1.00 42.04           N  
-ATOM  11223  CA  ASP G 161      98.067 146.621  13.382  1.00 40.55           C  
-ATOM  11224  C   ASP G 161      98.548 147.827  14.214  1.00 39.28           C  
-ATOM  11225  O   ASP G 161      98.071 148.065  15.341  1.00 38.84           O  
-ATOM  11226  CB  ASP G 161      99.104 145.487  13.445  1.00 40.63           C  
-ATOM  11227  CG  ASP G 161      98.583 144.163  12.881  1.00 40.59           C  
-ATOM  11228  OD1 ASP G 161      97.348 143.999  12.707  1.00 39.26           O  
-ATOM  11229  OD2 ASP G 161      99.358 143.222  12.582  1.00 40.73           O  
-ATOM  11230  N   SER G 162      99.481 148.585  13.639  1.00 37.22           N  
-ATOM  11231  CA  SER G 162      99.945 149.846  14.228  1.00 35.54           C  
-ATOM  11232  C   SER G 162      98.950 151.008  14.043  1.00 34.28           C  
-ATOM  11233  O   SER G 162      99.294 152.192  14.240  1.00 34.02           O  
-ATOM  11234  CB  SER G 162     101.308 150.223  13.645  1.00 35.10           C  
-ATOM  11235  OG  SER G 162     102.325 150.003  14.594  1.00 34.37           O  
-ATOM  11236  N   GLU G 163      97.722 150.674  13.665  1.00 32.42           N  
-ATOM  11237  CA  GLU G 163      96.815 151.686  13.155  1.00 30.82           C  
-ATOM  11238  C   GLU G 163      96.640 152.836  14.144  1.00 29.52           C  
-ATOM  11239  O   GLU G 163      96.963 153.980  13.822  1.00 29.57           O  
-ATOM  11240  CB  GLU G 163      95.466 151.072  12.778  1.00 31.21           C  
-ATOM  11241  CG  GLU G 163      94.704 151.895  11.744  1.00 32.14           C  
-ATOM  11242  CD  GLU G 163      93.435 151.210  11.274  1.00 33.00           C  
-ATOM  11243  OE1 GLU G 163      92.800 150.482  12.076  1.00 34.20           O  
-ATOM  11244  OE2 GLU G 163      93.064 151.408  10.102  1.00 33.99           O  
-ATOM  11245  N   TYR G 164      96.148 152.525  15.345  1.00 26.93           N  
-ATOM  11246  CA  TYR G 164      95.925 153.551  16.354  1.00 24.74           C  
-ATOM  11247  C   TYR G 164      96.891 153.383  17.510  1.00 23.25           C  
-ATOM  11248  O   TYR G 164      96.682 153.898  18.620  1.00 22.20           O  
-ATOM  11249  CB  TYR G 164      94.491 153.517  16.836  1.00 24.35           C  
-ATOM  11250  CG  TYR G 164      93.514 153.502  15.700  1.00 24.87           C  
-ATOM  11251  CD1 TYR G 164      93.249 154.657  14.973  1.00 23.95           C  
-ATOM  11252  CD2 TYR G 164      92.854 152.326  15.350  1.00 24.86           C  
-ATOM  11253  CE1 TYR G 164      92.358 154.640  13.925  1.00 26.37           C  
-ATOM  11254  CE2 TYR G 164      91.950 152.299  14.320  1.00 25.82           C  
-ATOM  11255  CZ  TYR G 164      91.703 153.453  13.613  1.00 26.57           C  
-ATOM  11256  OH  TYR G 164      90.816 153.411  12.577  1.00 28.54           O  
-ATOM  11257  N   PHE G 165      97.959 152.654  17.237  1.00 21.66           N  
-ATOM  11258  CA  PHE G 165      98.998 152.510  18.230  1.00 20.03           C  
-ATOM  11259  C   PHE G 165      99.793 153.796  18.342  1.00 19.24           C  
-ATOM  11260  O   PHE G 165     100.188 154.380  17.342  1.00 18.83           O  
-ATOM  11261  CB  PHE G 165      99.906 151.337  17.933  1.00 19.49           C  
-ATOM  11262  CG  PHE G 165     100.772 150.966  19.083  1.00 18.61           C  
-ATOM  11263  CD1 PHE G 165     100.244 150.333  20.201  1.00 17.61           C  
-ATOM  11264  CD2 PHE G 165     102.113 151.293  19.070  1.00 17.40           C  
-ATOM  11265  CE1 PHE G 165     101.048 150.008  21.274  1.00 18.25           C  
-ATOM  11266  CE2 PHE G 165     102.927 150.969  20.134  1.00 17.57           C  
-ATOM  11267  CZ  PHE G 165     102.400 150.323  21.240  1.00 17.34           C  
-ATOM  11268  N   SER G 166     100.010 154.245  19.569  1.00 18.27           N  
-ATOM  11269  CA  SER G 166     100.684 155.510  19.806  1.00 17.44           C  
-ATOM  11270  C   SER G 166     102.103 155.542  19.252  1.00 17.07           C  
-ATOM  11271  O   SER G 166     102.935 154.676  19.561  1.00 16.26           O  
-ATOM  11272  CB  SER G 166     100.695 155.809  21.296  1.00 17.32           C  
-ATOM  11273  OG  SER G 166     101.570 156.857  21.599  1.00 17.39           O  
-ATOM  11274  N   GLN G 167     102.388 156.570  18.460  1.00 17.10           N  
-ATOM  11275  CA  GLN G 167     103.717 156.794  17.918  1.00 17.62           C  
-ATOM  11276  C   GLN G 167     104.703 157.208  19.001  1.00 17.43           C  
-ATOM  11277  O   GLN G 167     105.889 157.276  18.743  1.00 17.02           O  
-ATOM  11278  CB  GLN G 167     103.681 157.843  16.801  1.00 18.22           C  
-ATOM  11279  CG  GLN G 167     103.408 159.260  17.324  1.00 19.99           C  
-ATOM  11280  CD  GLN G 167     103.184 160.274  16.229  1.00 22.64           C  
-ATOM  11281  OE1 GLN G 167     104.145 160.704  15.572  1.00 22.87           O  
-ATOM  11282  NE2 GLN G 167     101.914 160.674  16.031  1.00 22.13           N  
-ATOM  11283  N   TYR G 168     104.217 157.444  20.220  1.00 17.51           N  
-ATOM  11284  CA  TYR G 168     105.078 157.948  21.293  1.00 17.25           C  
-ATOM  11285  C   TYR G 168     105.452 156.885  22.282  1.00 17.05           C  
-ATOM  11286  O   TYR G 168     106.295 157.107  23.151  1.00 17.34           O  
-ATOM  11287  CB  TYR G 168     104.439 159.154  21.985  1.00 17.46           C  
-ATOM  11288  CG  TYR G 168     104.178 160.286  21.023  1.00 17.16           C  
-ATOM  11289  CD1 TYR G 168     105.226 160.879  20.318  1.00 17.22           C  
-ATOM  11290  CD2 TYR G 168     102.885 160.748  20.791  1.00 17.21           C  
-ATOM  11291  CE1 TYR G 168     104.986 161.937  19.410  1.00 17.90           C  
-ATOM  11292  CE2 TYR G 168     102.637 161.779  19.900  1.00 16.79           C  
-ATOM  11293  CZ  TYR G 168     103.682 162.368  19.216  1.00 17.60           C  
-ATOM  11294  OH  TYR G 168     103.406 163.383  18.339  1.00 18.89           O  
-ATOM  11295  N   SER G 169     104.855 155.714  22.126  1.00 16.26           N  
-ATOM  11296  CA  SER G 169     105.240 154.546  22.882  1.00 16.01           C  
-ATOM  11297  C   SER G 169     106.710 154.174  22.729  1.00 16.17           C  
-ATOM  11298  O   SER G 169     107.368 154.473  21.733  1.00 15.85           O  
-ATOM  11299  CB  SER G 169     104.382 153.354  22.486  1.00 15.92           C  
-ATOM  11300  OG  SER G 169     104.723 152.215  23.270  1.00 16.29           O  
-ATOM  11301  N   ARG G 170     107.223 153.509  23.745  1.00 16.44           N  
-ATOM  11302  CA  ARG G 170     108.589 153.034  23.749  1.00 16.86           C  
-ATOM  11303  C   ARG G 170     108.710 151.737  22.943  1.00 16.11           C  
-ATOM  11304  O   ARG G 170     109.816 151.324  22.606  1.00 15.48           O  
-ATOM  11305  CB  ARG G 170     108.995 152.716  25.180  1.00 17.40           C  
-ATOM  11306  CG  ARG G 170     109.977 153.661  25.819  1.00 20.33           C  
-ATOM  11307  CD  ARG G 170     110.362 153.200  27.221  1.00 23.89           C  
-ATOM  11308  NE  ARG G 170     109.169 152.747  27.950  1.00 26.43           N  
-ATOM  11309  CZ  ARG G 170     109.182 152.027  29.074  1.00 27.47           C  
-ATOM  11310  NH1 ARG G 170     110.357 151.668  29.606  1.00 25.14           N  
-ATOM  11311  NH2 ARG G 170     108.014 151.666  29.652  1.00 24.93           N  
-ATOM  11312  N   PHE G 171     107.568 151.091  22.699  1.00 15.43           N  
-ATOM  11313  CA  PHE G 171     107.470 149.825  21.969  1.00 15.27           C  
-ATOM  11314  C   PHE G 171     106.833 150.064  20.602  1.00 15.68           C  
-ATOM  11315  O   PHE G 171     106.246 151.118  20.380  1.00 15.45           O  
-ATOM  11316  CB  PHE G 171     106.639 148.805  22.786  1.00 14.34           C  
-ATOM  11317  CG  PHE G 171     107.132 148.655  24.166  1.00 11.66           C  
-ATOM  11318  CD1 PHE G 171     106.665 149.493  25.176  1.00  9.97           C  
-ATOM  11319  CD2 PHE G 171     108.138 147.760  24.448  1.00  9.53           C  
-ATOM  11320  CE1 PHE G 171     107.183 149.414  26.455  1.00  9.99           C  
-ATOM  11321  CE2 PHE G 171     108.653 147.663  25.730  1.00 10.27           C  
-ATOM  11322  CZ  PHE G 171     108.185 148.496  26.733  1.00  8.90           C  
-ATOM  11323  N   GLU G 172     106.979 149.090  19.702  1.00 16.00           N  
-ATOM  11324  CA  GLU G 172     106.329 149.098  18.401  1.00 17.03           C  
-ATOM  11325  C   GLU G 172     105.722 147.735  18.204  1.00 17.17           C  
-ATOM  11326  O   GLU G 172     106.245 146.760  18.713  1.00 17.27           O  
-ATOM  11327  CB  GLU G 172     107.314 149.431  17.262  1.00 17.33           C  
-ATOM  11328  CG  GLU G 172     108.540 148.535  17.160  1.00 18.87           C  
-ATOM  11329  CD  GLU G 172     109.513 148.954  16.074  1.00 22.49           C  
-ATOM  11330  OE1 GLU G 172     109.128 149.701  15.154  1.00 24.98           O  
-ATOM  11331  OE2 GLU G 172     110.691 148.531  16.132  1.00 22.98           O  
-ATOM  11332  N   ILE G 173     104.611 147.684  17.478  1.00 17.63           N  
-ATOM  11333  CA  ILE G 173     103.926 146.436  17.184  1.00 18.15           C  
-ATOM  11334  C   ILE G 173     104.395 145.864  15.851  1.00 18.66           C  
-ATOM  11335  O   ILE G 173     104.426 146.544  14.822  1.00 18.66           O  
-ATOM  11336  CB  ILE G 173     102.418 146.653  17.184  1.00 18.41           C  
-ATOM  11337  CG1 ILE G 173     101.956 146.997  18.608  1.00 18.54           C  
-ATOM  11338  CG2 ILE G 173     101.713 145.421  16.628  1.00 18.51           C  
-ATOM  11339  CD1 ILE G 173     100.519 147.370  18.700  1.00 20.68           C  
-ATOM  11340  N   LEU G 174     104.791 144.605  15.879  1.00 19.03           N  
-ATOM  11341  CA  LEU G 174     105.239 143.930  14.663  1.00 19.48           C  
-ATOM  11342  C   LEU G 174     104.086 143.203  13.972  1.00 19.88           C  
-ATOM  11343  O   LEU G 174     103.986 143.205  12.738  1.00 19.84           O  
-ATOM  11344  CB  LEU G 174     106.368 142.966  14.985  1.00 19.04           C  
-ATOM  11345  CG  LEU G 174     107.578 143.593  15.681  1.00 19.49           C  
-ATOM  11346  CD1 LEU G 174     108.551 142.507  16.101  1.00 19.71           C  
-ATOM  11347  CD2 LEU G 174     108.289 144.611  14.772  1.00 19.00           C  
-ATOM  11348  N   ASP G 175     103.205 142.614  14.775  1.00 20.14           N  
-ATOM  11349  CA  ASP G 175     102.104 141.812  14.259  1.00 21.22           C  
-ATOM  11350  C   ASP G 175     101.078 141.521  15.340  1.00 20.98           C  
-ATOM  11351  O   ASP G 175     101.439 141.386  16.494  1.00 20.48           O  
-ATOM  11352  CB  ASP G 175     102.641 140.476  13.715  1.00 21.81           C  
-ATOM  11353  CG  ASP G 175     101.835 139.949  12.545  1.00 24.22           C  
-ATOM  11354  OD1 ASP G 175     100.727 140.454  12.235  1.00 26.03           O  
-ATOM  11355  OD2 ASP G 175     102.268 139.008  11.853  1.00 28.04           O  
-ATOM  11356  N   VAL G 176      99.812 141.436  14.937  1.00 21.48           N  
-ATOM  11357  CA  VAL G 176      98.717 140.985  15.799  1.00 22.05           C  
-ATOM  11358  C   VAL G 176      97.980 139.891  15.039  1.00 22.92           C  
-ATOM  11359  O   VAL G 176      97.550 140.116  13.897  1.00 23.07           O  
-ATOM  11360  CB  VAL G 176      97.744 142.117  16.129  1.00 21.98           C  
-ATOM  11361  CG1 VAL G 176      96.637 141.633  17.103  1.00 21.33           C  
-ATOM  11362  CG2 VAL G 176      98.488 143.297  16.705  1.00 21.06           C  
-ATOM  11363  N   THR G 177      97.901 138.697  15.635  1.00 23.51           N  
-ATOM  11364  CA  THR G 177      97.094 137.599  15.076  1.00 24.14           C  
-ATOM  11365  C   THR G 177      96.059 137.140  16.098  1.00 24.15           C  
-ATOM  11366  O   THR G 177      96.312 137.176  17.296  1.00 23.65           O  
-ATOM  11367  CB  THR G 177      97.951 136.398  14.603  1.00 24.26           C  
-ATOM  11368  OG1 THR G 177      98.812 135.971  15.665  1.00 25.40           O  
-ATOM  11369  CG2 THR G 177      98.917 136.781  13.468  1.00 24.72           C  
-ATOM  11370  N   GLN G 178      94.886 136.752  15.602  1.00 25.12           N  
-ATOM  11371  CA  GLN G 178      93.787 136.269  16.419  1.00 26.39           C  
-ATOM  11372  C   GLN G 178      93.594 134.758  16.156  1.00 26.52           C  
-ATOM  11373  O   GLN G 178      93.891 134.248  15.059  1.00 26.75           O  
-ATOM  11374  CB  GLN G 178      92.505 137.091  16.147  1.00 26.92           C  
-ATOM  11375  CG  GLN G 178      92.720 138.592  15.742  1.00 30.91           C  
-ATOM  11376  CD  GLN G 178      91.955 139.648  16.620  1.00 37.16           C  
-ATOM  11377  OE1 GLN G 178      90.713 139.586  16.783  1.00 39.10           O  
-ATOM  11378  NE2 GLN G 178      92.703 140.635  17.154  1.00 38.26           N  
-ATOM  11379  N   LYS G 179      93.125 134.031  17.168  1.00 26.45           N  
-ATOM  11380  CA  LYS G 179      92.950 132.567  17.078  1.00 25.93           C  
-ATOM  11381  C   LYS G 179      91.817 132.118  18.010  1.00 24.95           C  
-ATOM  11382  O   LYS G 179      91.860 132.396  19.206  1.00 25.03           O  
-ATOM  11383  CB  LYS G 179      94.256 131.870  17.472  1.00 25.91           C  
-ATOM  11384  CG  LYS G 179      94.368 130.421  17.055  1.00 28.30           C  
-ATOM  11385  CD  LYS G 179      95.454 129.702  17.848  1.00 30.25           C  
-ATOM  11386  CE  LYS G 179      95.845 128.362  17.204  1.00 31.56           C  
-ATOM  11387  NZ  LYS G 179      97.332 128.231  17.075  1.00 32.50           N  
-ATOM  11388  N   LYS G 180      90.797 131.450  17.486  1.00 24.01           N  
-ATOM  11389  CA  LYS G 180      89.731 130.954  18.356  1.00 23.03           C  
-ATOM  11390  C   LYS G 180      89.994 129.558  18.870  1.00 22.10           C  
-ATOM  11391  O   LYS G 180      90.494 128.706  18.150  1.00 22.26           O  
-ATOM  11392  CB  LYS G 180      88.348 131.034  17.709  1.00 23.82           C  
-ATOM  11393  CG  LYS G 180      88.257 130.718  16.238  1.00 24.53           C  
-ATOM  11394  CD  LYS G 180      86.807 130.764  15.761  1.00 27.27           C  
-ATOM  11395  CE  LYS G 180      85.928 129.730  16.474  1.00 28.42           C  
-ATOM  11396  NZ  LYS G 180      85.107 130.328  17.582  1.00 31.19           N  
-ATOM  11397  N   ASN G 181      89.693 129.347  20.144  1.00 20.81           N  
-ATOM  11398  CA  ASN G 181      89.805 128.036  20.771  1.00 19.83           C  
-ATOM  11399  C   ASN G 181      88.500 127.708  21.478  1.00 19.19           C  
-ATOM  11400  O   ASN G 181      87.617 128.552  21.610  1.00 19.51           O  
-ATOM  11401  CB  ASN G 181      90.978 127.963  21.772  1.00 19.60           C  
-ATOM  11402  CG  ASN G 181      92.273 128.553  21.226  1.00 18.56           C  
-ATOM  11403  OD1 ASN G 181      93.076 127.843  20.633  1.00 17.31           O  
-ATOM  11404  ND2 ASN G 181      92.488 129.865  21.448  1.00 15.92           N  
-ATOM  11405  N   SER G 182      88.408 126.471  21.942  1.00 18.48           N  
-ATOM  11406  CA  SER G 182      87.218 125.928  22.552  1.00 18.10           C  
-ATOM  11407  C   SER G 182      87.695 124.981  23.671  1.00 17.75           C  
-ATOM  11408  O   SER G 182      88.264 123.935  23.386  1.00 17.24           O  
-ATOM  11409  CB  SER G 182      86.459 125.168  21.467  1.00 17.79           C  
-ATOM  11410  OG  SER G 182      85.175 124.777  21.877  1.00 18.09           O  
-ATOM  11411  N   VAL G 183      87.484 125.347  24.932  1.00 16.61           N  
-ATOM  11412  CA  VAL G 183      88.105 124.605  26.027  1.00 16.16           C  
-ATOM  11413  C   VAL G 183      87.079 124.058  26.984  1.00 15.26           C  
-ATOM  11414  O   VAL G 183      86.050 124.678  27.229  1.00 14.51           O  
-ATOM  11415  CB  VAL G 183      89.107 125.487  26.858  1.00 17.31           C  
-ATOM  11416  CG1 VAL G 183      89.998 124.613  27.744  1.00 17.66           C  
-ATOM  11417  CG2 VAL G 183      89.955 126.423  25.946  1.00 16.99           C  
-ATOM  11418  N   THR G 184      87.370 122.882  27.523  1.00 15.11           N  
-ATOM  11419  CA  THR G 184      86.622 122.345  28.638  1.00 15.65           C  
-ATOM  11420  C   THR G 184      87.435 122.343  29.951  1.00 15.80           C  
-ATOM  11421  O   THR G 184      88.548 121.778  30.029  1.00 16.10           O  
-ATOM  11422  CB  THR G 184      86.068 120.935  28.298  1.00 16.48           C  
-ATOM  11423  OG1 THR G 184      85.554 120.919  26.952  1.00 16.66           O  
-ATOM  11424  CG2 THR G 184      84.822 120.648  29.148  1.00 17.06           C  
-ATOM  11425  N   TYR G 185      86.864 122.985  30.967  1.00 14.77           N  
-ATOM  11426  CA  TYR G 185      87.454 123.099  32.299  1.00 14.91           C  
-ATOM  11427  C   TYR G 185      86.920 122.039  33.234  1.00 15.87           C  
-ATOM  11428  O   TYR G 185      85.747 121.682  33.169  1.00 15.54           O  
-ATOM  11429  CB  TYR G 185      87.168 124.510  32.885  1.00 13.42           C  
-ATOM  11430  CG  TYR G 185      87.671 125.538  31.942  1.00 12.33           C  
-ATOM  11431  CD1 TYR G 185      89.004 125.935  31.956  1.00 11.54           C  
-ATOM  11432  CD2 TYR G 185      86.845 126.052  30.962  1.00 11.94           C  
-ATOM  11433  CE1 TYR G 185      89.465 126.857  31.046  1.00 10.59           C  
-ATOM  11434  CE2 TYR G 185      87.293 126.978  30.077  1.00  9.57           C  
-ATOM  11435  CZ  TYR G 185      88.585 127.363  30.103  1.00  9.93           C  
-ATOM  11436  OH  TYR G 185      88.998 128.262  29.142  1.00 13.94           O  
-ATOM  11437  N   SER G 186      87.780 121.587  34.139  1.00 17.63           N  
-ATOM  11438  CA  SER G 186      87.481 120.490  35.061  1.00 19.18           C  
-ATOM  11439  C   SER G 186      86.239 120.784  35.901  1.00 19.64           C  
-ATOM  11440  O   SER G 186      85.581 119.868  36.388  1.00 19.46           O  
-ATOM  11441  CB  SER G 186      88.695 120.228  35.972  1.00 19.74           C  
-ATOM  11442  OG  SER G 186      89.595 119.250  35.417  1.00 22.35           O  
-ATOM  11443  N   CYS G 187      85.941 122.072  36.044  1.00 20.11           N  
-ATOM  11444  CA  CYS G 187      84.819 122.610  36.791  1.00 20.95           C  
-ATOM  11445  C   CYS G 187      83.465 122.202  36.250  1.00 21.24           C  
-ATOM  11446  O   CYS G 187      82.504 122.084  37.011  1.00 21.20           O  
-ATOM  11447  CB  CYS G 187      84.903 124.159  36.740  1.00 22.08           C  
-ATOM  11448  SG  CYS G 187      84.272 124.967  35.209  1.00 25.14           S  
-ATOM  11449  N   CYS G 188      83.378 122.046  34.927  1.00 21.63           N  
-ATOM  11450  CA  CYS G 188      82.093 122.018  34.213  1.00 22.09           C  
-ATOM  11451  C   CYS G 188      82.110 121.121  32.954  1.00 21.15           C  
-ATOM  11452  O   CYS G 188      83.142 120.921  32.355  1.00 21.46           O  
-ATOM  11453  CB  CYS G 188      81.690 123.456  33.849  1.00 22.89           C  
-ATOM  11454  SG  CYS G 188      82.223 124.761  35.004  1.00 26.42           S  
-ATOM  11455  N   PRO G 189      80.979 120.587  32.526  1.00 20.71           N  
-ATOM  11456  CA  PRO G 189      81.000 119.599  31.427  1.00 20.34           C  
-ATOM  11457  C   PRO G 189      81.070 120.183  29.988  1.00 19.58           C  
-ATOM  11458  O   PRO G 189      81.602 119.530  29.095  1.00 18.94           O  
-ATOM  11459  CB  PRO G 189      79.723 118.787  31.662  1.00 20.32           C  
-ATOM  11460  CG  PRO G 189      78.748 119.767  32.390  1.00 20.43           C  
-ATOM  11461  CD  PRO G 189      79.614 120.862  33.023  1.00 21.08           C  
-ATOM  11462  N   GLU G 190      80.598 121.410  29.794  1.00 19.13           N  
-ATOM  11463  CA  GLU G 190      80.531 122.029  28.468  1.00 18.61           C  
-ATOM  11464  C   GLU G 190      81.826 122.730  28.054  1.00 17.43           C  
-ATOM  11465  O   GLU G 190      82.682 123.015  28.878  1.00 17.72           O  
-ATOM  11466  CB  GLU G 190      79.377 123.024  28.406  1.00 18.78           C  
-ATOM  11467  CG  GLU G 190      78.088 122.585  29.079  1.00 20.97           C  
-ATOM  11468  CD  GLU G 190      77.082 122.032  28.089  1.00 25.62           C  
-ATOM  11469  OE1 GLU G 190      75.939 122.580  28.001  1.00 28.18           O  
-ATOM  11470  OE2 GLU G 190      77.428 121.048  27.398  1.00 24.28           O  
-ATOM  11471  N   ALA G 191      81.949 123.012  26.768  1.00 16.89           N  
-ATOM  11472  CA  ALA G 191      83.076 123.734  26.219  1.00 16.32           C  
-ATOM  11473  C   ALA G 191      82.781 125.235  26.210  1.00 15.98           C  
-ATOM  11474  O   ALA G 191      81.661 125.620  25.927  1.00 14.98           O  
-ATOM  11475  CB  ALA G 191      83.357 123.269  24.829  1.00 16.47           C  
-ATOM  11476  N   TYR G 192      83.805 126.045  26.488  1.00 15.60           N  
-ATOM  11477  CA  TYR G 192      83.735 127.500  26.463  1.00 16.33           C  
-ATOM  11478  C   TYR G 192      84.629 128.050  25.370  1.00 16.89           C  
-ATOM  11479  O   TYR G 192      85.774 127.640  25.224  1.00 17.10           O  
-ATOM  11480  CB  TYR G 192      84.156 128.098  27.813  1.00 15.55           C  
-ATOM  11481  CG  TYR G 192      83.198 127.727  28.922  1.00 15.99           C  
-ATOM  11482  CD1 TYR G 192      83.293 126.488  29.577  1.00 15.70           C  
-ATOM  11483  CD2 TYR G 192      82.198 128.610  29.308  1.00 15.29           C  
-ATOM  11484  CE1 TYR G 192      82.414 126.145  30.576  1.00 16.42           C  
-ATOM  11485  CE2 TYR G 192      81.307 128.286  30.306  1.00 16.06           C  
-ATOM  11486  CZ  TYR G 192      81.417 127.037  30.934  1.00 16.54           C  
-ATOM  11487  OH  TYR G 192      80.535 126.710  31.934  1.00 17.83           O  
-ATOM  11488  N   GLU G 193      84.115 128.996  24.607  1.00 17.32           N  
-ATOM  11489  CA  GLU G 193      84.897 129.556  23.516  1.00 17.92           C  
-ATOM  11490  C   GLU G 193      85.742 130.754  23.947  1.00 18.65           C  
-ATOM  11491  O   GLU G 193      85.336 131.569  24.789  1.00 18.09           O  
-ATOM  11492  CB  GLU G 193      83.992 129.917  22.360  1.00 17.91           C  
-ATOM  11493  CG  GLU G 193      83.353 128.696  21.699  1.00 18.41           C  
-ATOM  11494  CD  GLU G 193      82.705 128.985  20.360  1.00 19.91           C  
-ATOM  11495  OE1 GLU G 193      82.906 130.083  19.792  1.00 20.25           O  
-ATOM  11496  OE2 GLU G 193      81.985 128.096  19.860  1.00 21.71           O  
-ATOM  11497  N   ASP G 194      86.930 130.858  23.366  1.00 19.39           N  
-ATOM  11498  CA  ASP G 194      87.764 132.011  23.602  1.00 20.24           C  
-ATOM  11499  C   ASP G 194      88.451 132.465  22.332  1.00 20.15           C  
-ATOM  11500  O   ASP G 194      88.604 131.683  21.388  1.00 19.38           O  
-ATOM  11501  CB  ASP G 194      88.777 131.735  24.692  1.00 20.82           C  
-ATOM  11502  CG  ASP G 194      89.851 130.754  24.288  1.00 24.58           C  
-ATOM  11503  OD1 ASP G 194      90.713 131.076  23.425  1.00 27.96           O  
-ATOM  11504  OD2 ASP G 194      89.928 129.621  24.812  1.00 29.24           O  
-ATOM  11505  N   VAL G 195      88.851 133.734  22.310  1.00 19.46           N  
-ATOM  11506  CA  VAL G 195      89.757 134.206  21.276  1.00 19.68           C  
-ATOM  11507  C   VAL G 195      91.118 134.481  21.928  1.00 19.20           C  
-ATOM  11508  O   VAL G 195      91.209 135.130  22.986  1.00 19.00           O  
-ATOM  11509  CB  VAL G 195      89.228 135.481  20.553  1.00 19.99           C  
-ATOM  11510  CG1 VAL G 195      90.266 135.997  19.532  1.00 21.12           C  
-ATOM  11511  CG2 VAL G 195      87.945 135.194  19.822  1.00 20.65           C  
-ATOM  11512  N   GLU G 196      92.167 133.968  21.305  1.00 18.97           N  
-ATOM  11513  CA  GLU G 196      93.535 134.256  21.710  1.00 19.40           C  
-ATOM  11514  C   GLU G 196      94.117 135.342  20.797  1.00 18.70           C  
-ATOM  11515  O   GLU G 196      94.206 135.170  19.573  1.00 18.72           O  
-ATOM  11516  CB  GLU G 196      94.398 132.980  21.716  1.00 19.07           C  
-ATOM  11517  CG  GLU G 196      94.314 132.230  23.053  1.00 23.28           C  
-ATOM  11518  CD  GLU G 196      95.010 130.868  23.097  1.00 27.89           C  
-ATOM  11519  OE1 GLU G 196      95.632 130.433  22.078  1.00 28.67           O  
-ATOM  11520  OE2 GLU G 196      94.932 130.213  24.177  1.00 28.76           O  
-ATOM  11521  N   VAL G 197      94.492 136.466  21.389  1.00 18.02           N  
-ATOM  11522  CA  VAL G 197      95.089 137.549  20.619  1.00 17.62           C  
-ATOM  11523  C   VAL G 197      96.581 137.583  20.907  1.00 17.49           C  
-ATOM  11524  O   VAL G 197      96.996 137.771  22.045  1.00 17.08           O  
-ATOM  11525  CB  VAL G 197      94.396 138.878  20.912  1.00 17.92           C  
-ATOM  11526  CG1 VAL G 197      95.007 140.034  20.105  1.00 17.39           C  
-ATOM  11527  CG2 VAL G 197      92.912 138.763  20.594  1.00 18.11           C  
-ATOM  11528  N   SER G 198      97.380 137.314  19.879  1.00 17.43           N  
-ATOM  11529  CA  SER G 198      98.832 137.302  20.007  1.00 17.46           C  
-ATOM  11530  C   SER G 198      99.426 138.649  19.549  1.00 17.47           C  
-ATOM  11531  O   SER G 198      99.333 139.030  18.370  1.00 16.95           O  
-ATOM  11532  CB  SER G 198      99.420 136.138  19.211  1.00 17.85           C  
-ATOM  11533  OG  SER G 198      99.021 134.913  19.814  1.00 19.56           O  
-ATOM  11534  N   LEU G 199      99.989 139.378  20.513  1.00 17.01           N  
-ATOM  11535  CA  LEU G 199     100.602 140.665  20.257  1.00 16.96           C  
-ATOM  11536  C   LEU G 199     102.118 140.495  20.127  1.00 16.60           C  
-ATOM  11537  O   LEU G 199     102.786 140.187  21.103  1.00 16.65           O  
-ATOM  11538  CB  LEU G 199     100.251 141.636  21.383  1.00 17.09           C  
-ATOM  11539  CG  LEU G 199     100.940 143.012  21.451  1.00 18.19           C  
-ATOM  11540  CD1 LEU G 199     100.609 143.905  20.285  1.00 18.49           C  
-ATOM  11541  CD2 LEU G 199     100.526 143.667  22.736  1.00 18.81           C  
-ATOM  11542  N   ASN G 200     102.640 140.664  18.915  1.00 15.99           N  
-ATOM  11543  CA  ASN G 200     104.073 140.569  18.641  1.00 15.87           C  
-ATOM  11544  C   ASN G 200     104.637 141.987  18.653  1.00 15.16           C  
-ATOM  11545  O   ASN G 200     104.288 142.816  17.810  1.00 14.61           O  
-ATOM  11546  CB  ASN G 200     104.342 139.863  17.294  1.00 15.71           C  
-ATOM  11547  CG  ASN G 200     105.832 139.617  17.022  1.00 17.36           C  
-ATOM  11548  OD1 ASN G 200     106.257 139.498  15.857  1.00 17.96           O  
-ATOM  11549  ND2 ASN G 200     106.632 139.501  18.088  1.00 18.50           N  
-ATOM  11550  N   PHE G 201     105.473 142.269  19.643  1.00 14.13           N  
-ATOM  11551  CA  PHE G 201     105.954 143.628  19.848  1.00 14.20           C  
-ATOM  11552  C   PHE G 201     107.399 143.647  20.334  1.00 13.57           C  
-ATOM  11553  O   PHE G 201     107.890 142.678  20.901  1.00 13.28           O  
-ATOM  11554  CB  PHE G 201     105.043 144.389  20.816  1.00 14.09           C  
-ATOM  11555  CG  PHE G 201     105.183 143.958  22.252  1.00 15.45           C  
-ATOM  11556  CD1 PHE G 201     104.650 142.741  22.693  1.00 15.78           C  
-ATOM  11557  CD2 PHE G 201     105.836 144.771  23.169  1.00 15.99           C  
-ATOM  11558  CE1 PHE G 201     104.767 142.350  24.025  1.00 16.36           C  
-ATOM  11559  CE2 PHE G 201     105.960 144.394  24.484  1.00 16.30           C  
-ATOM  11560  CZ  PHE G 201     105.424 143.184  24.928  1.00 16.30           C  
-ATOM  11561  N   ARG G 202     108.096 144.739  20.093  1.00 13.54           N  
-ATOM  11562  CA  ARG G 202     109.473 144.842  20.565  1.00 14.23           C  
-ATOM  11563  C   ARG G 202     109.723 146.248  21.041  1.00 14.76           C  
-ATOM  11564  O   ARG G 202     108.971 147.159  20.694  1.00 15.42           O  
-ATOM  11565  CB  ARG G 202     110.478 144.471  19.455  1.00 14.02           C  
-ATOM  11566  CG  ARG G 202     110.649 145.548  18.371  1.00 13.29           C  
-ATOM  11567  CD  ARG G 202     111.792 145.296  17.395  1.00 14.16           C  
-ATOM  11568  NE  ARG G 202     111.579 146.041  16.156  1.00 14.87           N  
-ATOM  11569  CZ  ARG G 202     111.933 145.618  14.946  1.00 17.62           C  
-ATOM  11570  NH1 ARG G 202     112.539 144.446  14.787  1.00 18.45           N  
-ATOM  11571  NH2 ARG G 202     111.697 146.378  13.882  1.00 17.88           N  
-ATOM  11572  N   LYS G 203     110.772 146.409  21.840  1.00 15.33           N  
-ATOM  11573  CA  LYS G 203     111.204 147.692  22.339  1.00 16.06           C  
-ATOM  11574  C   LYS G 203     111.924 148.403  21.207  1.00 16.50           C  
-ATOM  11575  O   LYS G 203     112.769 147.799  20.541  1.00 16.50           O  
-ATOM  11576  CB  LYS G 203     112.154 147.469  23.510  1.00 16.72           C  
-ATOM  11577  CG  LYS G 203     112.388 148.683  24.385  1.00 18.79           C  
-ATOM  11578  CD  LYS G 203     113.646 148.483  25.240  1.00 23.88           C  
-ATOM  11579  CE  LYS G 203     113.273 148.070  26.663  1.00 26.37           C  
-ATOM  11580  NZ  LYS G 203     112.860 149.263  27.475  1.00 28.49           N  
-ATOM  11581  N   LYS G 204     111.590 149.668  20.969  1.00 16.60           N  
-ATOM  11582  CA  LYS G 204     112.301 150.446  19.959  1.00 17.71           C  
-ATOM  11583  C   LYS G 204     113.821 150.513  20.242  1.00 18.15           C  
-ATOM  11584  O   LYS G 204     114.242 150.676  21.386  1.00 18.37           O  
-ATOM  11585  CB  LYS G 204     111.687 151.834  19.815  1.00 17.80           C  
-ATOM  11586  CG  LYS G 204     110.389 151.847  19.022  1.00 18.18           C  
-ATOM  11587  CD  LYS G 204     110.002 153.271  18.645  1.00 19.33           C  
-ATOM  11588  CE  LYS G 204     108.608 153.603  19.134  1.00 18.66           C  
-ATOM  11589  NZ  LYS G 204     108.357 155.073  18.995  1.00 21.91           N  
-ATOM  11590  N   GLY G 205     114.636 150.360  19.199  1.00 18.71           N  
-ATOM  11591  CA  GLY G 205     116.080 150.154  19.356  1.00 19.48           C  
-ATOM  11592  C   GLY G 205     116.929 151.418  19.384  1.00 19.59           C  
-ATOM  11593  O   GLY G 205     116.473 152.468  19.856  1.00 19.48           O  
-TER   11594      GLY G 205                                                      
-ATOM  11595  N   GLU H   0      56.552 125.290  30.329  1.00 20.77           N  
-ATOM  11596  CA  GLU H   0      57.707 125.912  29.607  1.00 21.56           C  
-ATOM  11597  C   GLU H   0      58.034 127.363  29.938  1.00 21.87           C  
-ATOM  11598  O   GLU H   0      57.211 128.263  29.796  1.00 21.99           O  
-ATOM  11599  CB  GLU H   0      57.555 125.811  28.089  1.00 21.36           C  
-ATOM  11600  CG  GLU H   0      58.895 125.898  27.372  1.00 21.84           C  
-ATOM  11601  CD  GLU H   0      58.809 126.537  25.998  1.00 25.17           C  
-ATOM  11602  OE1 GLU H   0      58.417 127.737  25.930  1.00 26.69           O  
-ATOM  11603  OE2 GLU H   0      59.143 125.842  24.990  1.00 25.36           O  
-ATOM  11604  N   PHE H   1      59.279 127.571  30.332  1.00 22.47           N  
-ATOM  11605  CA  PHE H   1      59.808 128.898  30.620  1.00 22.48           C  
-ATOM  11606  C   PHE H   1      60.939 129.149  29.663  1.00 21.73           C  
-ATOM  11607  O   PHE H   1      61.647 128.215  29.296  1.00 22.06           O  
-ATOM  11608  CB  PHE H   1      60.370 128.955  32.035  1.00 22.29           C  
-ATOM  11609  CG  PHE H   1      59.428 128.470  33.082  1.00 24.61           C  
-ATOM  11610  CD1 PHE H   1      58.336 129.258  33.487  1.00 26.39           C  
-ATOM  11611  CD2 PHE H   1      59.618 127.220  33.678  1.00 25.98           C  
-ATOM  11612  CE1 PHE H   1      57.454 128.812  34.483  1.00 28.18           C  
-ATOM  11613  CE2 PHE H   1      58.734 126.750  34.678  1.00 27.09           C  
-ATOM  11614  CZ  PHE H   1      57.648 127.549  35.083  1.00 28.60           C  
-ATOM  11615  N   ASP H   2      61.098 130.392  29.230  1.00 20.78           N  
-ATOM  11616  CA  ASP H   2      62.315 130.767  28.532  1.00 20.08           C  
-ATOM  11617  C   ASP H   2      63.272 131.454  29.516  1.00 19.21           C  
-ATOM  11618  O   ASP H   2      62.912 131.684  30.682  1.00 18.53           O  
-ATOM  11619  CB  ASP H   2      62.045 131.602  27.269  1.00 20.76           C  
-ATOM  11620  CG  ASP H   2      61.478 132.976  27.565  1.00 21.73           C  
-ATOM  11621  OD1 ASP H   2      61.455 133.394  28.730  1.00 22.82           O  
-ATOM  11622  OD2 ASP H   2      61.001 133.704  26.679  1.00 23.86           O  
-ATOM  11623  N   ARG H   3      64.500 131.726  29.073  1.00 18.18           N  
-ATOM  11624  CA  ARG H   3      65.513 132.305  29.951  1.00 17.61           C  
-ATOM  11625  C   ARG H   3      65.011 133.602  30.623  1.00 16.92           C  
-ATOM  11626  O   ARG H   3      65.195 133.809  31.805  1.00 16.96           O  
-ATOM  11627  CB  ARG H   3      66.786 132.566  29.174  1.00 17.65           C  
-ATOM  11628  CG  ARG H   3      67.712 131.400  29.113  1.00 18.56           C  
-ATOM  11629  CD  ARG H   3      68.733 131.469  28.003  1.00 19.27           C  
-ATOM  11630  NE  ARG H   3      69.556 130.277  28.006  1.00 22.12           N  
-ATOM  11631  CZ  ARG H   3      69.412 129.242  27.170  1.00 25.95           C  
-ATOM  11632  NH1 ARG H   3      68.488 129.252  26.199  1.00 27.39           N  
-ATOM  11633  NH2 ARG H   3      70.216 128.194  27.286  1.00 26.32           N  
-ATOM  11634  N   ALA H   4      64.337 134.451  29.856  1.00 16.05           N  
-ATOM  11635  CA  ALA H   4      63.722 135.655  30.386  1.00 15.54           C  
-ATOM  11636  C   ALA H   4      62.784 135.390  31.577  1.00 15.52           C  
-ATOM  11637  O   ALA H   4      62.842 136.105  32.591  1.00 14.53           O  
-ATOM  11638  CB  ALA H   4      63.003 136.411  29.261  1.00 15.33           C  
-ATOM  11639  N   ASP H   5      61.955 134.348  31.464  1.00 15.40           N  
-ATOM  11640  CA  ASP H   5      60.998 134.000  32.530  1.00 16.15           C  
-ATOM  11641  C   ASP H   5      61.730 133.486  33.767  1.00 15.58           C  
-ATOM  11642  O   ASP H   5      61.419 133.873  34.908  1.00 15.59           O  
-ATOM  11643  CB  ASP H   5      60.015 132.930  32.059  1.00 16.83           C  
-ATOM  11644  CG  ASP H   5      59.111 133.395  30.927  1.00 20.53           C  
-ATOM  11645  OD1 ASP H   5      58.809 134.609  30.837  1.00 23.86           O  
-ATOM  11646  OD2 ASP H   5      58.634 132.587  30.076  1.00 25.20           O  
-ATOM  11647  N   ILE H   6      62.723 132.631  33.550  1.00 14.81           N  
-ATOM  11648  CA  ILE H   6      63.479 132.066  34.664  1.00 14.22           C  
-ATOM  11649  C   ILE H   6      64.175 133.176  35.426  1.00 14.21           C  
-ATOM  11650  O   ILE H   6      64.072 133.251  36.656  1.00 12.87           O  
-ATOM  11651  CB  ILE H   6      64.486 130.984  34.185  1.00 14.56           C  
-ATOM  11652  CG1 ILE H   6      63.762 129.799  33.520  1.00 13.43           C  
-ATOM  11653  CG2 ILE H   6      65.331 130.443  35.360  1.00 13.72           C  
-ATOM  11654  CD1 ILE H   6      64.647 129.052  32.557  1.00 12.66           C  
-ATOM  11655  N   LEU H   7      64.853 134.062  34.692  1.00 14.47           N  
-ATOM  11656  CA  LEU H   7      65.575 135.160  35.336  1.00 15.38           C  
-ATOM  11657  C   LEU H   7      64.643 136.155  36.034  1.00 15.12           C  
-ATOM  11658  O   LEU H   7      64.908 136.595  37.142  1.00 14.77           O  
-ATOM  11659  CB  LEU H   7      66.511 135.861  34.333  1.00 16.00           C  
-ATOM  11660  CG  LEU H   7      67.691 134.912  33.973  1.00 17.35           C  
-ATOM  11661  CD1 LEU H   7      68.212 135.197  32.607  1.00 18.77           C  
-ATOM  11662  CD2 LEU H   7      68.785 135.111  35.008  1.00 19.03           C  
-ATOM  11663  N   TYR H   8      63.537 136.482  35.400  1.00 15.41           N  
-ATOM  11664  CA  TYR H   8      62.528 137.331  36.014  1.00 16.66           C  
-ATOM  11665  C   TYR H   8      62.083 136.704  37.349  1.00 16.33           C  
-ATOM  11666  O   TYR H   8      62.074 137.370  38.399  1.00 15.49           O  
-ATOM  11667  CB  TYR H   8      61.337 137.487  35.066  1.00 17.32           C  
-ATOM  11668  CG  TYR H   8      60.189 138.322  35.626  1.00 21.00           C  
-ATOM  11669  CD1 TYR H   8      60.291 139.720  35.723  1.00 24.44           C  
-ATOM  11670  CD2 TYR H   8      59.001 137.723  36.012  1.00 23.09           C  
-ATOM  11671  CE1 TYR H   8      59.231 140.503  36.222  1.00 26.21           C  
-ATOM  11672  CE2 TYR H   8      57.937 138.479  36.504  1.00 25.67           C  
-ATOM  11673  CZ  TYR H   8      58.056 139.869  36.613  1.00 27.09           C  
-ATOM  11674  OH  TYR H   8      56.996 140.594  37.097  1.00 28.38           O  
-ATOM  11675  N   ASN H   9      61.703 135.428  37.294  1.00 15.83           N  
-ATOM  11676  CA  ASN H   9      61.190 134.760  38.475  1.00 16.35           C  
-ATOM  11677  C   ASN H   9      62.212 134.740  39.601  1.00 15.98           C  
-ATOM  11678  O   ASN H   9      61.865 135.011  40.749  1.00 15.70           O  
-ATOM  11679  CB  ASN H   9      60.673 133.360  38.139  1.00 16.35           C  
-ATOM  11680  CG  ASN H   9      59.407 133.409  37.317  1.00 18.08           C  
-ATOM  11681  OD1 ASN H   9      58.790 134.468  37.179  1.00 19.29           O  
-ATOM  11682  ND2 ASN H   9      59.014 132.272  36.763  1.00 17.52           N  
-ATOM  11683  N   ILE H  10      63.476 134.493  39.256  1.00 15.88           N  
-ATOM  11684  CA  ILE H  10      64.552 134.560  40.222  1.00 15.74           C  
-ATOM  11685  C   ILE H  10      64.698 135.991  40.772  1.00 16.54           C  
-ATOM  11686  O   ILE H  10      64.774 136.165  41.988  1.00 15.66           O  
-ATOM  11687  CB  ILE H  10      65.868 134.033  39.636  1.00 16.06           C  
-ATOM  11688  CG1 ILE H  10      65.802 132.494  39.449  1.00 15.32           C  
-ATOM  11689  CG2 ILE H  10      67.049 134.442  40.520  1.00 15.60           C  
-ATOM  11690  CD1 ILE H  10      66.871 131.908  38.544  1.00 13.69           C  
-ATOM  11691  N   ARG H  11      64.726 137.019  39.914  1.00 16.14           N  
-ATOM  11692  CA  ARG H  11      64.915 138.358  40.458  1.00 18.01           C  
-ATOM  11693  C   ARG H  11      63.757 138.704  41.417  1.00 17.88           C  
-ATOM  11694  O   ARG H  11      63.970 139.290  42.466  1.00 18.29           O  
-ATOM  11695  CB  ARG H  11      65.097 139.425  39.363  1.00 18.47           C  
-ATOM  11696  CG  ARG H  11      65.524 140.840  39.915  1.00 25.11           C  
-ATOM  11697  CD  ARG H  11      65.396 142.012  38.902  1.00 32.89           C  
-ATOM  11698  NE  ARG H  11      65.204 141.512  37.531  1.00 37.82           N  
-ATOM  11699  CZ  ARG H  11      64.064 141.595  36.838  1.00 39.70           C  
-ATOM  11700  NH1 ARG H  11      62.989 142.190  37.359  1.00 39.92           N  
-ATOM  11701  NH2 ARG H  11      64.005 141.082  35.615  1.00 38.44           N  
-ATOM  11702  N   GLN H  12      62.539 138.285  41.072  1.00 17.93           N  
-ATOM  11703  CA  GLN H  12      61.363 138.712  41.788  1.00 17.97           C  
-ATOM  11704  C   GLN H  12      61.147 138.008  43.129  1.00 18.53           C  
-ATOM  11705  O   GLN H  12      60.435 138.540  43.963  1.00 18.57           O  
-ATOM  11706  CB  GLN H  12      60.103 138.542  40.893  1.00 18.56           C  
-ATOM  11707  CG  GLN H  12      59.963 139.533  39.755  1.00 17.90           C  
-ATOM  11708  CD  GLN H  12      59.660 140.914  40.269  1.00 24.00           C  
-ATOM  11709  OE1 GLN H  12      58.514 141.211  40.631  1.00 27.78           O  
-ATOM  11710  NE2 GLN H  12      60.678 141.761  40.326  1.00 24.05           N  
-ATOM  11711  N   THR H  13      61.697 136.815  43.332  1.00 18.92           N  
-ATOM  11712  CA  THR H  13      61.432 136.038  44.566  1.00 19.95           C  
-ATOM  11713  C   THR H  13      62.718 135.527  45.231  1.00 22.16           C  
-ATOM  11714  O   THR H  13      62.690 134.658  46.133  1.00 22.47           O  
-ATOM  11715  CB  THR H  13      60.596 134.774  44.291  1.00 19.57           C  
-ATOM  11716  OG1 THR H  13      61.378 133.902  43.493  1.00 17.86           O  
-ATOM  11717  CG2 THR H  13      59.292 135.024  43.471  1.00 14.99           C  
-ATOM  11718  N   SER H  14      63.834 135.987  44.687  1.00 23.83           N  
-ATOM  11719  CA  SER H  14      65.139 135.849  45.269  1.00 25.34           C  
-ATOM  11720  C   SER H  14      65.015 136.594  46.572  1.00 25.95           C  
-ATOM  11721  O   SER H  14      64.369 137.688  46.649  1.00 27.51           O  
-ATOM  11722  CB  SER H  14      66.142 136.638  44.435  1.00 26.62           C  
-ATOM  11723  OG  SER H  14      65.720 138.039  44.404  1.00 26.47           O  
-ATOM  11724  N   ARG H  15      65.615 135.995  47.591  1.00 23.80           N  
-ATOM  11725  CA  ARG H  15      65.768 136.621  48.877  1.00 21.86           C  
-ATOM  11726  C   ARG H  15      67.285 136.524  49.107  1.00 20.56           C  
-ATOM  11727  O   ARG H  15      67.741 135.629  49.795  1.00 18.77           O  
-ATOM  11728  CB  ARG H  15      64.970 135.828  49.930  1.00 22.11           C  
-ATOM  11729  CG  ARG H  15      63.467 135.979  49.807  1.00 20.89           C  
-ATOM  11730  CD  ARG H  15      62.912 137.340  50.256  1.00 25.21           C  
-ATOM  11731  NE  ARG H  15      63.512 137.897  51.490  1.00 27.42           N  
-ATOM  11732  CZ  ARG H  15      63.056 137.689  52.744  1.00 26.62           C  
-ATOM  11733  NH1 ARG H  15      61.986 136.934  52.960  1.00 27.25           N  
-ATOM  11734  NH2 ARG H  15      63.672 138.251  53.785  1.00 24.26           N  
-ATOM  11735  N   PRO H  16      68.041 137.428  48.468  1.00 20.37           N  
-ATOM  11736  CA  PRO H  16      69.504 137.442  48.534  1.00 19.87           C  
-ATOM  11737  C   PRO H  16      70.056 137.545  49.953  1.00 18.73           C  
-ATOM  11738  O   PRO H  16      71.190 137.078  50.171  1.00 19.91           O  
-ATOM  11739  CB  PRO H  16      69.891 138.701  47.705  1.00 20.31           C  
-ATOM  11740  CG  PRO H  16      68.650 139.557  47.658  1.00 20.57           C  
-ATOM  11741  CD  PRO H  16      67.529 138.543  47.633  1.00 20.65           C  
-ATOM  11742  N   ASP H  17      69.310 138.146  50.876  1.00 17.43           N  
-ATOM  11743  CA  ASP H  17      69.753 138.202  52.260  1.00 18.35           C  
-ATOM  11744  C   ASP H  17      69.325 137.046  53.158  1.00 17.71           C  
-ATOM  11745  O   ASP H  17      69.525 137.081  54.372  1.00 17.25           O  
-ATOM  11746  CB  ASP H  17      69.405 139.543  52.887  1.00 19.23           C  
-ATOM  11747  CG  ASP H  17      69.962 140.711  52.061  1.00 22.90           C  
-ATOM  11748  OD1 ASP H  17      71.221 140.792  51.882  1.00 23.13           O  
-ATOM  11749  OD2 ASP H  17      69.197 141.534  51.508  1.00 25.07           O  
-ATOM  11750  N   VAL H  18      68.792 135.991  52.559  1.00 17.08           N  
-ATOM  11751  CA  VAL H  18      68.307 134.870  53.360  1.00 16.85           C  
-ATOM  11752  C   VAL H  18      69.071 133.588  53.074  1.00 16.94           C  
-ATOM  11753  O   VAL H  18      69.002 133.046  51.982  1.00 16.65           O  
-ATOM  11754  CB  VAL H  18      66.815 134.667  53.140  1.00 17.05           C  
-ATOM  11755  CG1 VAL H  18      66.309 133.490  53.964  1.00 16.79           C  
-ATOM  11756  CG2 VAL H  18      66.027 135.953  53.477  1.00 15.48           C  
-ATOM  11757  N   ILE H  19      69.812 133.110  54.058  1.00 17.17           N  
-ATOM  11758  CA  ILE H  19      70.551 131.855  53.915  1.00 17.90           C  
-ATOM  11759  C   ILE H  19      69.555 130.701  53.640  1.00 18.79           C  
-ATOM  11760  O   ILE H  19      68.572 130.538  54.370  1.00 18.27           O  
-ATOM  11761  CB  ILE H  19      71.443 131.606  55.162  1.00 17.70           C  
-ATOM  11762  CG1 ILE H  19      72.210 130.285  55.051  1.00 17.21           C  
-ATOM  11763  CG2 ILE H  19      70.638 131.702  56.468  1.00 16.51           C  
-ATOM  11764  CD1 ILE H  19      73.219 130.088  56.177  1.00 15.84           C  
-ATOM  11765  N   PRO H  20      69.758 129.977  52.542  1.00 19.89           N  
-ATOM  11766  CA  PRO H  20      68.799 128.965  52.088  1.00 20.95           C  
-ATOM  11767  C   PRO H  20      68.893 127.697  52.919  1.00 22.77           C  
-ATOM  11768  O   PRO H  20      69.165 126.612  52.417  1.00 23.02           O  
-ATOM  11769  CB  PRO H  20      69.239 128.697  50.647  1.00 20.75           C  
-ATOM  11770  CG  PRO H  20      70.724 128.920  50.650  1.00 20.50           C  
-ATOM  11771  CD  PRO H  20      70.901 130.104  51.611  1.00 20.37           C  
-ATOM  11772  N   THR H  21      68.681 127.864  54.212  1.00 24.73           N  
-ATOM  11773  CA  THR H  21      68.718 126.798  55.173  1.00 27.47           C  
-ATOM  11774  C   THR H  21      67.482 125.939  54.985  1.00 28.90           C  
-ATOM  11775  O   THR H  21      66.393 126.459  54.696  1.00 29.25           O  
-ATOM  11776  CB  THR H  21      68.781 127.424  56.597  1.00 27.22           C  
-ATOM  11777  OG1 THR H  21      70.082 127.182  57.160  1.00 28.89           O  
-ATOM  11778  CG2 THR H  21      67.827 126.757  57.568  1.00 28.57           C  
-ATOM  11779  N   GLN H  22      67.647 124.629  55.142  1.00 31.26           N  
-ATOM  11780  CA  GLN H  22      66.505 123.698  55.068  1.00 33.35           C  
-ATOM  11781  C   GLN H  22      66.405 122.896  56.370  1.00 33.68           C  
-ATOM  11782  O   GLN H  22      67.366 122.221  56.762  1.00 34.06           O  
-ATOM  11783  CB  GLN H  22      66.607 122.748  53.850  1.00 33.80           C  
-ATOM  11784  CG  GLN H  22      67.099 123.383  52.540  1.00 35.89           C  
-ATOM  11785  CD  GLN H  22      68.379 122.721  51.993  1.00 39.42           C  
-ATOM  11786  OE1 GLN H  22      68.379 121.522  51.675  1.00 39.34           O  
-ATOM  11787  NE2 GLN H  22      69.465 123.509  51.867  1.00 39.51           N  
-ATOM  11788  N   ARG H  23      65.259 123.011  57.043  1.00 34.35           N  
-ATOM  11789  CA  ARG H  23      64.908 122.195  58.215  1.00 35.11           C  
-ATOM  11790  C   ARG H  23      65.972 122.242  59.348  1.00 35.00           C  
-ATOM  11791  O   ARG H  23      66.439 121.197  59.840  1.00 35.21           O  
-ATOM  11792  CB  ARG H  23      64.564 120.751  57.772  1.00 35.69           C  
-ATOM  11793  CG  ARG H  23      63.344 120.635  56.818  1.00 37.08           C  
-ATOM  11794  CD  ARG H  23      63.558 119.748  55.563  1.00 40.24           C  
-ATOM  11795  NE  ARG H  23      63.708 120.520  54.314  1.00 43.23           N  
-ATOM  11796  CZ  ARG H  23      63.787 120.001  53.078  1.00 44.21           C  
-ATOM  11797  NH1 ARG H  23      63.723 118.690  52.873  1.00 44.50           N  
-ATOM  11798  NH2 ARG H  23      63.938 120.808  52.030  1.00 45.62           N  
-ATOM  11799  N   ASP H  24      66.310 123.475  59.757  1.00 34.41           N  
-ATOM  11800  CA  ASP H  24      67.475 123.807  60.610  1.00 33.74           C  
-ATOM  11801  C   ASP H  24      68.689 122.844  60.519  1.00 31.97           C  
-ATOM  11802  O   ASP H  24      69.050 122.132  61.467  1.00 31.70           O  
-ATOM  11803  CB  ASP H  24      67.062 124.196  62.055  1.00 34.28           C  
-ATOM  11804  CG  ASP H  24      66.593 125.685  62.162  1.00 37.20           C  
-ATOM  11805  OD1 ASP H  24      67.460 126.591  62.265  1.00 38.79           O  
-ATOM  11806  OD2 ASP H  24      65.381 126.048  62.137  1.00 38.62           O  
-ATOM  11807  N   ARG H  25      69.289 122.859  59.328  1.00 29.77           N  
-ATOM  11808  CA  ARG H  25      70.467 122.080  58.968  1.00 27.71           C  
-ATOM  11809  C   ARG H  25      71.340 122.885  57.990  1.00 25.22           C  
-ATOM  11810  O   ARG H  25      70.825 123.516  57.066  1.00 25.22           O  
-ATOM  11811  CB  ARG H  25      70.068 120.737  58.351  1.00 28.21           C  
-ATOM  11812  CG  ARG H  25      70.366 119.568  59.246  1.00 30.71           C  
-ATOM  11813  CD  ARG H  25      70.425 118.213  58.529  1.00 33.92           C  
-ATOM  11814  NE  ARG H  25      69.592 117.238  59.230  1.00 35.47           N  
-ATOM  11815  CZ  ARG H  25      70.034 116.098  59.751  1.00 34.00           C  
-ATOM  11816  NH1 ARG H  25      71.310 115.752  59.643  1.00 33.91           N  
-ATOM  11817  NH2 ARG H  25      69.192 115.307  60.379  1.00 31.76           N  
-ATOM  11818  N   PRO H  26      72.657 122.826  58.179  1.00 22.57           N  
-ATOM  11819  CA  PRO H  26      73.568 123.798  57.578  1.00 21.05           C  
-ATOM  11820  C   PRO H  26      73.541 123.737  56.057  1.00 19.76           C  
-ATOM  11821  O   PRO H  26      73.281 122.672  55.488  1.00 19.14           O  
-ATOM  11822  CB  PRO H  26      74.944 123.381  58.119  1.00 20.89           C  
-ATOM  11823  CG  PRO H  26      74.784 121.948  58.512  1.00 21.35           C  
-ATOM  11824  CD  PRO H  26      73.372 121.797  58.955  1.00 22.20           C  
-ATOM  11825  N   VAL H  27      73.745 124.876  55.425  1.00 18.02           N  
-ATOM  11826  CA  VAL H  27      73.944 124.929  53.989  1.00 17.58           C  
-ATOM  11827  C   VAL H  27      75.347 124.394  53.751  1.00 17.02           C  
-ATOM  11828  O   VAL H  27      76.315 124.969  54.260  1.00 17.10           O  
-ATOM  11829  CB  VAL H  27      73.869 126.404  53.463  1.00 17.46           C  
-ATOM  11830  CG1 VAL H  27      74.278 126.501  52.002  1.00 17.24           C  
-ATOM  11831  CG2 VAL H  27      72.473 126.939  53.629  1.00 17.49           C  
-ATOM  11832  N   ALA H  28      75.459 123.325  52.972  1.00 16.04           N  
-ATOM  11833  CA  ALA H  28      76.749 122.764  52.629  1.00 15.64           C  
-ATOM  11834  C   ALA H  28      77.378 123.546  51.510  1.00 15.54           C  
-ATOM  11835  O   ALA H  28      76.826 123.676  50.422  1.00 15.03           O  
-ATOM  11836  CB  ALA H  28      76.621 121.247  52.269  1.00 15.48           C  
-ATOM  11837  N   VAL H  29      78.542 124.096  51.789  1.00 15.23           N  
-ATOM  11838  CA  VAL H  29      79.231 124.898  50.789  1.00 15.94           C  
-ATOM  11839  C   VAL H  29      80.562 124.219  50.459  1.00 16.72           C  
-ATOM  11840  O   VAL H  29      81.298 123.833  51.355  1.00 16.83           O  
-ATOM  11841  CB  VAL H  29      79.479 126.379  51.271  1.00 15.62           C  
-ATOM  11842  CG1 VAL H  29      80.251 127.138  50.242  1.00 14.39           C  
-ATOM  11843  CG2 VAL H  29      78.151 127.105  51.583  1.00 14.93           C  
-ATOM  11844  N   SER H  30      80.844 124.044  49.180  1.00 17.35           N  
-ATOM  11845  CA  SER H  30      82.121 123.516  48.752  1.00 18.64           C  
-ATOM  11846  C   SER H  30      82.969 124.637  48.206  1.00 19.07           C  
-ATOM  11847  O   SER H  30      82.489 125.471  47.436  1.00 19.35           O  
-ATOM  11848  CB  SER H  30      81.968 122.432  47.685  1.00 18.34           C  
-ATOM  11849  OG  SER H  30      81.157 121.366  48.163  1.00 20.92           O  
-ATOM  11850  N   VAL H  31      84.228 124.649  48.625  1.00 19.68           N  
-ATOM  11851  CA  VAL H  31      85.193 125.631  48.185  1.00 20.79           C  
-ATOM  11852  C   VAL H  31      86.439 124.927  47.737  1.00 21.07           C  
-ATOM  11853  O   VAL H  31      86.889 123.963  48.359  1.00 20.70           O  
-ATOM  11854  CB  VAL H  31      85.646 126.631  49.290  1.00 21.17           C  
-ATOM  11855  CG1 VAL H  31      86.137 127.917  48.646  1.00 21.08           C  
-ATOM  11856  CG2 VAL H  31      84.532 126.925  50.263  1.00 22.12           C  
-ATOM  11857  N   SER H  32      87.011 125.463  46.666  1.00 21.36           N  
-ATOM  11858  CA  SER H  32      88.219 124.947  46.100  1.00 22.56           C  
-ATOM  11859  C   SER H  32      88.868 126.112  45.377  1.00 22.38           C  
-ATOM  11860  O   SER H  32      88.183 126.819  44.636  1.00 22.45           O  
-ATOM  11861  CB  SER H  32      87.863 123.824  45.137  1.00 22.49           C  
-ATOM  11862  OG  SER H  32      88.943 123.543  44.288  1.00 27.23           O  
-ATOM  11863  N   LEU H  33      90.171 126.313  45.613  1.00 22.06           N  
-ATOM  11864  CA  LEU H  33      90.941 127.353  44.957  1.00 21.54           C  
-ATOM  11865  C   LEU H  33      91.755 126.751  43.807  1.00 21.41           C  
-ATOM  11866  O   LEU H  33      92.535 125.837  44.008  1.00 21.47           O  
-ATOM  11867  CB  LEU H  33      91.850 128.057  45.974  1.00 21.10           C  
-ATOM  11868  CG  LEU H  33      91.256 128.609  47.283  1.00 21.11           C  
-ATOM  11869  CD1 LEU H  33      92.278 129.496  48.010  1.00 19.20           C  
-ATOM  11870  CD2 LEU H  33      89.998 129.418  47.027  1.00 20.60           C  
-ATOM  11871  N   LYS H  34      91.552 127.258  42.601  1.00 20.94           N  
-ATOM  11872  CA  LYS H  34      92.391 126.921  41.476  1.00 20.15           C  
-ATOM  11873  C   LYS H  34      93.375 128.055  41.241  1.00 19.58           C  
-ATOM  11874  O   LYS H  34      92.997 129.150  40.778  1.00 19.21           O  
-ATOM  11875  CB  LYS H  34      91.558 126.725  40.219  1.00 20.97           C  
-ATOM  11876  CG  LYS H  34      90.259 125.941  40.413  1.00 23.41           C  
-ATOM  11877  CD  LYS H  34      90.513 124.452  40.530  1.00 27.48           C  
-ATOM  11878  CE  LYS H  34      89.244 123.722  41.025  1.00 30.65           C  
-ATOM  11879  NZ  LYS H  34      89.533 122.316  41.466  1.00 33.65           N  
-ATOM  11880  N   PHE H  35      94.640 127.785  41.529  1.00 18.12           N  
-ATOM  11881  CA  PHE H  35      95.667 128.797  41.417  1.00 17.22           C  
-ATOM  11882  C   PHE H  35      96.058 129.098  39.976  1.00 16.55           C  
-ATOM  11883  O   PHE H  35      96.348 128.199  39.194  1.00 16.49           O  
-ATOM  11884  CB  PHE H  35      96.858 128.443  42.312  1.00 17.04           C  
-ATOM  11885  CG  PHE H  35      96.525 128.496  43.789  1.00 17.24           C  
-ATOM  11886  CD1 PHE H  35      96.505 129.708  44.465  1.00 17.75           C  
-ATOM  11887  CD2 PHE H  35      96.200 127.332  44.486  1.00 18.07           C  
-ATOM  11888  CE1 PHE H  35      96.189 129.757  45.840  1.00 18.97           C  
-ATOM  11889  CE2 PHE H  35      95.886 127.367  45.843  1.00 17.70           C  
-ATOM  11890  CZ  PHE H  35      95.878 128.559  46.518  1.00 17.98           C  
-ATOM  11891  N   ILE H  36      96.039 130.376  39.629  1.00 15.99           N  
-ATOM  11892  CA  ILE H  36      96.337 130.819  38.274  1.00 15.81           C  
-ATOM  11893  C   ILE H  36      97.726 131.469  38.199  1.00 16.20           C  
-ATOM  11894  O   ILE H  36      98.465 131.262  37.238  1.00 15.73           O  
-ATOM  11895  CB  ILE H  36      95.228 131.781  37.752  1.00 15.98           C  
-ATOM  11896  CG1 ILE H  36      93.831 131.224  38.093  1.00 15.39           C  
-ATOM  11897  CG2 ILE H  36      95.403 132.086  36.239  1.00 14.38           C  
-ATOM  11898  CD1 ILE H  36      93.571 129.868  37.411  1.00 13.58           C  
-ATOM  11899  N   ASN H  37      98.080 132.218  39.236  1.00 16.65           N  
-ATOM  11900  CA  ASN H  37      99.333 132.933  39.270  1.00 17.80           C  
-ATOM  11901  C   ASN H  37      99.783 133.272  40.670  1.00 18.50           C  
-ATOM  11902  O   ASN H  37      98.971 133.370  41.594  1.00 18.75           O  
-ATOM  11903  CB  ASN H  37      99.291 134.200  38.419  1.00 17.57           C  
-ATOM  11904  CG  ASN H  37     100.495 134.304  37.500  1.00 19.49           C  
-ATOM  11905  OD1 ASN H  37     101.650 134.182  37.941  1.00 19.02           O  
-ATOM  11906  ND2 ASN H  37     100.233 134.502  36.216  1.00 16.51           N  
-ATOM  11907  N   ILE H  38     101.094 133.410  40.819  1.00 18.79           N  
-ATOM  11908  CA  ILE H  38     101.680 133.954  42.017  1.00 19.49           C  
-ATOM  11909  C   ILE H  38     102.523 135.121  41.519  1.00 20.00           C  
-ATOM  11910  O   ILE H  38     103.490 134.920  40.787  1.00 20.07           O  
-ATOM  11911  CB  ILE H  38     102.533 132.888  42.740  1.00 19.50           C  
-ATOM  11912  CG1 ILE H  38     101.648 131.740  43.221  1.00 19.50           C  
-ATOM  11913  CG2 ILE H  38     103.229 133.499  43.937  1.00 19.37           C  
-ATOM  11914  CD1 ILE H  38     102.344 130.432  43.339  1.00 19.77           C  
-ATOM  11915  N   LEU H  39     102.132 136.331  41.907  1.00 21.01           N  
-ATOM  11916  CA  LEU H  39     102.609 137.553  41.280  1.00 21.70           C  
-ATOM  11917  C   LEU H  39     103.746 138.186  42.030  1.00 22.42           C  
-ATOM  11918  O   LEU H  39     104.624 138.843  41.425  1.00 23.19           O  
-ATOM  11919  CB  LEU H  39     101.471 138.571  41.167  1.00 21.78           C  
-ATOM  11920  CG  LEU H  39     100.297 138.016  40.370  1.00 22.94           C  
-ATOM  11921  CD1 LEU H  39      99.145 138.937  40.432  1.00 23.57           C  
-ATOM  11922  CD2 LEU H  39     100.736 137.742  38.926  1.00 22.94           C  
-ATOM  11923  N   GLU H  40     103.714 138.040  43.344  1.00 22.42           N  
-ATOM  11924  CA  GLU H  40     104.717 138.655  44.184  1.00 23.04           C  
-ATOM  11925  C   GLU H  40     104.846 137.877  45.466  1.00 22.10           C  
-ATOM  11926  O   GLU H  40     103.858 137.449  46.042  1.00 22.32           O  
-ATOM  11927  CB  GLU H  40     104.359 140.112  44.483  1.00 23.39           C  
-ATOM  11928  CG  GLU H  40     105.451 140.839  45.245  1.00 27.45           C  
-ATOM  11929  CD  GLU H  40     105.115 142.296  45.531  1.00 32.49           C  
-ATOM  11930  OE1 GLU H  40     103.913 142.609  45.831  1.00 33.30           O  
-ATOM  11931  OE2 GLU H  40     106.073 143.113  45.453  1.00 34.01           O  
-ATOM  11932  N   VAL H  41     106.083 137.688  45.889  1.00 21.21           N  
-ATOM  11933  CA  VAL H  41     106.387 136.915  47.070  1.00 20.63           C  
-ATOM  11934  C   VAL H  41     107.443 137.702  47.832  1.00 20.30           C  
-ATOM  11935  O   VAL H  41     108.356 138.256  47.229  1.00 19.51           O  
-ATOM  11936  CB  VAL H  41     106.865 135.507  46.644  1.00 20.86           C  
-ATOM  11937  CG1 VAL H  41     107.837 134.937  47.623  1.00 20.94           C  
-ATOM  11938  CG2 VAL H  41     105.695 134.564  46.460  1.00 20.31           C  
-ATOM  11939  N   ASN H  42     107.297 137.791  49.147  1.00 20.13           N  
-ATOM  11940  CA  ASN H  42     108.267 138.511  49.957  1.00 20.40           C  
-ATOM  11941  C   ASN H  42     108.629 137.663  51.158  1.00 20.61           C  
-ATOM  11942  O   ASN H  42     107.817 137.441  52.053  1.00 20.22           O  
-ATOM  11943  CB  ASN H  42     107.724 139.885  50.359  1.00 20.48           C  
-ATOM  11944  CG  ASN H  42     108.777 140.794  51.001  1.00 20.76           C  
-ATOM  11945  OD1 ASN H  42     109.658 140.345  51.756  1.00 21.24           O  
-ATOM  11946  ND2 ASN H  42     108.658 142.092  50.732  1.00 19.39           N  
-ATOM  11947  N   GLU H  43     109.856 137.164  51.156  1.00 21.17           N  
-ATOM  11948  CA  GLU H  43     110.296 136.250  52.189  1.00 21.80           C  
-ATOM  11949  C   GLU H  43     110.603 136.979  53.493  1.00 21.84           C  
-ATOM  11950  O   GLU H  43     110.533 136.378  54.570  1.00 21.63           O  
-ATOM  11951  CB  GLU H  43     111.494 135.415  51.709  1.00 22.45           C  
-ATOM  11952  CG  GLU H  43     111.522 133.979  52.256  1.00 24.46           C  
-ATOM  11953  CD  GLU H  43     112.729 133.151  51.801  1.00 27.50           C  
-ATOM  11954  OE1 GLU H  43     113.184 133.312  50.631  1.00 28.83           O  
-ATOM  11955  OE2 GLU H  43     113.226 132.336  52.629  1.00 27.70           O  
-ATOM  11956  N   ILE H  44     110.929 138.272  53.399  1.00 21.83           N  
-ATOM  11957  CA  ILE H  44     111.169 139.091  54.597  1.00 21.91           C  
-ATOM  11958  C   ILE H  44     109.854 139.335  55.335  1.00 21.50           C  
-ATOM  11959  O   ILE H  44     109.759 139.052  56.531  1.00 21.44           O  
-ATOM  11960  CB  ILE H  44     111.894 140.436  54.253  1.00 22.30           C  
-ATOM  11961  CG1 ILE H  44     113.186 140.193  53.464  1.00 22.87           C  
-ATOM  11962  CG2 ILE H  44     112.188 141.278  55.530  1.00 22.45           C  
-ATOM  11963  CD1 ILE H  44     114.228 139.344  54.192  1.00 24.12           C  
-ATOM  11964  N   THR H  45     108.836 139.813  54.611  1.00 20.68           N  
-ATOM  11965  CA  THR H  45     107.574 140.170  55.241  1.00 20.25           C  
-ATOM  11966  C   THR H  45     106.591 139.012  55.385  1.00 19.73           C  
-ATOM  11967  O   THR H  45     105.608 139.156  56.087  1.00 19.57           O  
-ATOM  11968  CB  THR H  45     106.881 141.351  54.513  1.00 20.45           C  
-ATOM  11969  OG1 THR H  45     106.558 140.968  53.164  1.00 20.58           O  
-ATOM  11970  CG2 THR H  45     107.822 142.542  54.371  1.00 20.10           C  
-ATOM  11971  N   ASN H  46     106.878 137.873  54.744  1.00 19.29           N  
-ATOM  11972  CA  ASN H  46     105.965 136.712  54.703  1.00 18.65           C  
-ATOM  11973  C   ASN H  46     104.610 137.077  54.095  1.00 18.50           C  
-ATOM  11974  O   ASN H  46     103.567 136.898  54.705  1.00 18.13           O  
-ATOM  11975  CB  ASN H  46     105.789 136.087  56.096  1.00 18.17           C  
-ATOM  11976  CG  ASN H  46     106.795 134.942  56.374  1.00 18.28           C  
-ATOM  11977  OD1 ASN H  46     107.216 134.205  55.461  1.00 17.21           O  
-ATOM  11978  ND2 ASN H  46     107.164 134.785  57.635  1.00 15.11           N  
-ATOM  11979  N   GLU H  47     104.651 137.613  52.883  1.00 18.90           N  
-ATOM  11980  CA  GLU H  47     103.468 138.085  52.195  1.00 19.27           C  
-ATOM  11981  C   GLU H  47     103.526 137.573  50.769  1.00 19.25           C  
-ATOM  11982  O   GLU H  47     104.601 137.492  50.190  1.00 19.11           O  
-ATOM  11983  CB  GLU H  47     103.409 139.621  52.237  1.00 19.52           C  
-ATOM  11984  CG  GLU H  47     103.051 140.225  53.616  1.00 21.53           C  
-ATOM  11985  CD  GLU H  47     103.161 141.756  53.671  1.00 25.84           C  
-ATOM  11986  OE1 GLU H  47     102.927 142.416  52.629  1.00 28.06           O  
-ATOM  11987  OE2 GLU H  47     103.471 142.320  54.762  1.00 27.98           O  
-ATOM  11988  N   VAL H  48     102.368 137.241  50.207  1.00 19.24           N  
-ATOM  11989  CA  VAL H  48     102.251 136.748  48.839  1.00 19.81           C  
-ATOM  11990  C   VAL H  48     101.050 137.369  48.163  1.00 20.03           C  
-ATOM  11991  O   VAL H  48     100.048 137.636  48.808  1.00 19.77           O  
-ATOM  11992  CB  VAL H  48     102.132 135.178  48.740  1.00 19.81           C  
-ATOM  11993  CG1 VAL H  48     103.295 134.503  49.381  1.00 20.51           C  
-ATOM  11994  CG2 VAL H  48     100.859 134.658  49.389  1.00 20.62           C  
-ATOM  11995  N   ASP H  49     101.171 137.594  46.858  1.00 20.25           N  
-ATOM  11996  CA  ASP H  49     100.146 138.180  46.029  1.00 21.03           C  
-ATOM  11997  C   ASP H  49      99.765 137.075  45.038  1.00 20.76           C  
-ATOM  11998  O   ASP H  49     100.621 136.595  44.286  1.00 20.18           O  
-ATOM  11999  CB  ASP H  49     100.727 139.398  45.294  1.00 21.92           C  
-ATOM  12000  CG  ASP H  49      99.669 140.346  44.780  1.00 24.82           C  
-ATOM  12001  OD1 ASP H  49      98.477 139.995  44.775  1.00 28.67           O  
-ATOM  12002  OD2 ASP H  49      99.928 141.482  44.357  1.00 28.67           O  
-ATOM  12003  N   VAL H  50      98.499 136.665  45.045  1.00 20.03           N  
-ATOM  12004  CA  VAL H  50      98.069 135.512  44.287  1.00 20.15           C  
-ATOM  12005  C   VAL H  50      96.775 135.748  43.503  1.00 19.34           C  
-ATOM  12006  O   VAL H  50      95.896 136.523  43.932  1.00 18.51           O  
-ATOM  12007  CB  VAL H  50      97.837 134.300  45.227  1.00 20.76           C  
-ATOM  12008  CG1 VAL H  50      97.435 133.083  44.416  1.00 22.40           C  
-ATOM  12009  CG2 VAL H  50      99.088 133.979  46.001  1.00 22.01           C  
-ATOM  12010  N   VAL H  51      96.668 135.060  42.361  1.00 18.06           N  
-ATOM  12011  CA  VAL H  51      95.429 135.038  41.583  1.00 17.10           C  
-ATOM  12012  C   VAL H  51      94.914 133.602  41.528  1.00 16.69           C  
-ATOM  12013  O   VAL H  51      95.649 132.663  41.166  1.00 16.09           O  
-ATOM  12014  CB  VAL H  51      95.611 135.551  40.148  1.00 17.29           C  
-ATOM  12015  CG1 VAL H  51      94.276 135.508  39.356  1.00 16.83           C  
-ATOM  12016  CG2 VAL H  51      96.192 136.909  40.129  1.00 16.60           C  
-ATOM  12017  N   PHE H  52      93.657 133.430  41.906  1.00 15.80           N  
-ATOM  12018  CA  PHE H  52      93.064 132.103  41.886  1.00 15.11           C  
-ATOM  12019  C   PHE H  52      91.566 132.188  41.570  1.00 15.65           C  
-ATOM  12020  O   PHE H  52      90.924 133.206  41.839  1.00 14.92           O  
-ATOM  12021  CB  PHE H  52      93.307 131.419  43.244  1.00 14.41           C  
-ATOM  12022  CG  PHE H  52      92.715 132.179  44.406  1.00 11.88           C  
-ATOM  12023  CD1 PHE H  52      93.513 132.984  45.206  1.00 14.11           C  
-ATOM  12024  CD2 PHE H  52      91.365 132.088  44.688  1.00 11.17           C  
-ATOM  12025  CE1 PHE H  52      92.953 133.745  46.274  1.00 17.89           C  
-ATOM  12026  CE2 PHE H  52      90.769 132.835  45.741  1.00 15.41           C  
-ATOM  12027  CZ  PHE H  52      91.572 133.656  46.554  1.00 12.02           C  
-ATOM  12028  N   TRP H  53      91.022 131.110  41.004  1.00 16.17           N  
-ATOM  12029  CA  TRP H  53      89.590 130.973  40.807  1.00 16.89           C  
-ATOM  12030  C   TRP H  53      88.999 130.343  42.056  1.00 17.68           C  
-ATOM  12031  O   TRP H  53      89.432 129.255  42.491  1.00 17.55           O  
-ATOM  12032  CB  TRP H  53      89.288 130.103  39.588  1.00 16.31           C  
-ATOM  12033  CG  TRP H  53      89.844 130.620  38.319  1.00 16.05           C  
-ATOM  12034  CD1 TRP H  53      90.338 131.872  38.080  1.00 16.26           C  
-ATOM  12035  CD2 TRP H  53      89.982 129.894  37.088  1.00 16.22           C  
-ATOM  12036  NE1 TRP H  53      90.779 131.967  36.780  1.00 16.84           N  
-ATOM  12037  CE2 TRP H  53      90.559 130.772  36.144  1.00 16.56           C  
-ATOM  12038  CE3 TRP H  53      89.669 128.589  36.685  1.00 17.94           C  
-ATOM  12039  CZ2 TRP H  53      90.822 130.394  34.827  1.00 18.58           C  
-ATOM  12040  CZ3 TRP H  53      89.940 128.209  35.359  1.00 19.43           C  
-ATOM  12041  CH2 TRP H  53      90.511 129.109  34.452  1.00 19.05           C  
-ATOM  12042  N   GLN H  54      88.049 131.042  42.675  1.00 18.37           N  
-ATOM  12043  CA  GLN H  54      87.480 130.521  43.917  1.00 19.58           C  
-ATOM  12044  C   GLN H  54      86.202 129.749  43.618  1.00 18.96           C  
-ATOM  12045  O   GLN H  54      85.113 130.303  43.624  1.00 18.96           O  
-ATOM  12046  CB  GLN H  54      87.260 131.656  44.932  1.00 19.59           C  
-ATOM  12047  CG  GLN H  54      86.768 131.184  46.324  1.00 22.71           C  
-ATOM  12048  CD  GLN H  54      86.769 132.312  47.358  1.00 27.61           C  
-ATOM  12049  OE1 GLN H  54      87.831 132.807  47.750  1.00 29.06           O  
-ATOM  12050  NE2 GLN H  54      85.587 132.727  47.780  1.00 29.02           N  
-ATOM  12051  N   GLN H  55      86.354 128.469  43.316  1.00 19.19           N  
-ATOM  12052  CA  GLN H  55      85.217 127.631  42.937  1.00 19.49           C  
-ATOM  12053  C   GLN H  55      84.305 127.374  44.139  1.00 19.56           C  
-ATOM  12054  O   GLN H  55      84.692 126.737  45.097  1.00 19.53           O  
-ATOM  12055  CB  GLN H  55      85.690 126.325  42.311  1.00 19.50           C  
-ATOM  12056  CG  GLN H  55      84.533 125.421  41.871  1.00 22.00           C  
-ATOM  12057  CD  GLN H  55      84.992 124.080  41.302  1.00 26.29           C  
-ATOM  12058  OE1 GLN H  55      86.142 123.920  40.893  1.00 28.29           O  
-ATOM  12059  NE2 GLN H  55      84.086 123.136  41.250  1.00 26.85           N  
-ATOM  12060  N   THR H  56      83.089 127.892  44.087  1.00 19.36           N  
-ATOM  12061  CA  THR H  56      82.184 127.859  45.218  1.00 19.53           C  
-ATOM  12062  C   THR H  56      80.855 127.318  44.775  1.00 19.19           C  
-ATOM  12063  O   THR H  56      80.244 127.782  43.814  1.00 19.36           O  
-ATOM  12064  CB  THR H  56      81.977 129.287  45.773  1.00 20.02           C  
-ATOM  12065  OG1 THR H  56      83.226 129.979  45.709  1.00 22.22           O  
-ATOM  12066  CG2 THR H  56      81.682 129.264  47.244  1.00 19.37           C  
-ATOM  12067  N   THR H  57      80.374 126.372  45.543  1.00 19.07           N  
-ATOM  12068  CA  THR H  57      79.239 125.564  45.149  1.00 19.13           C  
-ATOM  12069  C   THR H  57      78.360 125.366  46.353  1.00 18.34           C  
-ATOM  12070  O   THR H  57      78.866 125.184  47.470  1.00 17.79           O  
-ATOM  12071  CB  THR H  57      79.813 124.232  44.605  1.00 19.96           C  
-ATOM  12072  OG1 THR H  57      79.652 124.209  43.182  1.00 22.26           O  
-ATOM  12073  CG2 THR H  57      79.103 123.028  45.116  1.00 21.09           C  
-ATOM  12074  N   TRP H  58      77.054 125.451  46.131  1.00 17.29           N  
-ATOM  12075  CA  TRP H  58      76.045 125.215  47.160  1.00 17.20           C  
-ATOM  12076  C   TRP H  58      74.676 125.082  46.528  1.00 17.04           C  
-ATOM  12077  O   TRP H  58      74.472 125.352  45.351  1.00 17.33           O  
-ATOM  12078  CB  TRP H  58      76.008 126.339  48.212  1.00 16.36           C  
-ATOM  12079  CG  TRP H  58      75.440 127.617  47.665  1.00 16.12           C  
-ATOM  12080  CD1 TRP H  58      74.152 128.030  47.727  1.00 16.27           C  
-ATOM  12081  CD2 TRP H  58      76.157 128.623  46.963  1.00 14.67           C  
-ATOM  12082  NE1 TRP H  58      74.009 129.243  47.101  1.00 15.26           N  
-ATOM  12083  CE2 TRP H  58      75.234 129.635  46.619  1.00 13.99           C  
-ATOM  12084  CE3 TRP H  58      77.494 128.768  46.560  1.00 13.88           C  
-ATOM  12085  CZ2 TRP H  58      75.602 130.790  45.910  1.00 13.78           C  
-ATOM  12086  CZ3 TRP H  58      77.862 129.900  45.854  1.00 14.05           C  
-ATOM  12087  CH2 TRP H  58      76.910 130.908  45.532  1.00 15.13           C  
-ATOM  12088  N   SER H  59      73.725 124.720  47.348  1.00 17.50           N  
-ATOM  12089  CA  SER H  59      72.389 124.456  46.876  1.00 18.92           C  
-ATOM  12090  C   SER H  59      71.403 125.437  47.497  1.00 18.65           C  
-ATOM  12091  O   SER H  59      71.473 125.729  48.696  1.00 18.05           O  
-ATOM  12092  CB  SER H  59      71.988 123.042  47.233  1.00 18.59           C  
-ATOM  12093  OG  SER H  59      70.586 123.076  47.396  1.00 22.41           O  
-ATOM  12094  N   ASP H  60      70.489 125.938  46.674  1.00 19.15           N  
-ATOM  12095  CA  ASP H  60      69.443 126.854  47.140  1.00 19.48           C  
-ATOM  12096  C   ASP H  60      68.156 126.487  46.439  1.00 19.24           C  
-ATOM  12097  O   ASP H  60      67.941 126.865  45.298  1.00 18.49           O  
-ATOM  12098  CB  ASP H  60      69.834 128.318  46.852  1.00 19.67           C  
-ATOM  12099  CG  ASP H  60      68.819 129.342  47.416  1.00 21.87           C  
-ATOM  12100  OD1 ASP H  60      67.640 128.976  47.729  1.00 21.48           O  
-ATOM  12101  OD2 ASP H  60      69.134 130.552  47.580  1.00 23.86           O  
-ATOM  12102  N   ARG H  61      67.317 125.716  47.128  1.00 20.72           N  
-ATOM  12103  CA  ARG H  61      66.140 125.131  46.474  1.00 21.76           C  
-ATOM  12104  C   ARG H  61      65.015 126.131  46.134  1.00 20.94           C  
-ATOM  12105  O   ARG H  61      64.192 125.838  45.269  1.00 20.80           O  
-ATOM  12106  CB  ARG H  61      65.652 123.867  47.206  1.00 23.69           C  
-ATOM  12107  CG  ARG H  61      66.527 122.608  46.891  1.00 26.86           C  
-ATOM  12108  CD  ARG H  61      66.431 121.470  47.883  1.00 35.24           C  
-ATOM  12109  NE  ARG H  61      67.716 121.238  48.551  1.00 41.40           N  
-ATOM  12110  CZ  ARG H  61      68.251 120.046  48.823  1.00 43.42           C  
-ATOM  12111  NH1 ARG H  61      67.632 118.922  48.471  1.00 44.65           N  
-ATOM  12112  NH2 ARG H  61      69.426 119.983  49.449  1.00 44.59           N  
-ATOM  12113  N   THR H  62      65.029 127.313  46.765  1.00 20.62           N  
-ATOM  12114  CA  THR H  62      64.144 128.435  46.396  1.00 20.96           C  
-ATOM  12115  C   THR H  62      64.401 128.939  44.975  1.00 20.39           C  
-ATOM  12116  O   THR H  62      63.573 129.639  44.410  1.00 20.36           O  
-ATOM  12117  CB  THR H  62      64.213 129.647  47.399  1.00 20.95           C  
-ATOM  12118  OG1 THR H  62      65.509 130.236  47.355  1.00 22.41           O  
-ATOM  12119  CG2 THR H  62      64.062 129.203  48.877  1.00 21.90           C  
-ATOM  12120  N   LEU H  63      65.545 128.603  44.399  1.00 19.59           N  
-ATOM  12121  CA  LEU H  63      65.823 129.027  43.031  1.00 19.40           C  
-ATOM  12122  C   LEU H  63      65.298 128.011  41.995  1.00 19.38           C  
-ATOM  12123  O   LEU H  63      65.243 128.304  40.789  1.00 19.41           O  
-ATOM  12124  CB  LEU H  63      67.308 129.209  42.823  1.00 18.87           C  
-ATOM  12125  CG  LEU H  63      68.089 130.157  43.731  1.00 20.35           C  
-ATOM  12126  CD1 LEU H  63      69.593 129.989  43.439  1.00 18.69           C  
-ATOM  12127  CD2 LEU H  63      67.644 131.628  43.537  1.00 19.20           C  
-ATOM  12128  N   ALA H  64      64.954 126.814  42.461  1.00 18.74           N  
-ATOM  12129  CA  ALA H  64      64.588 125.719  41.567  1.00 18.69           C  
-ATOM  12130  C   ALA H  64      63.384 126.029  40.694  1.00 18.49           C  
-ATOM  12131  O   ALA H  64      62.451 126.669  41.131  1.00 18.89           O  
-ATOM  12132  CB  ALA H  64      64.322 124.462  42.356  1.00 18.59           C  
-ATOM  12133  N   TRP H  65      63.412 125.558  39.457  1.00 18.65           N  
-ATOM  12134  CA  TRP H  65      62.252 125.602  38.573  1.00 18.38           C  
-ATOM  12135  C   TRP H  65      62.139 124.281  37.792  1.00 18.89           C  
-ATOM  12136  O   TRP H  65      63.114 123.540  37.687  1.00 18.57           O  
-ATOM  12137  CB  TRP H  65      62.383 126.773  37.609  1.00 17.60           C  
-ATOM  12138  CG  TRP H  65      63.484 126.620  36.574  1.00 16.26           C  
-ATOM  12139  CD1 TRP H  65      63.364 126.075  35.298  1.00 14.92           C  
-ATOM  12140  CD2 TRP H  65      64.870 126.996  36.710  1.00 13.72           C  
-ATOM  12141  NE1 TRP H  65      64.575 126.139  34.646  1.00 13.39           N  
-ATOM  12142  CE2 TRP H  65      65.517 126.687  35.488  1.00 12.50           C  
-ATOM  12143  CE3 TRP H  65      65.632 127.580  37.740  1.00 12.75           C  
-ATOM  12144  CZ2 TRP H  65      66.889 126.922  35.278  1.00 11.47           C  
-ATOM  12145  CZ3 TRP H  65      67.000 127.806  37.526  1.00 12.16           C  
-ATOM  12146  CH2 TRP H  65      67.607 127.474  36.311  1.00 11.64           C  
-ATOM  12147  N   ASN H  66      60.948 124.009  37.255  1.00 19.41           N  
-ATOM  12148  CA  ASN H  66      60.683 122.815  36.472  1.00 20.28           C  
-ATOM  12149  C   ASN H  66      61.244 122.990  35.064  1.00 20.02           C  
-ATOM  12150  O   ASN H  66      60.720 123.785  34.285  1.00 20.45           O  
-ATOM  12151  CB  ASN H  66      59.166 122.577  36.413  1.00 21.00           C  
-ATOM  12152  CG  ASN H  66      58.795 121.249  35.775  1.00 22.72           C  
-ATOM  12153  OD1 ASN H  66      59.499 120.734  34.890  1.00 23.29           O  
-ATOM  12154  ND2 ASN H  66      57.675 120.677  36.224  1.00 25.13           N  
-ATOM  12155  N   SER H  67      62.297 122.242  34.733  1.00 17.93           N  
-ATOM  12156  CA  SER H  67      62.994 122.378  33.454  1.00 16.39           C  
-ATOM  12157  C   SER H  67      62.768 121.259  32.420  1.00 16.90           C  
-ATOM  12158  O   SER H  67      63.608 121.078  31.505  1.00 14.62           O  
-ATOM  12159  CB  SER H  67      64.502 122.577  33.681  1.00 16.88           C  
-ATOM  12160  OG  SER H  67      65.192 121.362  33.966  1.00 13.84           O  
-ATOM  12161  N   SER H  68      61.642 120.532  32.531  1.00 17.08           N  
-ATOM  12162  CA  SER H  68      61.367 119.477  31.553  1.00 18.41           C  
-ATOM  12163  C   SER H  68      61.291 119.988  30.097  1.00 18.13           C  
-ATOM  12164  O   SER H  68      61.722 119.307  29.197  1.00 17.65           O  
-ATOM  12165  CB  SER H  68      60.154 118.609  31.933  1.00 18.89           C  
-ATOM  12166  OG  SER H  68      58.969 119.394  32.041  1.00 21.54           O  
-ATOM  12167  N   HIS H  69      60.794 121.204  29.873  1.00 19.44           N  
-ATOM  12168  CA  HIS H  69      60.792 121.796  28.529  1.00 19.92           C  
-ATOM  12169  C   HIS H  69      61.422 123.196  28.518  1.00 21.13           C  
-ATOM  12170  O   HIS H  69      61.180 124.016  27.624  1.00 21.31           O  
-ATOM  12171  CB  HIS H  69      59.378 121.845  28.004  1.00 19.77           C  
-ATOM  12172  CG  HIS H  69      58.664 120.546  28.136  1.00 20.57           C  
-ATOM  12173  ND1 HIS H  69      58.944 119.464  27.329  1.00 20.44           N  
-ATOM  12174  CD2 HIS H  69      57.730 120.131  29.020  1.00 21.24           C  
-ATOM  12175  CE1 HIS H  69      58.181 118.447  27.684  1.00 22.82           C  
-ATOM  12176  NE2 HIS H  69      57.441 118.822  28.712  1.00 23.44           N  
-ATOM  12177  N   SER H  70      62.250 123.451  29.512  1.00 21.87           N  
-ATOM  12178  CA  SER H  70      62.881 124.740  29.645  1.00 21.76           C  
-ATOM  12179  C   SER H  70      64.390 124.568  29.739  1.00 21.54           C  
-ATOM  12180  O   SER H  70      64.877 123.483  30.028  1.00 21.39           O  
-ATOM  12181  CB  SER H  70      62.344 125.445  30.902  1.00 21.89           C  
-ATOM  12182  OG  SER H  70      60.923 125.549  30.884  1.00 22.31           O  
-ATOM  12183  N   PRO H  71      65.143 125.638  29.490  1.00 21.42           N  
-ATOM  12184  CA  PRO H  71      66.588 125.641  29.782  1.00 21.13           C  
-ATOM  12185  C   PRO H  71      66.831 125.220  31.221  1.00 20.74           C  
-ATOM  12186  O   PRO H  71      66.080 125.574  32.136  1.00 20.23           O  
-ATOM  12187  CB  PRO H  71      66.975 127.094  29.603  1.00 21.02           C  
-ATOM  12188  CG  PRO H  71      65.980 127.609  28.610  1.00 21.51           C  
-ATOM  12189  CD  PRO H  71      64.697 126.906  28.887  1.00 21.41           C  
-ATOM  12190  N   ASP H  72      67.850 124.415  31.432  1.00 20.65           N  
-ATOM  12191  CA  ASP H  72      68.030 123.885  32.771  1.00 21.38           C  
-ATOM  12192  C   ASP H  72      69.150 124.575  33.562  1.00 19.93           C  
-ATOM  12193  O   ASP H  72      69.418 124.191  34.700  1.00 19.71           O  
-ATOM  12194  CB  ASP H  72      68.198 122.361  32.739  1.00 22.19           C  
-ATOM  12195  CG  ASP H  72      69.594 121.961  32.427  1.00 26.28           C  
-ATOM  12196  OD1 ASP H  72      70.151 122.576  31.490  1.00 29.96           O  
-ATOM  12197  OD2 ASP H  72      70.227 121.074  33.068  1.00 31.65           O  
-ATOM  12198  N   GLN H  73      69.779 125.588  32.952  1.00 18.54           N  
-ATOM  12199  CA  GLN H  73      70.747 126.467  33.638  1.00 17.19           C  
-ATOM  12200  C   GLN H  73      70.668 127.896  33.124  1.00 16.22           C  
-ATOM  12201  O   GLN H  73      70.387 128.132  31.947  1.00 15.36           O  
-ATOM  12202  CB  GLN H  73      72.182 126.032  33.397  1.00 17.45           C  
-ATOM  12203  CG  GLN H  73      72.603 124.743  34.042  1.00 20.59           C  
-ATOM  12204  CD  GLN H  73      74.097 124.470  33.871  1.00 22.92           C  
-ATOM  12205  OE1 GLN H  73      74.936 125.416  33.954  1.00 24.00           O  
-ATOM  12206  NE2 GLN H  73      74.448 123.207  33.637  1.00 19.88           N  
-ATOM  12207  N   VAL H  74      70.969 128.848  34.005  1.00 14.78           N  
-ATOM  12208  CA  VAL H  74      71.114 130.227  33.602  1.00 14.17           C  
-ATOM  12209  C   VAL H  74      72.260 130.917  34.349  1.00 14.52           C  
-ATOM  12210  O   VAL H  74      72.675 130.446  35.405  1.00 14.10           O  
-ATOM  12211  CB  VAL H  74      69.816 131.047  33.858  1.00 14.06           C  
-ATOM  12212  CG1 VAL H  74      68.696 130.627  32.906  1.00 13.21           C  
-ATOM  12213  CG2 VAL H  74      69.413 130.943  35.302  1.00 12.28           C  
-ATOM  12214  N   SER H  75      72.759 132.031  33.805  1.00 14.07           N  
-ATOM  12215  CA  SER H  75      73.686 132.892  34.544  1.00 14.93           C  
-ATOM  12216  C   SER H  75      72.938 134.020  35.216  1.00 15.18           C  
-ATOM  12217  O   SER H  75      72.110 134.683  34.604  1.00 16.01           O  
-ATOM  12218  CB  SER H  75      74.747 133.493  33.614  1.00 14.93           C  
-ATOM  12219  OG  SER H  75      75.418 132.458  32.911  1.00 14.44           O  
-ATOM  12220  N   VAL H  76      73.259 134.279  36.468  1.00 15.38           N  
-ATOM  12221  CA  VAL H  76      72.503 135.192  37.304  1.00 15.06           C  
-ATOM  12222  C   VAL H  76      73.496 136.112  38.026  1.00 15.87           C  
-ATOM  12223  O   VAL H  76      74.467 135.649  38.613  1.00 15.27           O  
-ATOM  12224  CB  VAL H  76      71.670 134.403  38.388  1.00 15.91           C  
-ATOM  12225  CG1 VAL H  76      70.766 135.327  39.236  1.00 14.10           C  
-ATOM  12226  CG2 VAL H  76      70.844 133.278  37.762  1.00 13.91           C  
-ATOM  12227  N   PRO H  77      73.242 137.421  38.016  1.00 16.50           N  
-ATOM  12228  CA  PRO H  77      74.088 138.368  38.768  1.00 16.61           C  
-ATOM  12229  C   PRO H  77      74.034 137.935  40.227  1.00 16.56           C  
-ATOM  12230  O   PRO H  77      72.962 137.631  40.684  1.00 16.56           O  
-ATOM  12231  CB  PRO H  77      73.390 139.741  38.584  1.00 16.50           C  
-ATOM  12232  CG  PRO H  77      72.408 139.584  37.461  1.00 17.63           C  
-ATOM  12233  CD  PRO H  77      72.143 138.065  37.287  1.00 16.49           C  
-ATOM  12234  N   ILE H  78      75.144 137.901  40.938  1.00 17.38           N  
-ATOM  12235  CA  ILE H  78      75.146 137.496  42.351  1.00 18.73           C  
-ATOM  12236  C   ILE H  78      74.348 138.440  43.243  1.00 19.61           C  
-ATOM  12237  O   ILE H  78      73.919 138.057  44.340  1.00 19.59           O  
-ATOM  12238  CB  ILE H  78      76.590 137.310  42.917  1.00 19.29           C  
-ATOM  12239  CG1 ILE H  78      77.388 138.613  42.856  1.00 20.18           C  
-ATOM  12240  CG2 ILE H  78      77.343 136.216  42.168  1.00 18.30           C  
-ATOM  12241  CD1 ILE H  78      78.642 138.641  43.819  1.00 22.87           C  
-ATOM  12242  N   SER H  79      74.113 139.667  42.780  1.00 19.55           N  
-ATOM  12243  CA  SER H  79      73.256 140.592  43.549  1.00 20.85           C  
-ATOM  12244  C   SER H  79      71.809 140.062  43.623  1.00 20.62           C  
-ATOM  12245  O   SER H  79      71.048 140.455  44.502  1.00 20.44           O  
-ATOM  12246  CB  SER H  79      73.284 142.021  42.942  1.00 21.45           C  
-ATOM  12247  OG  SER H  79      72.576 142.090  41.696  1.00 23.83           O  
-ATOM  12248  N   SER H  80      71.438 139.166  42.710  1.00 19.98           N  
-ATOM  12249  CA  SER H  80      70.109 138.563  42.753  1.00 20.62           C  
-ATOM  12250  C   SER H  80      70.057 137.223  43.539  1.00 20.15           C  
-ATOM  12251  O   SER H  80      69.028 136.586  43.563  1.00 20.45           O  
-ATOM  12252  CB  SER H  80      69.602 138.300  41.330  1.00 20.35           C  
-ATOM  12253  OG  SER H  80      69.248 139.491  40.686  1.00 23.70           O  
-ATOM  12254  N   LEU H  81      71.163 136.812  44.142  1.00 19.41           N  
-ATOM  12255  CA  LEU H  81      71.256 135.508  44.788  1.00 19.38           C  
-ATOM  12256  C   LEU H  81      71.800 135.655  46.190  1.00 18.39           C  
-ATOM  12257  O   LEU H  81      72.609 136.538  46.425  1.00 17.77           O  
-ATOM  12258  CB  LEU H  81      72.295 134.645  44.049  1.00 20.25           C  
-ATOM  12259  CG  LEU H  81      72.049 134.208  42.627  1.00 21.56           C  
-ATOM  12260  CD1 LEU H  81      73.067 133.188  42.179  1.00 22.25           C  
-ATOM  12261  CD2 LEU H  81      70.688 133.600  42.587  1.00 24.38           C  
-ATOM  12262  N   TRP H  82      71.427 134.754  47.105  1.00 17.61           N  
-ATOM  12263  CA  TRP H  82      72.219 134.594  48.331  1.00 16.98           C  
-ATOM  12264  C   TRP H  82      73.533 133.914  47.957  1.00 17.17           C  
-ATOM  12265  O   TRP H  82      73.572 132.932  47.191  1.00 16.99           O  
-ATOM  12266  CB  TRP H  82      71.509 133.746  49.384  1.00 16.44           C  
-ATOM  12267  CG  TRP H  82      72.340 133.530  50.628  1.00 16.44           C  
-ATOM  12268  CD1 TRP H  82      72.380 134.313  51.737  1.00 15.24           C  
-ATOM  12269  CD2 TRP H  82      73.222 132.437  50.878  1.00 15.89           C  
-ATOM  12270  NE1 TRP H  82      73.239 133.791  52.669  1.00 16.19           N  
-ATOM  12271  CE2 TRP H  82      73.764 132.622  52.176  1.00 16.86           C  
-ATOM  12272  CE3 TRP H  82      73.579 131.283  50.153  1.00 14.97           C  
-ATOM  12273  CZ2 TRP H  82      74.659 131.713  52.756  1.00 14.75           C  
-ATOM  12274  CZ3 TRP H  82      74.466 130.357  50.741  1.00 15.34           C  
-ATOM  12275  CH2 TRP H  82      75.001 130.592  52.033  1.00 15.70           C  
-ATOM  12276  N   VAL H  83      74.607 134.412  48.544  1.00 17.67           N  
-ATOM  12277  CA  VAL H  83      75.962 133.911  48.287  1.00 18.14           C  
-ATOM  12278  C   VAL H  83      76.580 133.785  49.675  1.00 18.16           C  
-ATOM  12279  O   VAL H  83      76.319 134.623  50.535  1.00 17.95           O  
-ATOM  12280  CB  VAL H  83      76.745 134.914  47.392  1.00 18.84           C  
-ATOM  12281  CG1 VAL H  83      78.223 134.697  47.427  1.00 20.44           C  
-ATOM  12282  CG2 VAL H  83      76.245 134.867  45.939  1.00 18.95           C  
-ATOM  12283  N   PRO H  84      77.319 132.705  49.929  1.00 18.33           N  
-ATOM  12284  CA  PRO H  84      77.978 132.534  51.227  1.00 18.17           C  
-ATOM  12285  C   PRO H  84      78.953 133.693  51.536  1.00 17.67           C  
-ATOM  12286  O   PRO H  84      79.698 134.178  50.696  1.00 17.25           O  
-ATOM  12287  CB  PRO H  84      78.749 131.195  51.085  1.00 18.28           C  
-ATOM  12288  CG  PRO H  84      78.400 130.603  49.762  1.00 18.59           C  
-ATOM  12289  CD  PRO H  84      77.576 131.582  48.997  1.00 18.46           C  
-ATOM  12290  N   ASP H  85      78.941 134.130  52.779  1.00 17.61           N  
-ATOM  12291  CA  ASP H  85      79.785 135.239  53.235  1.00 17.17           C  
-ATOM  12292  C   ASP H  85      81.216 134.699  53.571  1.00 16.80           C  
-ATOM  12293  O   ASP H  85      81.685 134.797  54.704  1.00 16.48           O  
-ATOM  12294  CB  ASP H  85      79.112 135.908  54.442  1.00 16.34           C  
-ATOM  12295  CG  ASP H  85      79.005 134.987  55.661  1.00 18.83           C  
-ATOM  12296  OD1 ASP H  85      78.880 133.750  55.486  1.00 18.20           O  
-ATOM  12297  OD2 ASP H  85      79.014 135.403  56.855  1.00 19.80           O  
-ATOM  12298  N   LEU H  86      81.882 134.134  52.578  1.00 16.14           N  
-ATOM  12299  CA  LEU H  86      83.218 133.590  52.773  1.00 16.81           C  
-ATOM  12300  C   LEU H  86      84.268 134.672  52.857  1.00 17.04           C  
-ATOM  12301  O   LEU H  86      84.218 135.667  52.119  1.00 16.68           O  
-ATOM  12302  CB  LEU H  86      83.591 132.609  51.652  1.00 16.35           C  
-ATOM  12303  CG  LEU H  86      82.643 131.401  51.522  1.00 16.69           C  
-ATOM  12304  CD1 LEU H  86      83.099 130.535  50.392  1.00 17.32           C  
-ATOM  12305  CD2 LEU H  86      82.550 130.623  52.802  1.00 15.21           C  
-ATOM  12306  N   ALA H  87      85.248 134.441  53.728  1.00 16.94           N  
-ATOM  12307  CA  ALA H  87      86.389 135.349  53.836  1.00 17.11           C  
-ATOM  12308  C   ALA H  87      87.675 134.559  54.046  1.00 16.98           C  
-ATOM  12309  O   ALA H  87      87.654 133.499  54.676  1.00 16.65           O  
-ATOM  12310  CB  ALA H  87      86.165 136.343  54.989  1.00 16.63           C  
-ATOM  12311  N   ALA H  88      88.781 135.065  53.496  1.00 16.91           N  
-ATOM  12312  CA  ALA H  88      90.087 134.513  53.833  1.00 17.01           C  
-ATOM  12313  C   ALA H  88      90.638 135.184  55.106  1.00 17.29           C  
-ATOM  12314  O   ALA H  88      90.886 136.403  55.113  1.00 17.31           O  
-ATOM  12315  CB  ALA H  88      91.035 134.656  52.677  1.00 17.11           C  
-ATOM  12316  N   TYR H  89      90.815 134.391  56.170  1.00 16.50           N  
-ATOM  12317  CA  TYR H  89      91.221 134.894  57.477  1.00 16.68           C  
-ATOM  12318  C   TYR H  89      92.596 135.564  57.513  1.00 16.68           C  
-ATOM  12319  O   TYR H  89      92.831 136.481  58.351  1.00 16.46           O  
-ATOM  12320  CB  TYR H  89      91.190 133.779  58.530  1.00 16.54           C  
-ATOM  12321  CG  TYR H  89      89.827 133.452  59.065  1.00 17.38           C  
-ATOM  12322  CD1 TYR H  89      88.817 132.954  58.230  1.00 18.29           C  
-ATOM  12323  CD2 TYR H  89      89.533 133.625  60.419  1.00 18.56           C  
-ATOM  12324  CE1 TYR H  89      87.558 132.651  58.732  1.00 20.92           C  
-ATOM  12325  CE2 TYR H  89      88.273 133.305  60.932  1.00 19.22           C  
-ATOM  12326  CZ  TYR H  89      87.295 132.820  60.084  1.00 21.90           C  
-ATOM  12327  OH  TYR H  89      86.052 132.509  60.575  1.00 23.82           O  
-ATOM  12328  N   ASN H  90      93.497 135.119  56.622  1.00 15.48           N  
-ATOM  12329  CA  ASN H  90      94.851 135.661  56.604  1.00 15.06           C  
-ATOM  12330  C   ASN H  90      95.112 136.554  55.396  1.00 14.93           C  
-ATOM  12331  O   ASN H  90      96.253 136.831  55.073  1.00 14.43           O  
-ATOM  12332  CB  ASN H  90      95.904 134.556  56.734  1.00 14.54           C  
-ATOM  12333  CG  ASN H  90      95.809 133.516  55.620  1.00 15.95           C  
-ATOM  12334  OD1 ASN H  90      94.696 133.097  55.225  1.00 16.08           O  
-ATOM  12335  ND2 ASN H  90      96.961 133.096  55.100  1.00 13.90           N  
-ATOM  12336  N   ALA H  91      94.042 136.986  54.729  1.00 14.79           N  
-ATOM  12337  CA  ALA H  91      94.094 138.020  53.698  1.00 15.00           C  
-ATOM  12338  C   ALA H  91      94.468 139.373  54.292  1.00 14.96           C  
-ATOM  12339  O   ALA H  91      93.977 139.734  55.363  1.00 14.32           O  
-ATOM  12340  CB  ALA H  91      92.739 138.154  52.991  1.00 14.80           C  
-ATOM  12341  N   ILE H  92      95.336 140.096  53.591  1.00 14.99           N  
-ATOM  12342  CA  ILE H  92      95.773 141.421  54.042  1.00 15.85           C  
-ATOM  12343  C   ILE H  92      95.404 142.499  53.006  1.00 16.50           C  
-ATOM  12344  O   ILE H  92      95.821 143.633  53.100  1.00 16.60           O  
-ATOM  12345  CB  ILE H  92      97.313 141.444  54.374  1.00 16.17           C  
-ATOM  12346  CG1 ILE H  92      98.138 141.037  53.143  1.00 15.93           C  
-ATOM  12347  CG2 ILE H  92      97.628 140.562  55.595  1.00 15.22           C  
-ATOM  12348  CD1 ILE H  92      99.614 141.274  53.288  1.00 15.40           C  
-ATOM  12349  N   SER H  93      94.621 142.134  52.013  1.00 17.11           N  
-ATOM  12350  CA  SER H  93      94.038 143.097  51.114  1.00 18.31           C  
-ATOM  12351  C   SER H  93      92.637 142.571  50.826  1.00 18.95           C  
-ATOM  12352  O   SER H  93      92.361 141.380  51.017  1.00 18.51           O  
-ATOM  12353  CB  SER H  93      94.872 143.203  49.840  1.00 18.14           C  
-ATOM  12354  OG  SER H  93      94.702 142.039  49.061  1.00 18.42           O  
-ATOM  12355  N   LYS H  94      91.736 143.452  50.413  1.00 19.97           N  
-ATOM  12356  CA  LYS H  94      90.404 142.980  50.075  1.00 22.20           C  
-ATOM  12357  C   LYS H  94      90.410 142.160  48.761  1.00 21.86           C  
-ATOM  12358  O   LYS H  94      91.339 142.291  47.953  1.00 22.66           O  
-ATOM  12359  CB  LYS H  94      89.403 144.149  50.080  1.00 23.07           C  
-ATOM  12360  CG  LYS H  94      89.243 144.952  48.797  1.00 26.64           C  
-ATOM  12361  CD  LYS H  94      88.478 146.273  49.127  1.00 29.60           C  
-ATOM  12362  CE  LYS H  94      86.989 146.024  49.432  1.00 31.37           C  
-ATOM  12363  NZ  LYS H  94      86.358 147.028  50.382  1.00 33.20           N  
-ATOM  12364  N   PRO H  95      89.417 141.306  48.542  1.00 22.20           N  
-ATOM  12365  CA  PRO H  95      89.437 140.483  47.317  1.00 22.35           C  
-ATOM  12366  C   PRO H  95      89.173 141.374  46.110  1.00 21.91           C  
-ATOM  12367  O   PRO H  95      88.147 142.031  46.064  1.00 21.77           O  
-ATOM  12368  CB  PRO H  95      88.276 139.516  47.500  1.00 21.96           C  
-ATOM  12369  CG  PRO H  95      87.805 139.720  48.894  1.00 22.12           C  
-ATOM  12370  CD  PRO H  95      88.203 141.057  49.346  1.00 20.96           C  
-ATOM  12371  N   GLU H  96      90.104 141.383  45.174  1.00 21.91           N  
-ATOM  12372  CA  GLU H  96      89.899 142.030  43.899  1.00 22.59           C  
-ATOM  12373  C   GLU H  96      89.307 140.999  42.939  1.00 21.50           C  
-ATOM  12374  O   GLU H  96      89.990 140.055  42.528  1.00 21.79           O  
-ATOM  12375  CB  GLU H  96      91.241 142.556  43.376  1.00 23.32           C  
-ATOM  12376  CG  GLU H  96      91.179 143.569  42.243  1.00 28.35           C  
-ATOM  12377  CD  GLU H  96      92.577 144.018  41.809  1.00 35.21           C  
-ATOM  12378  OE1 GLU H  96      93.482 144.026  42.684  1.00 38.44           O  
-ATOM  12379  OE2 GLU H  96      92.781 144.370  40.608  1.00 38.37           O  
-ATOM  12380  N   VAL H  97      88.032 141.163  42.616  1.00 20.51           N  
-ATOM  12381  CA  VAL H  97      87.337 140.276  41.698  1.00 19.68           C  
-ATOM  12382  C   VAL H  97      87.607 140.702  40.254  1.00 19.44           C  
-ATOM  12383  O   VAL H  97      87.277 141.833  39.859  1.00 18.36           O  
-ATOM  12384  CB  VAL H  97      85.818 140.254  41.931  1.00 19.62           C  
-ATOM  12385  CG1 VAL H  97      85.180 139.207  40.974  1.00 18.80           C  
-ATOM  12386  CG2 VAL H  97      85.503 139.951  43.403  1.00 18.74           C  
-ATOM  12387  N   LEU H  98      88.179 139.788  39.474  1.00 18.29           N  
-ATOM  12388  CA  LEU H  98      88.659 140.126  38.141  1.00 18.79           C  
-ATOM  12389  C   LEU H  98      87.643 139.869  37.021  1.00 18.47           C  
-ATOM  12390  O   LEU H  98      87.792 140.390  35.910  1.00 18.53           O  
-ATOM  12391  CB  LEU H  98      90.001 139.418  37.863  1.00 18.69           C  
-ATOM  12392  CG  LEU H  98      91.142 139.608  38.886  1.00 19.89           C  
-ATOM  12393  CD1 LEU H  98      92.348 138.765  38.547  1.00 18.91           C  
-ATOM  12394  CD2 LEU H  98      91.578 141.120  38.980  1.00 19.92           C  
-ATOM  12395  N   THR H  99      86.613 139.095  37.338  1.00 17.68           N  
-ATOM  12396  CA  THR H  99      85.671 138.556  36.359  1.00 17.64           C  
-ATOM  12397  C   THR H  99      84.242 139.041  36.600  1.00 18.08           C  
-ATOM  12398  O   THR H  99      83.912 139.488  37.699  1.00 18.04           O  
-ATOM  12399  CB  THR H  99      85.660 137.008  36.413  1.00 17.59           C  
-ATOM  12400  OG1 THR H  99      85.683 136.581  37.776  1.00 16.23           O  
-ATOM  12401  CG2 THR H  99      86.933 136.441  35.805  1.00 16.32           C  
-ATOM  12402  N   PRO H 100      83.397 138.958  35.567  1.00 18.32           N  
-ATOM  12403  CA  PRO H 100      81.991 139.337  35.700  1.00 18.15           C  
-ATOM  12404  C   PRO H 100      81.345 138.582  36.853  1.00 18.79           C  
-ATOM  12405  O   PRO H 100      81.553 137.341  37.001  1.00 18.06           O  
-ATOM  12406  CB  PRO H 100      81.389 138.924  34.357  1.00 18.26           C  
-ATOM  12407  CG  PRO H 100      82.522 138.938  33.411  1.00 18.79           C  
-ATOM  12408  CD  PRO H 100      83.729 138.541  34.193  1.00 17.91           C  
-ATOM  12409  N   GLN H 101      80.563 139.300  37.663  1.00 18.49           N  
-ATOM  12410  CA  GLN H 101      80.051 138.700  38.897  1.00 19.43           C  
-ATOM  12411  C   GLN H 101      78.732 137.963  38.680  1.00 18.86           C  
-ATOM  12412  O   GLN H 101      77.672 138.400  39.121  1.00 18.70           O  
-ATOM  12413  CB  GLN H 101      79.997 139.734  40.022  1.00 19.54           C  
-ATOM  12414  CG  GLN H 101      81.405 140.144  40.501  1.00 23.68           C  
-ATOM  12415  CD  GLN H 101      81.380 141.287  41.484  1.00 28.84           C  
-ATOM  12416  OE1 GLN H 101      80.606 141.249  42.440  1.00 31.44           O  
-ATOM  12417  NE2 GLN H 101      82.249 142.303  41.277  1.00 29.49           N  
-ATOM  12418  N   LEU H 102      78.823 136.839  37.961  1.00 18.40           N  
-ATOM  12419  CA  LEU H 102      77.664 136.020  37.598  1.00 17.55           C  
-ATOM  12420  C   LEU H 102      77.810 134.604  38.147  1.00 17.22           C  
-ATOM  12421  O   LEU H 102      78.888 133.981  38.051  1.00 16.40           O  
-ATOM  12422  CB  LEU H 102      77.468 135.953  36.070  1.00 17.60           C  
-ATOM  12423  CG  LEU H 102      77.397 137.284  35.273  1.00 20.36           C  
-ATOM  12424  CD1 LEU H 102      77.340 137.026  33.738  1.00 21.35           C  
-ATOM  12425  CD2 LEU H 102      76.210 138.113  35.661  1.00 20.20           C  
-ATOM  12426  N   ALA H 103      76.722 134.075  38.704  1.00 16.08           N  
-ATOM  12427  CA  ALA H 103      76.740 132.676  39.140  1.00 16.67           C  
-ATOM  12428  C   ALA H 103      75.987 131.810  38.115  1.00 16.32           C  
-ATOM  12429  O   ALA H 103      75.104 132.272  37.419  1.00 17.44           O  
-ATOM  12430  CB  ALA H 103      76.134 132.548  40.519  1.00 15.69           C  
-ATOM  12431  N   ARG H 104      76.353 130.563  38.003  1.00 16.55           N  
-ATOM  12432  CA  ARG H 104      75.592 129.645  37.171  1.00 16.06           C  
-ATOM  12433  C   ARG H 104      74.604 128.960  38.088  1.00 15.39           C  
-ATOM  12434  O   ARG H 104      74.992 128.453  39.123  1.00 15.81           O  
-ATOM  12435  CB  ARG H 104      76.549 128.677  36.510  1.00 16.16           C  
-ATOM  12436  CG  ARG H 104      76.004 128.027  35.295  1.00 17.62           C  
-ATOM  12437  CD  ARG H 104      75.888 128.936  34.061  1.00 17.83           C  
-ATOM  12438  NE  ARG H 104      75.364 128.121  32.997  1.00 16.32           N  
-ATOM  12439  CZ  ARG H 104      74.831 128.561  31.893  1.00 17.18           C  
-ATOM  12440  NH1 ARG H 104      74.781 129.865  31.641  1.00 13.41           N  
-ATOM  12441  NH2 ARG H 104      74.395 127.670  31.022  1.00 14.55           N  
-ATOM  12442  N   VAL H 105      73.318 129.023  37.767  1.00 14.80           N  
-ATOM  12443  CA  VAL H 105      72.274 128.372  38.577  1.00 14.17           C  
-ATOM  12444  C   VAL H 105      71.589 127.281  37.730  1.00 14.62           C  
-ATOM  12445  O   VAL H 105      71.130 127.571  36.617  1.00 13.79           O  
-ATOM  12446  CB  VAL H 105      71.220 129.366  39.003  1.00 14.71           C  
-ATOM  12447  CG1 VAL H 105      70.145 128.673  39.811  1.00 14.19           C  
-ATOM  12448  CG2 VAL H 105      71.849 130.559  39.798  1.00 14.06           C  
-ATOM  12449  N   VAL H 106      71.540 126.057  38.273  1.00 14.31           N  
-ATOM  12450  CA  VAL H 106      70.898 124.914  37.633  1.00 14.24           C  
-ATOM  12451  C   VAL H 106      69.445 124.810  38.140  1.00 14.51           C  
-ATOM  12452  O   VAL H 106      69.143 125.242  39.260  1.00 13.59           O  
-ATOM  12453  CB  VAL H 106      71.691 123.593  37.922  1.00 14.91           C  
-ATOM  12454  CG1 VAL H 106      71.064 122.340  37.200  1.00 12.96           C  
-ATOM  12455  CG2 VAL H 106      73.198 123.765  37.576  1.00 14.70           C  
-ATOM  12456  N   SER H 107      68.561 124.215  37.322  1.00 14.47           N  
-ATOM  12457  CA  SER H 107      67.128 124.122  37.646  1.00 15.26           C  
-ATOM  12458  C   SER H 107      66.758 123.392  38.938  1.00 15.49           C  
-ATOM  12459  O   SER H 107      65.639 123.530  39.424  1.00 15.12           O  
-ATOM  12460  CB  SER H 107      66.343 123.547  36.480  1.00 14.80           C  
-ATOM  12461  OG  SER H 107      66.631 122.183  36.361  1.00 15.01           O  
-ATOM  12462  N   ASP H 108      67.685 122.634  39.506  1.00 16.59           N  
-ATOM  12463  CA  ASP H 108      67.405 121.960  40.778  1.00 17.91           C  
-ATOM  12464  C   ASP H 108      67.879 122.791  41.965  1.00 17.59           C  
-ATOM  12465  O   ASP H 108      67.763 122.357  43.118  1.00 17.62           O  
-ATOM  12466  CB  ASP H 108      68.020 120.549  40.816  1.00 18.25           C  
-ATOM  12467  CG  ASP H 108      69.562 120.569  40.765  1.00 21.41           C  
-ATOM  12468  OD1 ASP H 108      70.185 121.668  40.719  1.00 23.02           O  
-ATOM  12469  OD2 ASP H 108      70.233 119.517  40.766  1.00 24.32           O  
-ATOM  12470  N   GLY H 109      68.400 123.994  41.694  1.00 17.64           N  
-ATOM  12471  CA  GLY H 109      68.844 124.865  42.763  1.00 17.11           C  
-ATOM  12472  C   GLY H 109      70.338 124.817  43.050  1.00 17.57           C  
-ATOM  12473  O   GLY H 109      70.794 125.465  43.996  1.00 17.74           O  
-ATOM  12474  N   GLU H 110      71.115 124.071  42.259  1.00 17.27           N  
-ATOM  12475  CA  GLU H 110      72.573 124.049  42.454  1.00 18.25           C  
-ATOM  12476  C   GLU H 110      73.193 125.308  41.884  1.00 17.53           C  
-ATOM  12477  O   GLU H 110      72.865 125.727  40.775  1.00 17.55           O  
-ATOM  12478  CB  GLU H 110      73.246 122.851  41.801  1.00 18.99           C  
-ATOM  12479  CG  GLU H 110      72.965 121.488  42.438  1.00 24.40           C  
-ATOM  12480  CD  GLU H 110      73.322 121.427  43.919  1.00 31.31           C  
-ATOM  12481  OE1 GLU H 110      74.488 121.729  44.289  1.00 33.87           O  
-ATOM  12482  OE2 GLU H 110      72.420 121.101  44.723  1.00 34.46           O  
-ATOM  12483  N   VAL H 111      74.083 125.914  42.648  1.00 16.55           N  
-ATOM  12484  CA  VAL H 111      74.743 127.149  42.226  1.00 15.98           C  
-ATOM  12485  C   VAL H 111      76.260 126.930  42.151  1.00 15.84           C  
-ATOM  12486  O   VAL H 111      76.850 126.320  43.019  1.00 15.11           O  
-ATOM  12487  CB  VAL H 111      74.431 128.346  43.185  1.00 15.55           C  
-ATOM  12488  CG1 VAL H 111      74.864 129.679  42.546  1.00 14.86           C  
-ATOM  12489  CG2 VAL H 111      72.968 128.388  43.535  1.00 13.86           C  
-ATOM  12490  N   LEU H 112      76.856 127.397  41.069  1.00 15.97           N  
-ATOM  12491  CA  LEU H 112      78.286 127.514  40.931  1.00 16.34           C  
-ATOM  12492  C   LEU H 112      78.667 128.991  40.747  1.00 16.48           C  
-ATOM  12493  O   LEU H 112      78.254 129.611  39.794  1.00 15.48           O  
-ATOM  12494  CB  LEU H 112      78.754 126.714  39.721  1.00 16.68           C  
-ATOM  12495  CG  LEU H 112      80.232 126.901  39.287  1.00 18.84           C  
-ATOM  12496  CD1 LEU H 112      81.226 126.444  40.358  1.00 16.27           C  
-ATOM  12497  CD2 LEU H 112      80.500 126.132  38.001  1.00 19.74           C  
-ATOM  12498  N   TYR H 113      79.454 129.524  41.676  1.00 16.88           N  
-ATOM  12499  CA  TYR H 113      80.028 130.847  41.571  1.00 17.22           C  
-ATOM  12500  C   TYR H 113      81.542 130.645  41.632  1.00 17.21           C  
-ATOM  12501  O   TYR H 113      82.049 130.067  42.604  1.00 17.28           O  
-ATOM  12502  CB  TYR H 113      79.521 131.738  42.714  1.00 17.35           C  
-ATOM  12503  CG  TYR H 113      80.066 133.143  42.629  1.00 18.78           C  
-ATOM  12504  CD1 TYR H 113      80.127 133.820  41.398  1.00 19.89           C  
-ATOM  12505  CD2 TYR H 113      80.551 133.795  43.766  1.00 19.98           C  
-ATOM  12506  CE1 TYR H 113      80.654 135.127  41.321  1.00 21.98           C  
-ATOM  12507  CE2 TYR H 113      81.070 135.108  43.669  1.00 19.84           C  
-ATOM  12508  CZ  TYR H 113      81.113 135.750  42.456  1.00 22.17           C  
-ATOM  12509  OH  TYR H 113      81.650 137.018  42.379  1.00 26.54           O  
-ATOM  12510  N   MET H 114      82.245 131.076  40.594  1.00 16.71           N  
-ATOM  12511  CA  MET H 114      83.672 130.866  40.451  1.00 16.94           C  
-ATOM  12512  C   MET H 114      84.385 132.123  39.942  1.00 16.96           C  
-ATOM  12513  O   MET H 114      84.846 132.147  38.781  1.00 16.69           O  
-ATOM  12514  CB  MET H 114      83.912 129.722  39.454  1.00 17.99           C  
-ATOM  12515  CG  MET H 114      85.375 129.188  39.426  1.00 20.43           C  
-ATOM  12516  SD  MET H 114      85.666 127.526  38.791  1.00 28.01           S  
-ATOM  12517  CE  MET H 114      84.090 127.096  38.213  1.00 26.50           C  
-ATOM  12518  N   PRO H 115      84.489 133.156  40.779  1.00 15.98           N  
-ATOM  12519  CA  PRO H 115      85.193 134.387  40.382  1.00 16.35           C  
-ATOM  12520  C   PRO H 115      86.712 134.186  40.350  1.00 16.35           C  
-ATOM  12521  O   PRO H 115      87.211 133.375  41.107  1.00 16.35           O  
-ATOM  12522  CB  PRO H 115      84.820 135.378  41.498  1.00 15.84           C  
-ATOM  12523  CG  PRO H 115      84.590 134.505  42.721  1.00 16.10           C  
-ATOM  12524  CD  PRO H 115      83.971 133.219  42.156  1.00 16.15           C  
-ATOM  12525  N   SER H 116      87.416 134.860  39.452  1.00 16.06           N  
-ATOM  12526  CA  SER H 116      88.856 134.986  39.549  1.00 16.45           C  
-ATOM  12527  C   SER H 116      89.187 136.133  40.500  1.00 16.67           C  
-ATOM  12528  O   SER H 116      88.742 137.252  40.277  1.00 16.24           O  
-ATOM  12529  CB  SER H 116      89.456 135.299  38.189  1.00 16.57           C  
-ATOM  12530  OG  SER H 116      90.863 135.187  38.233  1.00 18.37           O  
-ATOM  12531  N   ILE H 117      89.989 135.839  41.521  1.00 16.88           N  
-ATOM  12532  CA  ILE H 117      90.304 136.768  42.589  1.00 17.20           C  
-ATOM  12533  C   ILE H 117      91.805 137.051  42.696  1.00 17.53           C  
-ATOM  12534  O   ILE H 117      92.634 136.144  42.643  1.00 17.42           O  
-ATOM  12535  CB  ILE H 117      89.747 136.243  43.897  1.00 17.89           C  
-ATOM  12536  CG1 ILE H 117      88.200 136.325  43.853  1.00 19.49           C  
-ATOM  12537  CG2 ILE H 117      90.293 137.070  45.123  1.00 17.70           C  
-ATOM  12538  CD1 ILE H 117      87.505 135.897  45.100  1.00 20.42           C  
-ATOM  12539  N   ARG H 118      92.151 138.328  42.798  1.00 17.37           N  
-ATOM  12540  CA  ARG H 118      93.513 138.700  43.164  1.00 17.60           C  
-ATOM  12541  C   ARG H 118      93.517 139.221  44.591  1.00 17.18           C  
-ATOM  12542  O   ARG H 118      92.717 140.070  44.940  1.00 16.62           O  
-ATOM  12543  CB  ARG H 118      94.115 139.749  42.217  1.00 17.66           C  
-ATOM  12544  CG  ARG H 118      95.558 140.032  42.538  1.00 19.38           C  
-ATOM  12545  CD  ARG H 118      96.187 141.105  41.700  1.00 23.05           C  
-ATOM  12546  NE  ARG H 118      97.578 141.315  42.069  1.00 26.35           N  
-ATOM  12547  CZ  ARG H 118      98.496 141.870  41.271  1.00 28.23           C  
-ATOM  12548  NH1 ARG H 118      98.182 142.257  40.028  1.00 27.97           N  
-ATOM  12549  NH2 ARG H 118      99.740 142.033  41.714  1.00 27.63           N  
-ATOM  12550  N   GLN H 119      94.406 138.672  45.418  1.00 16.75           N  
-ATOM  12551  CA  GLN H 119      94.397 138.997  46.836  1.00 16.71           C  
-ATOM  12552  C   GLN H 119      95.802 138.744  47.430  1.00 16.13           C  
-ATOM  12553  O   GLN H 119      96.540 137.883  46.956  1.00 15.72           O  
-ATOM  12554  CB  GLN H 119      93.333 138.160  47.559  1.00 16.41           C  
-ATOM  12555  CG  GLN H 119      92.955 138.725  48.870  1.00 17.38           C  
-ATOM  12556  CD  GLN H 119      91.697 138.128  49.441  1.00 18.26           C  
-ATOM  12557  OE1 GLN H 119      91.334 136.968  49.120  1.00 19.71           O  
-ATOM  12558  NE2 GLN H 119      91.020 138.907  50.287  1.00 17.62           N  
-ATOM  12559  N   ARG H 120      96.169 139.519  48.437  1.00 14.00           N  
-ATOM  12560  CA  ARG H 120      97.472 139.370  49.076  1.00 14.09           C  
-ATOM  12561  C   ARG H 120      97.320 138.597  50.412  1.00 13.60           C  
-ATOM  12562  O   ARG H 120      96.317 138.732  51.095  1.00 12.63           O  
-ATOM  12563  CB  ARG H 120      98.108 140.764  49.285  1.00 14.72           C  
-ATOM  12564  CG  ARG H 120      98.944 141.328  48.096  1.00 16.80           C  
-ATOM  12565  CD  ARG H 120      99.036 142.897  48.050  1.00 24.52           C  
-ATOM  12566  NE  ARG H 120      97.926 143.455  47.253  1.00 31.41           N  
-ATOM  12567  CZ  ARG H 120      97.338 144.647  47.430  1.00 35.19           C  
-ATOM  12568  NH1 ARG H 120      97.739 145.499  48.384  1.00 36.15           N  
-ATOM  12569  NH2 ARG H 120      96.324 144.986  46.638  1.00 36.53           N  
-ATOM  12570  N   PHE H 121      98.315 137.809  50.799  1.00 13.84           N  
-ATOM  12571  CA  PHE H 121      98.182 137.013  52.018  1.00 14.81           C  
-ATOM  12572  C   PHE H 121      99.372 137.096  52.917  1.00 15.28           C  
-ATOM  12573  O   PHE H 121     100.504 137.281  52.456  1.00 15.43           O  
-ATOM  12574  CB  PHE H 121      97.887 135.538  51.697  1.00 14.23           C  
-ATOM  12575  CG  PHE H 121      96.590 135.346  51.020  1.00 16.02           C  
-ATOM  12576  CD1 PHE H 121      95.419 135.217  51.769  1.00 16.89           C  
-ATOM  12577  CD2 PHE H 121      96.509 135.381  49.640  1.00 17.03           C  
-ATOM  12578  CE1 PHE H 121      94.192 135.093  51.158  1.00 13.36           C  
-ATOM  12579  CE2 PHE H 121      95.269 135.226  49.021  1.00 20.39           C  
-ATOM  12580  CZ  PHE H 121      94.117 135.089  49.791  1.00 18.16           C  
-ATOM  12581  N   SER H 122      99.095 136.954  54.208  1.00 15.47           N  
-ATOM  12582  CA  SER H 122     100.127 136.777  55.209  1.00 16.17           C  
-ATOM  12583  C   SER H 122     100.258 135.272  55.410  1.00 16.80           C  
-ATOM  12584  O   SER H 122      99.298 134.589  55.806  1.00 16.09           O  
-ATOM  12585  CB  SER H 122      99.743 137.482  56.505  1.00 15.49           C  
-ATOM  12586  OG  SER H 122     100.577 137.100  57.591  1.00 15.94           O  
-ATOM  12587  N   CYS H 123     101.435 134.752  55.119  1.00 17.65           N  
-ATOM  12588  CA  CYS H 123     101.678 133.318  55.295  1.00 19.76           C  
-ATOM  12589  C   CYS H 123     103.162 132.979  55.192  1.00 19.41           C  
-ATOM  12590  O   CYS H 123     103.983 133.856  54.898  1.00 19.57           O  
-ATOM  12591  CB  CYS H 123     100.862 132.529  54.271  1.00 20.57           C  
-ATOM  12592  SG  CYS H 123     101.312 132.877  52.578  1.00 25.48           S  
-ATOM  12593  N   ASP H 124     103.492 131.716  55.442  1.00 19.60           N  
-ATOM  12594  CA  ASP H 124     104.867 131.237  55.488  1.00 19.36           C  
-ATOM  12595  C   ASP H 124     105.508 131.170  54.109  1.00 19.19           C  
-ATOM  12596  O   ASP H 124     105.262 130.248  53.325  1.00 18.89           O  
-ATOM  12597  CB  ASP H 124     104.915 129.858  56.139  1.00 19.42           C  
-ATOM  12598  CG  ASP H 124     106.307 129.500  56.676  1.00 20.17           C  
-ATOM  12599  OD1 ASP H 124     107.270 130.295  56.483  1.00 19.29           O  
-ATOM  12600  OD2 ASP H 124     106.514 128.425  57.305  1.00 21.33           O  
-ATOM  12601  N   VAL H 125     106.344 132.159  53.822  1.00 19.05           N  
-ATOM  12602  CA  VAL H 125     107.049 132.212  52.543  1.00 18.78           C  
-ATOM  12603  C   VAL H 125     108.453 131.564  52.632  1.00 18.45           C  
-ATOM  12604  O   VAL H 125     109.132 131.410  51.615  1.00 18.22           O  
-ATOM  12605  CB  VAL H 125     107.082 133.668  52.022  1.00 18.87           C  
-ATOM  12606  CG1 VAL H 125     107.859 133.801  50.735  1.00 19.01           C  
-ATOM  12607  CG2 VAL H 125     105.660 134.155  51.800  1.00 18.39           C  
-ATOM  12608  N   SER H 126     108.881 131.194  53.838  1.00 18.07           N  
-ATOM  12609  CA  SER H 126     110.222 130.622  54.021  1.00 18.25           C  
-ATOM  12610  C   SER H 126     110.421 129.368  53.173  1.00 17.87           C  
-ATOM  12611  O   SER H 126     109.515 128.541  53.056  1.00 17.60           O  
-ATOM  12612  CB  SER H 126     110.528 130.316  55.504  1.00 18.30           C  
-ATOM  12613  OG  SER H 126     109.737 129.226  55.987  1.00 18.74           O  
-ATOM  12614  N   GLY H 127     111.607 129.255  52.582  1.00 17.66           N  
-ATOM  12615  CA  GLY H 127     111.940 128.152  51.702  1.00 17.45           C  
-ATOM  12616  C   GLY H 127     111.478 128.290  50.259  1.00 17.06           C  
-ATOM  12617  O   GLY H 127     111.640 127.370  49.478  1.00 17.22           O  
-ATOM  12618  N   VAL H 128     110.934 129.436  49.886  1.00 16.79           N  
-ATOM  12619  CA  VAL H 128     110.408 129.596  48.538  1.00 16.99           C  
-ATOM  12620  C   VAL H 128     111.429 129.350  47.429  1.00 17.16           C  
-ATOM  12621  O   VAL H 128     111.053 129.027  46.297  1.00 17.14           O  
-ATOM  12622  CB  VAL H 128     109.682 130.961  48.329  1.00 16.88           C  
-ATOM  12623  CG1 VAL H 128     110.674 132.140  48.383  1.00 16.76           C  
-ATOM  12624  CG2 VAL H 128     108.963 130.956  47.011  1.00 16.89           C  
-ATOM  12625  N   ASP H 129     112.704 129.513  47.758  1.00 18.11           N  
-ATOM  12626  CA  ASP H 129     113.795 129.377  46.803  1.00 19.04           C  
-ATOM  12627  C   ASP H 129     114.614 128.101  47.076  1.00 19.33           C  
-ATOM  12628  O   ASP H 129     115.779 128.027  46.712  1.00 18.84           O  
-ATOM  12629  CB  ASP H 129     114.685 130.628  46.875  1.00 19.37           C  
-ATOM  12630  CG  ASP H 129     115.553 130.815  45.637  1.00 21.25           C  
-ATOM  12631  OD1 ASP H 129     115.127 130.435  44.523  1.00 22.47           O  
-ATOM  12632  OD2 ASP H 129     116.695 131.341  45.683  1.00 24.44           O  
-ATOM  12633  N   THR H 130     114.002 127.108  47.737  1.00 19.52           N  
-ATOM  12634  CA  THR H 130     114.618 125.787  47.898  1.00 18.92           C  
-ATOM  12635  C   THR H 130     113.871 124.731  47.108  1.00 18.81           C  
-ATOM  12636  O   THR H 130     112.725 124.943  46.717  1.00 18.53           O  
-ATOM  12637  CB  THR H 130     114.681 125.318  49.375  1.00 18.95           C  
-ATOM  12638  OG1 THR H 130     113.389 125.440  50.000  1.00 19.86           O  
-ATOM  12639  CG2 THR H 130     115.620 126.173  50.194  1.00 18.81           C  
-ATOM  12640  N   GLU H 131     114.532 123.584  46.919  1.00 18.28           N  
-ATOM  12641  CA  GLU H 131     113.953 122.374  46.340  1.00 18.16           C  
-ATOM  12642  C   GLU H 131     112.574 121.979  46.895  1.00 18.14           C  
-ATOM  12643  O   GLU H 131     111.689 121.581  46.132  1.00 18.43           O  
-ATOM  12644  CB  GLU H 131     114.935 121.208  46.507  1.00 18.17           C  
-ATOM  12645  CG  GLU H 131     114.358 119.842  46.172  1.00 18.32           C  
-ATOM  12646  CD  GLU H 131     115.427 118.826  45.796  1.00 19.20           C  
-ATOM  12647  OE1 GLU H 131     115.379 118.322  44.657  1.00 19.79           O  
-ATOM  12648  OE2 GLU H 131     116.311 118.531  46.628  1.00 18.25           O  
-ATOM  12649  N   SER H 132     112.390 122.079  48.208  1.00 18.27           N  
-ATOM  12650  CA  SER H 132     111.111 121.698  48.830  1.00 18.94           C  
-ATOM  12651  C   SER H 132     110.056 122.824  48.832  1.00 18.78           C  
-ATOM  12652  O   SER H 132     108.866 122.577  49.053  1.00 18.74           O  
-ATOM  12653  CB  SER H 132     111.312 121.147  50.243  1.00 19.36           C  
-ATOM  12654  OG  SER H 132     112.190 121.964  50.987  1.00 21.44           O  
-ATOM  12655  N   GLY H 133     110.515 124.049  48.590  1.00 18.57           N  
-ATOM  12656  CA  GLY H 133     109.642 125.185  48.410  1.00 17.95           C  
-ATOM  12657  C   GLY H 133     109.022 125.705  49.690  1.00 18.09           C  
-ATOM  12658  O   GLY H 133     109.305 125.219  50.782  1.00 17.18           O  
-ATOM  12659  N   ALA H 134     108.179 126.718  49.531  1.00 17.87           N  
-ATOM  12660  CA  ALA H 134     107.435 127.304  50.640  1.00 18.63           C  
-ATOM  12661  C   ALA H 134     106.038 126.674  50.729  1.00 19.01           C  
-ATOM  12662  O   ALA H 134     105.519 126.174  49.742  1.00 18.76           O  
-ATOM  12663  CB  ALA H 134     107.335 128.807  50.451  1.00 18.31           C  
-ATOM  12664  N   THR H 135     105.444 126.681  51.918  1.00 19.79           N  
-ATOM  12665  CA  THR H 135     104.046 126.281  52.049  1.00 20.67           C  
-ATOM  12666  C   THR H 135     103.204 127.385  52.657  1.00 21.25           C  
-ATOM  12667  O   THR H 135     103.280 127.678  53.864  1.00 21.43           O  
-ATOM  12668  CB  THR H 135     103.928 124.981  52.837  1.00 20.70           C  
-ATOM  12669  OG1 THR H 135     104.743 123.992  52.185  1.00 21.43           O  
-ATOM  12670  CG2 THR H 135     102.507 124.415  52.738  1.00 20.05           C  
-ATOM  12671  N   CYS H 136     102.398 127.996  51.803  1.00 21.84           N  
-ATOM  12672  CA  CYS H 136     101.524 129.089  52.197  1.00 22.56           C  
-ATOM  12673  C   CYS H 136     100.134 128.538  52.459  1.00 22.12           C  
-ATOM  12674  O   CYS H 136      99.530 127.930  51.590  1.00 22.34           O  
-ATOM  12675  CB  CYS H 136     101.491 130.142  51.084  1.00 22.81           C  
-ATOM  12676  SG  CYS H 136     100.334 131.495  51.389  1.00 28.62           S  
-ATOM  12677  N   ARG H 137      99.623 128.764  53.661  1.00 21.77           N  
-ATOM  12678  CA  ARG H 137      98.292 128.308  54.043  1.00 21.46           C  
-ATOM  12679  C   ARG H 137      97.241 129.417  53.964  1.00 20.48           C  
-ATOM  12680  O   ARG H 137      97.398 130.478  54.580  1.00 20.09           O  
-ATOM  12681  CB  ARG H 137      98.339 127.822  55.481  1.00 21.99           C  
-ATOM  12682  CG  ARG H 137      97.604 126.544  55.695  1.00 25.30           C  
-ATOM  12683  CD  ARG H 137      97.774 125.924  57.085  1.00 30.17           C  
-ATOM  12684  NE  ARG H 137      99.075 126.220  57.700  1.00 32.94           N  
-ATOM  12685  CZ  ARG H 137     100.152 125.438  57.606  1.00 35.34           C  
-ATOM  12686  NH1 ARG H 137     100.104 124.305  56.910  1.00 35.31           N  
-ATOM  12687  NH2 ARG H 137     101.291 125.785  58.205  1.00 35.76           N  
-ATOM  12688  N   ILE H 138      96.171 129.175  53.221  1.00 18.97           N  
-ATOM  12689  CA  ILE H 138      95.082 130.133  53.139  1.00 18.53           C  
-ATOM  12690  C   ILE H 138      93.838 129.565  53.791  1.00 18.08           C  
-ATOM  12691  O   ILE H 138      93.363 128.483  53.387  1.00 17.52           O  
-ATOM  12692  CB  ILE H 138      94.762 130.512  51.676  1.00 18.24           C  
-ATOM  12693  CG1 ILE H 138      95.936 131.245  51.028  1.00 18.16           C  
-ATOM  12694  CG2 ILE H 138      93.499 131.349  51.610  1.00 17.72           C  
-ATOM  12695  CD1 ILE H 138      95.915 131.215  49.479  1.00 19.01           C  
-ATOM  12696  N   LYS H 139      93.302 130.309  54.765  1.00 17.02           N  
-ATOM  12697  CA  LYS H 139      92.165 129.836  55.557  1.00 16.78           C  
-ATOM  12698  C   LYS H 139      90.889 130.562  55.152  1.00 16.82           C  
-ATOM  12699  O   LYS H 139      90.811 131.800  55.213  1.00 16.52           O  
-ATOM  12700  CB  LYS H 139      92.471 129.991  57.043  1.00 16.73           C  
-ATOM  12701  CG  LYS H 139      91.319 129.689  58.013  1.00 17.08           C  
-ATOM  12702  CD  LYS H 139      91.751 130.037  59.474  1.00 18.43           C  
-ATOM  12703  CE  LYS H 139      90.528 130.216  60.419  1.00 19.27           C  
-ATOM  12704  NZ  LYS H 139      90.916 130.595  61.846  1.00 21.13           N  
-ATOM  12705  N   ILE H 140      89.883 129.791  54.750  1.00 16.40           N  
-ATOM  12706  CA  ILE H 140      88.655 130.363  54.213  1.00 16.43           C  
-ATOM  12707  C   ILE H 140      87.412 129.805  54.879  1.00 15.89           C  
-ATOM  12708  O   ILE H 140      87.202 128.595  54.879  1.00 14.88           O  
-ATOM  12709  CB  ILE H 140      88.563 130.145  52.690  1.00 17.07           C  
-ATOM  12710  CG1 ILE H 140      89.624 131.006  52.011  1.00 19.18           C  
-ATOM  12711  CG2 ILE H 140      87.172 130.577  52.149  1.00 16.24           C  
-ATOM  12712  CD1 ILE H 140      89.696 130.832  50.507  1.00 23.28           C  
-ATOM  12713  N   GLY H 141      86.568 130.699  55.397  1.00 14.49           N  
-ATOM  12714  CA  GLY H 141      85.364 130.245  56.072  1.00 14.33           C  
-ATOM  12715  C   GLY H 141      84.281 131.292  56.029  1.00 14.27           C  
-ATOM  12716  O   GLY H 141      84.550 132.435  55.624  1.00 14.02           O  
-ATOM  12717  N   SER H 142      83.078 130.920  56.473  1.00 13.34           N  
-ATOM  12718  CA  SER H 142      82.000 131.893  56.582  1.00 13.25           C  
-ATOM  12719  C   SER H 142      82.371 132.854  57.685  1.00 13.02           C  
-ATOM  12720  O   SER H 142      82.732 132.441  58.790  1.00 12.70           O  
-ATOM  12721  CB  SER H 142      80.665 131.268  56.954  1.00 13.40           C  
-ATOM  12722  OG  SER H 142      79.794 132.294  57.395  1.00 13.64           O  
-ATOM  12723  N   TRP H 143      82.236 134.141  57.391  1.00 12.22           N  
-ATOM  12724  CA  TRP H 143      82.542 135.163  58.387  1.00 11.83           C  
-ATOM  12725  C   TRP H 143      81.566 135.218  59.568  1.00 11.53           C  
-ATOM  12726  O   TRP H 143      81.972 135.430  60.702  1.00 11.61           O  
-ATOM  12727  CB  TRP H 143      82.707 136.528  57.724  1.00 11.81           C  
-ATOM  12728  CG  TRP H 143      83.430 137.507  58.627  1.00 11.94           C  
-ATOM  12729  CD1 TRP H 143      82.918 138.634  59.162  1.00 12.03           C  
-ATOM  12730  CD2 TRP H 143      84.799 137.438  59.067  1.00 11.36           C  
-ATOM  12731  NE1 TRP H 143      83.869 139.269  59.917  1.00 11.40           N  
-ATOM  12732  CE2 TRP H 143      85.034 138.557  59.873  1.00 10.73           C  
-ATOM  12733  CE3 TRP H 143      85.847 136.541  58.858  1.00 11.45           C  
-ATOM  12734  CZ2 TRP H 143      86.252 138.796  60.493  1.00 12.68           C  
-ATOM  12735  CZ3 TRP H 143      87.083 136.796  59.470  1.00 12.37           C  
-ATOM  12736  CH2 TRP H 143      87.256 137.907  60.287  1.00 12.66           C  
-ATOM  12737  N   THR H 144      80.282 135.008  59.308  1.00 10.83           N  
-ATOM  12738  CA  THR H 144      79.286 135.200  60.343  1.00 10.51           C  
-ATOM  12739  C   THR H 144      78.315 134.055  60.590  1.00 10.60           C  
-ATOM  12740  O   THR H 144      77.449 134.165  61.474  1.00 10.27           O  
-ATOM  12741  CB  THR H 144      78.458 136.477  60.073  1.00 11.08           C  
-ATOM  12742  OG1 THR H 144      77.530 136.237  59.004  1.00  9.76           O  
-ATOM  12743  CG2 THR H 144      79.357 137.620  59.590  1.00 10.34           C  
-ATOM  12744  N   HIS H 145      78.455 132.969  59.836  1.00 10.42           N  
-ATOM  12745  CA  HIS H 145      77.584 131.799  60.005  1.00 10.58           C  
-ATOM  12746  C   HIS H 145      78.349 130.629  60.621  1.00 10.49           C  
-ATOM  12747  O   HIS H 145      79.331 130.153  60.059  1.00 10.34           O  
-ATOM  12748  CB  HIS H 145      77.001 131.369  58.653  1.00 10.43           C  
-ATOM  12749  CG  HIS H 145      75.992 132.318  58.103  1.00 10.35           C  
-ATOM  12750  ND1 HIS H 145      74.715 132.415  58.545  1.00  9.29           N  
-ATOM  12751  CD2 HIS H 145      76.080 133.246  57.153  1.00  8.38           C  
-ATOM  12752  CE1 HIS H 145      74.047 133.330  57.872  1.00  9.55           C  
-ATOM  12753  NE2 HIS H 145      74.868 133.875  57.038  1.00 10.30           N  
-ATOM  12754  N   HIS H 146      77.892 130.178  61.775  1.00 10.49           N  
-ATOM  12755  CA  HIS H 146      78.552 129.100  62.498  1.00 10.58           C  
-ATOM  12756  C   HIS H 146      78.184 127.741  61.913  1.00 10.95           C  
-ATOM  12757  O   HIS H 146      77.436 127.694  60.935  1.00 10.82           O  
-ATOM  12758  CB  HIS H 146      78.253 129.226  63.975  1.00 10.49           C  
-ATOM  12759  CG  HIS H 146      76.791 129.183  64.305  1.00 11.76           C  
-ATOM  12760  ND1 HIS H 146      76.001 128.086  64.113  1.00 12.36           N  
-ATOM  12761  CD2 HIS H 146      75.986 130.096  64.869  1.00 11.72           C  
-ATOM  12762  CE1 HIS H 146      74.767 128.333  64.511  1.00 12.56           C  
-ATOM  12763  NE2 HIS H 146      74.731 129.552  64.978  1.00 11.92           N  
-ATOM  12764  N   SER H 147      78.715 126.655  62.503  1.00 10.95           N  
-ATOM  12765  CA  SER H 147      78.638 125.321  61.904  1.00 11.64           C  
-ATOM  12766  C   SER H 147      77.223 124.763  61.707  1.00 11.72           C  
-ATOM  12767  O   SER H 147      77.013 123.863  60.898  1.00 12.40           O  
-ATOM  12768  CB  SER H 147      79.490 124.311  62.689  1.00 11.03           C  
-ATOM  12769  OG  SER H 147      78.922 124.111  63.982  1.00 11.80           O  
-ATOM  12770  N   ARG H 148      76.245 125.287  62.429  1.00 12.06           N  
-ATOM  12771  CA  ARG H 148      74.883 124.809  62.239  1.00 12.08           C  
-ATOM  12772  C   ARG H 148      74.181 125.528  61.116  1.00 12.14           C  
-ATOM  12773  O   ARG H 148      73.068 125.168  60.747  1.00 12.31           O  
-ATOM  12774  CB  ARG H 148      74.104 124.896  63.551  1.00 12.73           C  
-ATOM  12775  CG  ARG H 148      74.661 123.977  64.625  1.00 14.10           C  
-ATOM  12776  CD  ARG H 148      73.870 123.939  65.919  1.00 19.20           C  
-ATOM  12777  NE  ARG H 148      73.742 125.256  66.556  1.00 21.87           N  
-ATOM  12778  CZ  ARG H 148      72.604 125.971  66.605  1.00 24.15           C  
-ATOM  12779  NH1 ARG H 148      71.482 125.491  66.067  1.00 22.93           N  
-ATOM  12780  NH2 ARG H 148      72.579 127.156  67.209  1.00 23.64           N  
-ATOM  12781  N   GLU H 149      74.845 126.537  60.547  1.00 11.84           N  
-ATOM  12782  CA  GLU H 149      74.280 127.324  59.465  1.00 12.26           C  
-ATOM  12783  C   GLU H 149      75.015 127.159  58.150  1.00 11.93           C  
-ATOM  12784  O   GLU H 149      74.390 127.078  57.113  1.00 11.51           O  
-ATOM  12785  CB  GLU H 149      74.225 128.806  59.856  1.00 12.03           C  
-ATOM  12786  CG  GLU H 149      73.146 129.047  60.893  1.00 13.23           C  
-ATOM  12787  CD  GLU H 149      73.102 130.467  61.435  1.00 16.19           C  
-ATOM  12788  OE1 GLU H 149      73.701 131.369  60.829  1.00 17.16           O  
-ATOM  12789  OE2 GLU H 149      72.430 130.663  62.468  1.00 17.15           O  
-ATOM  12790  N   ILE H 150      76.339 127.127  58.214  1.00 12.16           N  
-ATOM  12791  CA  ILE H 150      77.145 126.851  57.036  1.00 13.16           C  
-ATOM  12792  C   ILE H 150      78.223 125.846  57.406  1.00 14.51           C  
-ATOM  12793  O   ILE H 150      78.912 126.017  58.419  1.00 14.87           O  
-ATOM  12794  CB  ILE H 150      77.804 128.138  56.486  1.00 12.63           C  
-ATOM  12795  CG1 ILE H 150      76.753 129.060  55.861  1.00 11.88           C  
-ATOM  12796  CG2 ILE H 150      78.884 127.774  55.451  1.00 11.81           C  
-ATOM  12797  CD1 ILE H 150      77.332 130.328  55.089  1.00 10.77           C  
-ATOM  12798  N   SER H 151      78.360 124.807  56.588  1.00 15.44           N  
-ATOM  12799  CA  SER H 151      79.533 123.959  56.637  1.00 17.45           C  
-ATOM  12800  C   SER H 151      80.348 124.176  55.369  1.00 18.54           C  
-ATOM  12801  O   SER H 151      79.809 124.398  54.293  1.00 18.40           O  
-ATOM  12802  CB  SER H 151      79.122 122.496  56.813  1.00 17.53           C  
-ATOM  12803  OG  SER H 151      78.456 122.037  55.658  1.00 19.34           O  
-ATOM  12804  N   VAL H 152      81.658 124.185  55.515  1.00 20.25           N  
-ATOM  12805  CA  VAL H 152      82.541 124.274  54.365  1.00 22.50           C  
-ATOM  12806  C   VAL H 152      83.337 122.983  54.218  1.00 24.19           C  
-ATOM  12807  O   VAL H 152      83.845 122.451  55.183  1.00 24.17           O  
-ATOM  12808  CB  VAL H 152      83.465 125.505  54.415  1.00 22.65           C  
-ATOM  12809  CG1 VAL H 152      82.642 126.783  54.192  1.00 22.79           C  
-ATOM  12810  CG2 VAL H 152      84.170 125.593  55.716  1.00 23.27           C  
-ATOM  12811  N   ASP H 153      83.397 122.474  53.003  1.00 26.92           N  
-ATOM  12812  CA  ASP H 153      84.081 121.232  52.706  1.00 29.82           C  
-ATOM  12813  C   ASP H 153      84.902 121.488  51.465  1.00 31.11           C  
-ATOM  12814  O   ASP H 153      84.442 122.193  50.560  1.00 30.67           O  
-ATOM  12815  CB  ASP H 153      83.071 120.119  52.405  1.00 30.48           C  
-ATOM  12816  CG  ASP H 153      82.402 119.560  53.654  1.00 32.86           C  
-ATOM  12817  OD1 ASP H 153      82.957 119.717  54.770  1.00 35.23           O  
-ATOM  12818  OD2 ASP H 153      81.309 118.937  53.603  1.00 34.59           O  
-ATOM  12819  N   PRO H 154      86.112 120.931  51.418  1.00 32.71           N  
-ATOM  12820  CA  PRO H 154      86.933 121.008  50.211  1.00 34.58           C  
-ATOM  12821  C   PRO H 154      86.251 120.175  49.128  1.00 36.91           C  
-ATOM  12822  O   PRO H 154      85.698 119.125  49.448  1.00 37.33           O  
-ATOM  12823  CB  PRO H 154      88.260 120.378  50.649  1.00 34.06           C  
-ATOM  12824  CG  PRO H 154      87.908 119.496  51.859  1.00 33.77           C  
-ATOM  12825  CD  PRO H 154      86.774 120.184  52.505  1.00 33.02           C  
-ATOM  12826  N   THR H 155      86.268 120.642  47.887  1.00 39.40           N  
-ATOM  12827  CA  THR H 155      85.602 119.948  46.786  1.00 42.32           C  
-ATOM  12828  C   THR H 155      85.843 118.439  46.797  1.00 43.94           C  
-ATOM  12829  O   THR H 155      86.966 117.978  47.036  1.00 44.18           O  
-ATOM  12830  CB  THR H 155      86.002 120.590  45.436  1.00 42.60           C  
-ATOM  12831  OG1 THR H 155      85.686 121.991  45.480  1.00 43.32           O  
-ATOM  12832  CG2 THR H 155      85.127 120.086  44.284  1.00 42.99           C  
-ATOM  12833  N   THR H 156      84.769 117.683  46.554  1.00 46.31           N  
-ATOM  12834  CA  THR H 156      84.793 116.205  46.633  1.00 48.56           C  
-ATOM  12835  C   THR H 156      85.641 115.520  45.547  1.00 49.79           C  
-ATOM  12836  O   THR H 156      85.996 114.333  45.677  1.00 49.88           O  
-ATOM  12837  CB  THR H 156      83.341 115.586  46.649  1.00 48.58           C  
-ATOM  12838  OG1 THR H 156      82.461 116.320  45.780  1.00 48.76           O  
-ATOM  12839  CG2 THR H 156      82.689 115.704  48.043  1.00 49.19           C  
-ATOM  12840  N   GLU H 157      85.950 116.266  44.482  1.00 51.28           N  
-ATOM  12841  CA  GLU H 157      86.697 115.718  43.346  1.00 52.49           C  
-ATOM  12842  C   GLU H 157      88.143 116.200  43.354  1.00 52.83           C  
-ATOM  12843  O   GLU H 157      88.412 117.376  43.633  1.00 52.77           O  
-ATOM  12844  CB  GLU H 157      86.017 116.041  41.993  1.00 52.88           C  
-ATOM  12845  CG  GLU H 157      84.947 117.145  42.006  1.00 54.57           C  
-ATOM  12846  CD  GLU H 157      84.798 117.861  40.655  1.00 56.87           C  
-ATOM  12847  OE1 GLU H 157      84.628 117.169  39.612  1.00 56.63           O  
-ATOM  12848  OE2 GLU H 157      84.850 119.122  40.633  1.00 56.02           O  
-ATOM  12849  N   ASN H 158      89.071 115.290  43.056  1.00 53.10           N  
-ATOM  12850  CA  ASN H 158      90.468 115.679  42.916  1.00 53.32           C  
-ATOM  12851  C   ASN H 158      90.766 116.289  41.543  1.00 53.40           C  
-ATOM  12852  O   ASN H 158      90.287 115.779  40.519  1.00 53.37           O  
-ATOM  12853  CB  ASN H 158      91.395 114.500  43.203  1.00 53.62           C  
-ATOM  12854  CG  ASN H 158      92.096 114.626  44.547  1.00 53.84           C  
-ATOM  12855  OD1 ASN H 158      92.254 115.733  45.089  1.00 53.29           O  
-ATOM  12856  ND2 ASN H 158      92.511 113.491  45.098  1.00 53.48           N  
-ATOM  12857  N   SER H 159      91.536 117.388  41.529  1.00 53.02           N  
-ATOM  12858  CA  SER H 159      91.961 118.025  40.265  1.00 52.29           C  
-ATOM  12859  C   SER H 159      93.473 118.360  40.152  1.00 51.47           C  
-ATOM  12860  O   SER H 159      94.186 118.437  41.163  1.00 51.47           O  
-ATOM  12861  CB  SER H 159      91.070 119.227  39.939  1.00 52.55           C  
-ATOM  12862  OG  SER H 159      89.694 118.865  40.020  1.00 53.22           O  
-ATOM  12863  N   ASP H 160      93.939 118.536  38.910  1.00 50.23           N  
-ATOM  12864  CA  ASP H 160      95.335 118.860  38.580  1.00 48.82           C  
-ATOM  12865  C   ASP H 160      95.692 120.285  39.016  1.00 47.80           C  
-ATOM  12866  O   ASP H 160      94.938 121.240  38.740  1.00 48.09           O  
-ATOM  12867  CB  ASP H 160      95.547 118.691  37.066  1.00 49.12           C  
-ATOM  12868  CG  ASP H 160      97.011 118.849  36.627  1.00 48.89           C  
-ATOM  12869  OD1 ASP H 160      97.851 119.369  37.399  1.00 48.71           O  
-ATOM  12870  OD2 ASP H 160      97.402 118.481  35.492  1.00 48.79           O  
-ATOM  12871  N   ASP H 161      96.845 120.424  39.679  1.00 45.90           N  
-ATOM  12872  CA  ASP H 161      97.203 121.670  40.377  1.00 44.21           C  
-ATOM  12873  C   ASP H 161      97.669 122.770  39.430  1.00 42.81           C  
-ATOM  12874  O   ASP H 161      97.212 123.918  39.512  1.00 42.94           O  
-ATOM  12875  CB  ASP H 161      98.246 121.399  41.471  1.00 44.27           C  
-ATOM  12876  CG  ASP H 161      97.764 120.366  42.509  1.00 44.33           C  
-ATOM  12877  OD1 ASP H 161      96.526 120.207  42.659  1.00 42.76           O  
-ATOM  12878  OD2 ASP H 161      98.548 119.670  43.216  1.00 43.70           O  
-ATOM  12879  N   SER H 162      98.579 122.405  38.533  1.00 40.83           N  
-ATOM  12880  CA  SER H 162      99.063 123.283  37.465  1.00 38.69           C  
-ATOM  12881  C   SER H 162      98.201 123.131  36.193  1.00 37.31           C  
-ATOM  12882  O   SER H 162      98.711 123.252  35.060  1.00 38.01           O  
-ATOM  12883  CB  SER H 162     100.527 122.930  37.137  1.00 38.63           C  
-ATOM  12884  OG  SER H 162     101.431 123.530  38.043  1.00 38.08           O  
-ATOM  12885  N   GLU H 163      96.915 122.825  36.357  1.00 34.47           N  
-ATOM  12886  CA  GLU H 163      96.075 122.624  35.195  1.00 31.59           C  
-ATOM  12887  C   GLU H 163      95.824 124.006  34.608  1.00 29.55           C  
-ATOM  12888  O   GLU H 163      95.969 124.213  33.388  1.00 28.57           O  
-ATOM  12889  CB  GLU H 163      94.777 121.903  35.580  1.00 32.10           C  
-ATOM  12890  CG  GLU H 163      93.694 121.866  34.510  1.00 32.62           C  
-ATOM  12891  CD  GLU H 163      93.902 120.819  33.419  1.00 34.70           C  
-ATOM  12892  OE1 GLU H 163      94.925 120.098  33.396  1.00 35.35           O  
-ATOM  12893  OE2 GLU H 163      93.010 120.715  32.553  1.00 35.74           O  
-ATOM  12894  N   TYR H 164      95.486 124.953  35.489  1.00 26.63           N  
-ATOM  12895  CA  TYR H 164      95.291 126.319  35.067  1.00 24.50           C  
-ATOM  12896  C   TYR H 164      96.364 127.311  35.547  1.00 22.82           C  
-ATOM  12897  O   TYR H 164      96.263 128.521  35.296  1.00 22.03           O  
-ATOM  12898  CB  TYR H 164      93.859 126.763  35.409  1.00 25.78           C  
-ATOM  12899  CG  TYR H 164      92.834 125.742  34.946  1.00 26.41           C  
-ATOM  12900  CD1 TYR H 164      92.713 125.427  33.592  1.00 26.05           C  
-ATOM  12901  CD2 TYR H 164      92.007 125.078  35.869  1.00 28.38           C  
-ATOM  12902  CE1 TYR H 164      91.796 124.471  33.158  1.00 30.37           C  
-ATOM  12903  CE2 TYR H 164      91.070 124.124  35.449  1.00 28.68           C  
-ATOM  12904  CZ  TYR H 164      90.967 123.832  34.092  1.00 30.98           C  
-ATOM  12905  OH  TYR H 164      90.064 122.888  33.648  1.00 34.58           O  
-ATOM  12906  N   PHE H 165      97.401 126.822  36.212  1.00 21.26           N  
-ATOM  12907  CA  PHE H 165      98.471 127.719  36.643  1.00 19.53           C  
-ATOM  12908  C   PHE H 165      99.298 128.213  35.453  1.00 18.84           C  
-ATOM  12909  O   PHE H 165      99.681 127.438  34.570  1.00 18.34           O  
-ATOM  12910  CB  PHE H 165      99.354 127.063  37.701  1.00 19.21           C  
-ATOM  12911  CG  PHE H 165     100.261 128.020  38.409  1.00 18.35           C  
-ATOM  12912  CD1 PHE H 165      99.746 128.921  39.362  1.00 17.53           C  
-ATOM  12913  CD2 PHE H 165     101.617 128.060  38.108  1.00 16.99           C  
-ATOM  12914  CE1 PHE H 165     100.590 129.815  40.040  1.00 17.80           C  
-ATOM  12915  CE2 PHE H 165     102.466 128.950  38.759  1.00 17.28           C  
-ATOM  12916  CZ  PHE H 165     101.957 129.842  39.722  1.00 17.10           C  
-ATOM  12917  N   SER H 166      99.552 129.513  35.419  1.00 17.75           N  
-ATOM  12918  CA  SER H 166     100.284 130.111  34.304  1.00 17.20           C  
-ATOM  12919  C   SER H 166     101.692 129.562  34.118  1.00 16.67           C  
-ATOM  12920  O   SER H 166     102.471 129.530  35.066  1.00 15.66           O  
-ATOM  12921  CB  SER H 166     100.362 131.627  34.496  1.00 17.13           C  
-ATOM  12922  OG  SER H 166     101.198 132.200  33.521  1.00 16.95           O  
-ATOM  12923  N   GLN H 167     102.004 129.145  32.889  1.00 16.76           N  
-ATOM  12924  CA  GLN H 167     103.340 128.636  32.559  1.00 17.45           C  
-ATOM  12925  C   GLN H 167     104.375 129.779  32.544  1.00 17.26           C  
-ATOM  12926  O   GLN H 167     105.574 129.536  32.459  1.00 16.96           O  
-ATOM  12927  CB  GLN H 167     103.335 127.891  31.200  1.00 17.85           C  
-ATOM  12928  CG  GLN H 167     103.083 128.815  30.006  1.00 19.47           C  
-ATOM  12929  CD  GLN H 167     102.894 128.094  28.686  1.00 22.32           C  
-ATOM  12930  OE1 GLN H 167     103.857 127.592  28.092  1.00 22.72           O  
-ATOM  12931  NE2 GLN H 167     101.661 128.068  28.205  1.00 22.15           N  
-ATOM  12932  N   TYR H 168     103.900 131.026  32.645  1.00 17.32           N  
-ATOM  12933  CA  TYR H 168     104.776 132.194  32.518  1.00 16.95           C  
-ATOM  12934  C   TYR H 168     105.116 132.806  33.865  1.00 16.69           C  
-ATOM  12935  O   TYR H 168     105.985 133.667  33.962  1.00 16.88           O  
-ATOM  12936  CB  TYR H 168     104.180 133.231  31.571  1.00 17.07           C  
-ATOM  12937  CG  TYR H 168     103.925 132.674  30.192  1.00 17.04           C  
-ATOM  12938  CD1 TYR H 168     104.945 132.076  29.461  1.00 16.90           C  
-ATOM  12939  CD2 TYR H 168     102.659 132.703  29.637  1.00 16.87           C  
-ATOM  12940  CE1 TYR H 168     104.717 131.538  28.200  1.00 17.70           C  
-ATOM  12941  CE2 TYR H 168     102.419 132.160  28.369  1.00 16.78           C  
-ATOM  12942  CZ  TYR H 168     103.449 131.583  27.660  1.00 17.54           C  
-ATOM  12943  OH  TYR H 168     103.201 131.064  26.406  1.00 18.82           O  
-ATOM  12944  N   SER H 169     104.465 132.320  34.907  1.00 15.87           N  
-ATOM  12945  CA  SER H 169     104.857 132.635  36.267  1.00 15.69           C  
-ATOM  12946  C   SER H 169     106.343 132.339  36.573  1.00 15.80           C  
-ATOM  12947  O   SER H 169     106.973 131.472  35.971  1.00 15.33           O  
-ATOM  12948  CB  SER H 169     103.973 131.886  37.262  1.00 15.47           C  
-ATOM  12949  OG  SER H 169     104.207 132.354  38.588  1.00 15.42           O  
-ATOM  12950  N   ARG H 170     106.873 133.075  37.538  1.00 15.95           N  
-ATOM  12951  CA  ARG H 170     108.229 132.894  38.016  1.00 16.53           C  
-ATOM  12952  C   ARG H 170     108.272 131.714  38.986  1.00 15.86           C  
-ATOM  12953  O   ARG H 170     109.348 131.242  39.375  1.00 15.18           O  
-ATOM  12954  CB  ARG H 170     108.648 134.141  38.782  1.00 16.91           C  
-ATOM  12955  CG  ARG H 170     109.615 135.040  38.059  1.00 20.09           C  
-ATOM  12956  CD  ARG H 170     110.047 136.227  38.918  1.00 23.72           C  
-ATOM  12957  NE  ARG H 170     108.876 136.820  39.561  1.00 26.68           N  
-ATOM  12958  CZ  ARG H 170     108.910 137.645  40.606  1.00 27.84           C  
-ATOM  12959  NH1 ARG H 170     110.086 138.011  41.129  1.00 25.60           N  
-ATOM  12960  NH2 ARG H 170     107.759 138.112  41.111  1.00 25.62           N  
-ATOM  12961  N   PHE H 171     107.081 131.272  39.384  1.00 15.26           N  
-ATOM  12962  CA  PHE H 171     106.911 130.238  40.375  1.00 14.97           C  
-ATOM  12963  C   PHE H 171     106.263 129.006  39.765  1.00 15.20           C  
-ATOM  12964  O   PHE H 171     105.672 129.061  38.670  1.00 15.00           O  
-ATOM  12965  CB  PHE H 171     106.076 130.814  41.531  1.00 15.09           C  
-ATOM  12966  CG  PHE H 171     106.736 131.987  42.194  1.00 15.99           C  
-ATOM  12967  CD1 PHE H 171     106.497 133.292  41.738  1.00 14.15           C  
-ATOM  12968  CD2 PHE H 171     107.632 131.789  43.237  1.00 14.20           C  
-ATOM  12969  CE1 PHE H 171     107.136 134.357  42.291  1.00 12.10           C  
-ATOM  12970  CE2 PHE H 171     108.276 132.871  43.817  1.00 16.83           C  
-ATOM  12971  CZ  PHE H 171     108.030 134.161  43.330  1.00 16.08           C  
-ATOM  12972  N   GLU H 172     106.416 127.884  40.454  1.00 15.54           N  
-ATOM  12973  CA  GLU H 172     105.778 126.638  40.056  1.00 16.65           C  
-ATOM  12974  C   GLU H 172     105.147 126.033  41.288  1.00 16.77           C  
-ATOM  12975  O   GLU H 172     105.636 126.221  42.396  1.00 16.76           O  
-ATOM  12976  CB  GLU H 172     106.767 125.658  39.409  1.00 16.92           C  
-ATOM  12977  CG  GLU H 172     107.947 125.240  40.279  1.00 18.66           C  
-ATOM  12978  CD  GLU H 172     108.909 124.321  39.546  1.00 22.36           C  
-ATOM  12979  OE1 GLU H 172     108.487 123.746  38.520  1.00 24.82           O  
-ATOM  12980  OE2 GLU H 172     110.080 124.181  39.984  1.00 22.54           O  
-ATOM  12981  N   ILE H 173     104.045 125.331  41.083  1.00 17.15           N  
-ATOM  12982  CA  ILE H 173     103.321 124.722  42.178  1.00 17.95           C  
-ATOM  12983  C   ILE H 173     103.746 123.278  42.298  1.00 18.29           C  
-ATOM  12984  O   ILE H 173     103.755 122.553  41.324  1.00 18.11           O  
-ATOM  12985  CB  ILE H 173     101.814 124.824  41.932  1.00 18.22           C  
-ATOM  12986  CG1 ILE H 173     101.380 126.289  42.014  1.00 18.53           C  
-ATOM  12987  CG2 ILE H 173     101.021 123.932  42.919  1.00 18.19           C  
-ATOM  12988  CD1 ILE H 173      99.953 126.499  41.713  1.00 20.31           C  
-ATOM  12989  N   LEU H 174     104.116 122.882  43.507  1.00 18.79           N  
-ATOM  12990  CA  LEU H 174     104.546 121.517  43.769  1.00 19.24           C  
-ATOM  12991  C   LEU H 174     103.363 120.662  44.214  1.00 19.75           C  
-ATOM  12992  O   LEU H 174     103.275 119.480  43.843  1.00 19.71           O  
-ATOM  12993  CB  LEU H 174     105.657 121.491  44.825  1.00 18.98           C  
-ATOM  12994  CG  LEU H 174     106.910 122.301  44.479  1.00 19.41           C  
-ATOM  12995  CD1 LEU H 174     107.878 122.362  45.651  1.00 19.27           C  
-ATOM  12996  CD2 LEU H 174     107.598 121.747  43.228  1.00 18.78           C  
-ATOM  12997  N   ASP H 175     102.467 121.263  44.998  1.00 20.00           N  
-ATOM  12998  CA  ASP H 175     101.357 120.549  45.612  1.00 20.94           C  
-ATOM  12999  C   ASP H 175     100.315 121.497  46.216  1.00 20.92           C  
-ATOM  13000  O   ASP H 175     100.644 122.573  46.709  1.00 20.63           O  
-ATOM  13001  CB  ASP H 175     101.866 119.603  46.697  1.00 21.64           C  
-ATOM  13002  CG  ASP H 175     101.042 118.320  46.791  1.00 24.35           C  
-ATOM  13003  OD1 ASP H 175      99.949 118.236  46.160  1.00 26.29           O  
-ATOM  13004  OD2 ASP H 175     101.422 117.330  47.466  1.00 27.95           O  
-ATOM  13005  N   VAL H 176      99.055 121.093  46.137  1.00 21.21           N  
-ATOM  13006  CA  VAL H 176      97.978 121.779  46.819  1.00 21.96           C  
-ATOM  13007  C   VAL H 176      97.207 120.740  47.636  1.00 22.73           C  
-ATOM  13008  O   VAL H 176      96.740 119.740  47.097  1.00 22.83           O  
-ATOM  13009  CB  VAL H 176      97.027 122.522  45.844  1.00 21.81           C  
-ATOM  13010  CG1 VAL H 176      95.971 123.282  46.613  1.00 21.12           C  
-ATOM  13011  CG2 VAL H 176      97.796 123.473  44.935  1.00 20.95           C  
-ATOM  13012  N   THR H 177      97.116 120.957  48.944  1.00 23.30           N  
-ATOM  13013  CA  THR H 177      96.278 120.107  49.798  1.00 23.83           C  
-ATOM  13014  C   THR H 177      95.238 120.982  50.502  1.00 23.70           C  
-ATOM  13015  O   THR H 177      95.504 122.146  50.793  1.00 23.30           O  
-ATOM  13016  CB  THR H 177      97.115 119.274  50.808  1.00 23.87           C  
-ATOM  13017  OG1 THR H 177      97.998 120.125  51.540  1.00 24.99           O  
-ATOM  13018  CG2 THR H 177      98.084 118.305  50.099  1.00 24.60           C  
-ATOM  13019  N   GLN H 178      94.029 120.458  50.686  1.00 23.47           N  
-ATOM  13020  CA  GLN H 178      93.009 121.170  51.463  1.00 23.89           C  
-ATOM  13021  C   GLN H 178      92.617 120.330  52.662  1.00 23.57           C  
-ATOM  13022  O   GLN H 178      92.681 119.095  52.622  1.00 23.02           O  
-ATOM  13023  CB  GLN H 178      91.794 121.534  50.605  1.00 24.50           C  
-ATOM  13024  CG  GLN H 178      92.110 122.522  49.440  1.00 26.99           C  
-ATOM  13025  CD  GLN H 178      90.895 122.921  48.550  1.00 31.43           C  
-ATOM  13026  OE1 GLN H 178      89.792 122.339  48.651  1.00 29.94           O  
-ATOM  13027  NE2 GLN H 178      91.113 123.924  47.668  1.00 30.62           N  
-ATOM  13028  N   LYS H 179      92.248 121.003  53.746  1.00 23.20           N  
-ATOM  13029  CA  LYS H 179      91.739 120.321  54.951  1.00 21.92           C  
-ATOM  13030  C   LYS H 179      90.674 121.219  55.613  1.00 21.43           C  
-ATOM  13031  O   LYS H 179      90.752 122.444  55.514  1.00 21.17           O  
-ATOM  13032  CB  LYS H 179      92.894 119.911  55.881  1.00 21.44           C  
-ATOM  13033  CG  LYS H 179      93.287 120.878  57.002  1.00 23.45           C  
-ATOM  13034  CD  LYS H 179      94.266 120.245  58.022  1.00 24.43           C  
-ATOM  13035  CE  LYS H 179      93.573 119.864  59.352  1.00 23.03           C  
-ATOM  13036  NZ  LYS H 179      94.509 119.958  60.530  1.00 21.28           N  
-ATOM  13037  N   LYS H 180      89.649 120.625  56.219  1.00 20.79           N  
-ATOM  13038  CA  LYS H 180      88.638 121.425  56.914  1.00 20.11           C  
-ATOM  13039  C   LYS H 180      88.855 121.457  58.426  1.00 19.59           C  
-ATOM  13040  O   LYS H 180      89.473 120.563  58.985  1.00 18.83           O  
-ATOM  13041  CB  LYS H 180      87.208 121.001  56.541  1.00 20.02           C  
-ATOM  13042  CG  LYS H 180      86.811 119.609  56.995  1.00 20.10           C  
-ATOM  13043  CD  LYS H 180      85.319 119.504  57.036  1.00 19.03           C  
-ATOM  13044  CE  LYS H 180      84.711 120.492  58.018  1.00 16.85           C  
-ATOM  13045  NZ  LYS H 180      83.259 120.636  57.674  1.00 14.47           N  
-ATOM  13046  N   ASN H 181      88.377 122.515  59.068  1.00 19.45           N  
-ATOM  13047  CA  ASN H 181      88.547 122.669  60.501  1.00 19.90           C  
-ATOM  13048  C   ASN H 181      87.247 123.205  61.057  1.00 20.09           C  
-ATOM  13049  O   ASN H 181      86.379 123.597  60.293  1.00 20.47           O  
-ATOM  13050  CB  ASN H 181      89.692 123.647  60.825  1.00 19.54           C  
-ATOM  13051  CG  ASN H 181      91.035 123.231  60.212  1.00 20.97           C  
-ATOM  13052  OD1 ASN H 181      91.676 122.257  60.647  1.00 22.42           O  
-ATOM  13053  ND2 ASN H 181      91.463 123.966  59.188  1.00 20.87           N  
-ATOM  13054  N   SER H 182      87.120 123.191  62.383  1.00 20.51           N  
-ATOM  13055  CA  SER H 182      86.042 123.838  63.119  1.00 20.48           C  
-ATOM  13056  C   SER H 182      86.693 124.666  64.241  1.00 20.38           C  
-ATOM  13057  O   SER H 182      87.301 124.095  65.146  1.00 19.90           O  
-ATOM  13058  CB  SER H 182      85.124 122.769  63.725  1.00 21.03           C  
-ATOM  13059  OG  SER H 182      83.764 123.171  63.840  1.00 23.01           O  
-ATOM  13060  N   VAL H 183      86.584 126.002  64.182  1.00 20.29           N  
-ATOM  13061  CA  VAL H 183      87.182 126.849  65.228  1.00 19.75           C  
-ATOM  13062  C   VAL H 183      86.187 127.692  66.033  1.00 19.70           C  
-ATOM  13063  O   VAL H 183      85.218 128.195  65.495  1.00 20.06           O  
-ATOM  13064  CB  VAL H 183      88.317 127.743  64.686  1.00 19.70           C  
-ATOM  13065  CG1 VAL H 183      88.993 128.478  65.816  1.00 18.73           C  
-ATOM  13066  CG2 VAL H 183      89.349 126.903  63.955  1.00 19.95           C  
-ATOM  13067  N   THR H 184      86.471 127.832  67.327  1.00 19.77           N  
-ATOM  13068  CA  THR H 184      85.706 128.626  68.276  1.00 19.83           C  
-ATOM  13069  C   THR H 184      86.509 129.888  68.613  1.00 20.00           C  
-ATOM  13070  O   THR H 184      87.592 129.807  69.203  1.00 19.57           O  
-ATOM  13071  CB  THR H 184      85.436 127.803  69.570  1.00 19.91           C  
-ATOM  13072  OG1 THR H 184      84.863 126.531  69.237  1.00 20.38           O  
-ATOM  13073  CG2 THR H 184      84.356 128.447  70.426  1.00 19.67           C  
-ATOM  13074  N   TYR H 185      85.976 131.044  68.212  1.00 19.75           N  
-ATOM  13075  CA  TYR H 185      86.576 132.345  68.508  1.00 20.17           C  
-ATOM  13076  C   TYR H 185      86.103 132.885  69.822  1.00 20.83           C  
-ATOM  13077  O   TYR H 185      85.029 132.530  70.275  1.00 20.51           O  
-ATOM  13078  CB  TYR H 185      86.271 133.335  67.382  1.00 20.23           C  
-ATOM  13079  CG  TYR H 185      86.806 132.781  66.124  1.00 18.45           C  
-ATOM  13080  CD1 TYR H 185      85.979 132.148  65.211  1.00 19.04           C  
-ATOM  13081  CD2 TYR H 185      88.161 132.785  65.897  1.00 18.27           C  
-ATOM  13082  CE1 TYR H 185      86.507 131.595  64.057  1.00 20.06           C  
-ATOM  13083  CE2 TYR H 185      88.689 132.250  64.771  1.00 18.75           C  
-ATOM  13084  CZ  TYR H 185      87.871 131.646  63.863  1.00 18.58           C  
-ATOM  13085  OH  TYR H 185      88.442 131.093  62.759  1.00 22.01           O  
-ATOM  13086  N   SER H 186      86.911 133.741  70.437  1.00 22.05           N  
-ATOM  13087  CA  SER H 186      86.572 134.284  71.751  1.00 23.41           C  
-ATOM  13088  C   SER H 186      85.396 135.266  71.711  1.00 23.90           C  
-ATOM  13089  O   SER H 186      84.810 135.578  72.740  1.00 24.25           O  
-ATOM  13090  CB  SER H 186      87.810 134.904  72.422  1.00 23.89           C  
-ATOM  13091  OG  SER H 186      88.842 133.928  72.598  1.00 24.54           O  
-ATOM  13092  N   CYS H 187      85.050 135.750  70.523  1.00 24.49           N  
-ATOM  13093  CA  CYS H 187      83.916 136.651  70.377  1.00 25.02           C  
-ATOM  13094  C   CYS H 187      82.615 135.933  70.723  1.00 25.43           C  
-ATOM  13095  O   CYS H 187      81.802 136.438  71.492  1.00 25.77           O  
-ATOM  13096  CB  CYS H 187      83.841 137.191  68.947  1.00 25.28           C  
-ATOM  13097  SG  CYS H 187      83.370 135.961  67.703  1.00 24.46           S  
-ATOM  13098  N   CYS H 188      82.469 134.724  70.181  1.00 25.37           N  
-ATOM  13099  CA  CYS H 188      81.201 134.013  70.110  1.00 25.11           C  
-ATOM  13100  C   CYS H 188      81.292 132.563  70.665  1.00 24.35           C  
-ATOM  13101  O   CYS H 188      82.368 131.972  70.681  1.00 24.37           O  
-ATOM  13102  CB  CYS H 188      80.778 134.031  68.650  1.00 25.43           C  
-ATOM  13103  SG  CYS H 188      81.342 135.527  67.735  1.00 28.62           S  
-ATOM  13104  N   PRO H 189      80.192 131.992  71.155  1.00 23.33           N  
-ATOM  13105  CA  PRO H 189      80.248 130.638  71.720  1.00 22.40           C  
-ATOM  13106  C   PRO H 189      80.179 129.485  70.695  1.00 21.59           C  
-ATOM  13107  O   PRO H 189      80.439 128.349  71.083  1.00 21.44           O  
-ATOM  13108  CB  PRO H 189      79.046 130.609  72.663  1.00 22.16           C  
-ATOM  13109  CG  PRO H 189      78.078 131.580  72.085  1.00 22.62           C  
-ATOM  13110  CD  PRO H 189      78.842 132.575  71.266  1.00 23.41           C  
-ATOM  13111  N   GLU H 190      79.863 129.759  69.429  1.00 20.66           N  
-ATOM  13112  CA  GLU H 190      79.647 128.675  68.455  1.00 20.00           C  
-ATOM  13113  C   GLU H 190      80.898 128.386  67.607  1.00 18.57           C  
-ATOM  13114  O   GLU H 190      81.766 129.234  67.495  1.00 18.69           O  
-ATOM  13115  CB  GLU H 190      78.397 128.942  67.586  1.00 20.33           C  
-ATOM  13116  CG  GLU H 190      77.102 129.217  68.364  1.00 22.20           C  
-ATOM  13117  CD  GLU H 190      76.113 128.050  68.375  1.00 25.58           C  
-ATOM  13118  OE1 GLU H 190      76.495 126.914  68.017  1.00 27.10           O  
-ATOM  13119  OE2 GLU H 190      74.926 128.260  68.740  1.00 28.42           O  
-ATOM  13120  N   ALA H 191      81.001 127.172  67.060  1.00 17.16           N  
-ATOM  13121  CA  ALA H 191      82.128 126.777  66.203  1.00 16.20           C  
-ATOM  13122  C   ALA H 191      81.884 127.202  64.767  1.00 15.54           C  
-ATOM  13123  O   ALA H 191      80.763 127.052  64.251  1.00 14.79           O  
-ATOM  13124  CB  ALA H 191      82.358 125.268  66.274  1.00 16.05           C  
-ATOM  13125  N   TYR H 192      82.926 127.727  64.129  1.00 15.32           N  
-ATOM  13126  CA  TYR H 192      82.877 128.165  62.740  1.00 15.75           C  
-ATOM  13127  C   TYR H 192      83.795 127.302  61.889  1.00 16.55           C  
-ATOM  13128  O   TYR H 192      84.937 127.033  62.282  1.00 16.55           O  
-ATOM  13129  CB  TYR H 192      83.338 129.620  62.612  1.00 15.27           C  
-ATOM  13130  CG  TYR H 192      82.396 130.577  63.274  1.00 15.43           C  
-ATOM  13131  CD1 TYR H 192      82.453 130.796  64.647  1.00 15.57           C  
-ATOM  13132  CD2 TYR H 192      81.404 131.204  62.549  1.00 14.58           C  
-ATOM  13133  CE1 TYR H 192      81.558 131.661  65.268  1.00 16.23           C  
-ATOM  13134  CE2 TYR H 192      80.495 132.056  63.154  1.00 15.49           C  
-ATOM  13135  CZ  TYR H 192      80.585 132.284  64.508  1.00 15.92           C  
-ATOM  13136  OH  TYR H 192      79.699 133.139  65.107  1.00 17.45           O  
-ATOM  13137  N   GLU H 193      83.304 126.901  60.715  1.00 16.99           N  
-ATOM  13138  CA  GLU H 193      84.052 125.956  59.887  1.00 17.85           C  
-ATOM  13139  C   GLU H 193      84.929 126.719  58.920  1.00 18.33           C  
-ATOM  13140  O   GLU H 193      84.550 127.799  58.446  1.00 17.81           O  
-ATOM  13141  CB  GLU H 193      83.121 124.984  59.165  1.00 17.53           C  
-ATOM  13142  CG  GLU H 193      82.442 124.005  60.115  1.00 17.89           C  
-ATOM  13143  CD  GLU H 193      81.749 122.854  59.409  1.00 19.55           C  
-ATOM  13144  OE1 GLU H 193      81.935 122.709  58.185  1.00 19.87           O  
-ATOM  13145  OE2 GLU H 193      81.049 122.060  60.087  1.00 21.47           O  
-ATOM  13146  N   ASP H 194      86.107 126.167  58.648  1.00 19.04           N  
-ATOM  13147  CA  ASP H 194      86.946 126.727  57.600  1.00 20.16           C  
-ATOM  13148  C   ASP H 194      87.596 125.631  56.784  1.00 19.52           C  
-ATOM  13149  O   ASP H 194      87.654 124.487  57.218  1.00 19.11           O  
-ATOM  13150  CB  ASP H 194      88.007 127.653  58.191  1.00 20.61           C  
-ATOM  13151  CG  ASP H 194      89.033 126.907  59.064  1.00 24.71           C  
-ATOM  13152  OD1 ASP H 194      89.839 126.118  58.502  1.00 27.62           O  
-ATOM  13153  OD2 ASP H 194      89.122 127.084  60.318  1.00 29.13           O  
-ATOM  13154  N   VAL H 195      88.038 125.999  55.584  1.00 18.88           N  
-ATOM  13155  CA  VAL H 195      88.948 125.163  54.810  1.00 19.44           C  
-ATOM  13156  C   VAL H 195      90.314 125.804  54.791  1.00 18.84           C  
-ATOM  13157  O   VAL H 195      90.416 126.985  54.490  1.00 18.69           O  
-ATOM  13158  CB  VAL H 195      88.459 124.923  53.380  1.00 19.48           C  
-ATOM  13159  CG1 VAL H 195      89.546 124.176  52.603  1.00 20.89           C  
-ATOM  13160  CG2 VAL H 195      87.194 124.061  53.405  1.00 20.48           C  
-ATOM  13161  N   GLU H 196      91.339 125.043  55.161  1.00 18.42           N  
-ATOM  13162  CA  GLU H 196      92.732 125.460  55.009  1.00 18.93           C  
-ATOM  13163  C   GLU H 196      93.334 124.914  53.728  1.00 18.35           C  
-ATOM  13164  O   GLU H 196      93.451 123.698  53.551  1.00 18.19           O  
-ATOM  13165  CB  GLU H 196      93.586 125.070  56.221  1.00 18.79           C  
-ATOM  13166  CG  GLU H 196      93.524 126.136  57.316  1.00 23.20           C  
-ATOM  13167  CD  GLU H 196      94.137 125.722  58.660  1.00 28.02           C  
-ATOM  13168  OE1 GLU H 196      94.780 124.637  58.769  1.00 28.75           O  
-ATOM  13169  OE2 GLU H 196      93.971 126.517  59.628  1.00 28.65           O  
-ATOM  13170  N   VAL H 197      93.715 125.822  52.843  1.00 17.70           N  
-ATOM  13171  CA  VAL H 197      94.349 125.439  51.576  1.00 17.58           C  
-ATOM  13172  C   VAL H 197      95.851 125.674  51.655  1.00 17.24           C  
-ATOM  13173  O   VAL H 197      96.305 126.814  51.797  1.00 16.78           O  
-ATOM  13174  CB  VAL H 197      93.722 126.194  50.357  1.00 17.51           C  
-ATOM  13175  CG1 VAL H 197      94.382 125.796  49.035  1.00 16.92           C  
-ATOM  13176  CG2 VAL H 197      92.231 125.932  50.292  1.00 17.99           C  
-ATOM  13177  N   SER H 198      96.606 124.593  51.536  1.00 16.66           N  
-ATOM  13178  CA  SER H 198      98.052 124.650  51.618  1.00 17.16           C  
-ATOM  13179  C   SER H 198      98.677 124.628  50.227  1.00 17.20           C  
-ATOM  13180  O   SER H 198      98.598 123.618  49.509  1.00 16.81           O  
-ATOM  13181  CB  SER H 198      98.605 123.492  52.477  1.00 17.28           C  
-ATOM  13182  OG  SER H 198      98.273 123.702  53.839  1.00 19.05           O  
-ATOM  13183  N   LEU H 199      99.297 125.751  49.868  1.00 16.69           N  
-ATOM  13184  CA  LEU H 199      99.933 125.914  48.581  1.00 16.60           C  
-ATOM  13185  C   LEU H 199     101.423 125.717  48.751  1.00 16.17           C  
-ATOM  13186  O   LEU H 199     102.079 126.534  49.389  1.00 16.17           O  
-ATOM  13187  CB  LEU H 199      99.649 127.310  48.020  1.00 16.74           C  
-ATOM  13188  CG  LEU H 199     100.329 127.753  46.712  1.00 17.80           C  
-ATOM  13189  CD1 LEU H 199      99.871 126.922  45.538  1.00 17.97           C  
-ATOM  13190  CD2 LEU H 199     100.028 129.248  46.463  1.00 18.69           C  
-ATOM  13191  N   ASN H 200     101.931 124.625  48.184  1.00 15.64           N  
-ATOM  13192  CA  ASN H 200     103.363 124.295  48.202  1.00 15.49           C  
-ATOM  13193  C   ASN H 200     103.960 124.709  46.865  1.00 14.65           C  
-ATOM  13194  O   ASN H 200     103.603 124.162  45.819  1.00 14.21           O  
-ATOM  13195  CB  ASN H 200     103.571 122.800  48.486  1.00 15.39           C  
-ATOM  13196  CG  ASN H 200     105.050 122.410  48.637  1.00 16.80           C  
-ATOM  13197  OD1 ASN H 200     105.422 121.278  48.340  1.00 17.42           O  
-ATOM  13198  ND2 ASN H 200     105.883 123.340  49.090  1.00 17.94           N  
-ATOM  13199  N   PHE H 201     104.828 125.716  46.901  1.00 13.72           N  
-ATOM  13200  CA  PHE H 201     105.326 126.320  45.671  1.00 13.58           C  
-ATOM  13201  C   PHE H 201     106.772 126.770  45.799  1.00 12.91           C  
-ATOM  13202  O   PHE H 201     107.299 126.916  46.882  1.00 12.87           O  
-ATOM  13203  CB  PHE H 201     104.439 127.492  45.257  1.00 13.55           C  
-ATOM  13204  CG  PHE H 201     104.620 128.728  46.114  1.00 14.81           C  
-ATOM  13205  CD1 PHE H 201     104.050 128.809  47.375  1.00 14.94           C  
-ATOM  13206  CD2 PHE H 201     105.328 129.817  45.640  1.00 15.68           C  
-ATOM  13207  CE1 PHE H 201     104.180 129.966  48.170  1.00 15.80           C  
-ATOM  13208  CE2 PHE H 201     105.477 130.978  46.424  1.00 16.21           C  
-ATOM  13209  CZ  PHE H 201     104.908 131.046  47.704  1.00 15.94           C  
-ATOM  13210  N   ARG H 202     107.407 127.019  44.670  1.00 12.90           N  
-ATOM  13211  CA  ARG H 202     108.795 127.437  44.680  1.00 12.48           C  
-ATOM  13212  C   ARG H 202     109.143 128.210  43.429  1.00 11.85           C  
-ATOM  13213  O   ARG H 202     108.381 128.219  42.480  1.00 10.29           O  
-ATOM  13214  CB  ARG H 202     109.709 126.235  44.829  1.00 12.27           C  
-ATOM  13215  CG  ARG H 202     109.785 125.400  43.608  1.00 13.15           C  
-ATOM  13216  CD  ARG H 202     110.947 124.439  43.638  1.00 13.25           C  
-ATOM  13217  NE  ARG H 202     110.959 123.661  42.422  1.00 12.26           N  
-ATOM  13218  CZ  ARG H 202     111.330 122.389  42.342  1.00 16.09           C  
-ATOM  13219  NH1 ARG H 202     111.746 121.721  43.425  1.00 14.64           N  
-ATOM  13220  NH2 ARG H 202     111.302 121.780  41.155  1.00 16.08           N  
-ATOM  13221  N   LYS H 203     110.296 128.868  43.476  1.00 12.33           N  
-ATOM  13222  CA  LYS H 203     110.797 129.672  42.376  1.00 13.45           C  
-ATOM  13223  C   LYS H 203     111.469 128.794  41.349  1.00 13.63           C  
-ATOM  13224  O   LYS H 203     112.252 127.885  41.697  1.00 13.51           O  
-ATOM  13225  CB  LYS H 203     111.794 130.697  42.896  1.00 14.52           C  
-ATOM  13226  CG  LYS H 203     111.944 131.937  42.027  1.00 16.12           C  
-ATOM  13227  CD  LYS H 203     112.267 133.163  42.892  1.00 20.17           C  
-ATOM  13228  CE  LYS H 203     112.741 134.325  42.038  1.00 22.29           C  
-ATOM  13229  NZ  LYS H 203     114.154 134.132  41.558  1.00 23.46           N  
-ATOM  13230  N   LYS H 204     111.175 129.074  40.084  1.00 13.77           N  
-ATOM  13231  CA  LYS H 204     111.674 128.280  38.975  1.00 13.62           C  
-ATOM  13232  C   LYS H 204     113.136 128.603  38.691  1.00 14.29           C  
-ATOM  13233  O   LYS H 204     113.659 129.588  39.209  1.00 14.26           O  
-ATOM  13234  CB  LYS H 204     110.850 128.556  37.737  1.00 13.91           C  
-ATOM  13235  CG  LYS H 204     109.454 127.942  37.742  1.00 14.29           C  
-ATOM  13236  CD  LYS H 204     109.082 127.550  36.316  1.00 14.10           C  
-ATOM  13237  CE  LYS H 204     107.794 128.219  35.872  1.00 12.79           C  
-ATOM  13238  NZ  LYS H 204     107.971 129.183  34.749  1.00 11.76           N  
-ATOM  13239  N   GLY H 205     113.789 127.764  37.878  1.00 14.44           N  
-ATOM  13240  CA  GLY H 205     115.176 127.961  37.471  1.00 14.64           C  
-ATOM  13241  C   GLY H 205     116.193 128.034  38.595  1.00 14.37           C  
-ATOM  13242  O   GLY H 205     115.531 129.175  36.710  1.00 20.00           O  
-TER   13243      GLY H 205                                                      
-ATOM  13244  N   GLU I   0      55.782 132.135  65.897  1.00 21.21           N  
-ATOM  13245  CA  GLU I   0      56.701 131.432  64.912  1.00 22.98           C  
-ATOM  13246  C   GLU I   0      57.083 132.182  63.583  1.00 22.79           C  
-ATOM  13247  O   GLU I   0      56.209 132.547  62.782  1.00 23.15           O  
-ATOM  13248  CB  GLU I   0      56.198 130.004  64.605  1.00 22.30           C  
-ATOM  13249  CG  GLU I   0      57.124 129.218  63.685  1.00 24.58           C  
-ATOM  13250  CD  GLU I   0      56.837 127.714  63.588  1.00 28.96           C  
-ATOM  13251  OE1 GLU I   0      55.667 127.286  63.792  1.00 30.03           O  
-ATOM  13252  OE2 GLU I   0      57.795 126.949  63.274  1.00 29.83           O  
-ATOM  13253  N   PHE I   1      58.387 132.356  63.361  1.00 22.45           N  
-ATOM  13254  CA  PHE I   1      58.959 132.989  62.179  1.00 22.30           C  
-ATOM  13255  C   PHE I   1      60.095 132.106  61.664  1.00 21.67           C  
-ATOM  13256  O   PHE I   1      60.822 131.530  62.461  1.00 21.68           O  
-ATOM  13257  CB  PHE I   1      59.589 134.343  62.543  1.00 22.39           C  
-ATOM  13258  CG  PHE I   1      58.673 135.273  63.282  1.00 24.51           C  
-ATOM  13259  CD1 PHE I   1      57.606 135.891  62.636  1.00 26.37           C  
-ATOM  13260  CD2 PHE I   1      58.884 135.535  64.628  1.00 25.85           C  
-ATOM  13261  CE1 PHE I   1      56.746 136.759  63.328  1.00 28.17           C  
-ATOM  13262  CE2 PHE I   1      58.051 136.398  65.332  1.00 27.00           C  
-ATOM  13263  CZ  PHE I   1      56.974 137.015  64.686  1.00 28.42           C  
-ATOM  13264  N   ASP I   2      60.268 132.019  60.348  1.00 20.80           N  
-ATOM  13265  CA  ASP I   2      61.509 131.477  59.807  1.00 20.20           C  
-ATOM  13266  C   ASP I   2      62.477 132.610  59.513  1.00 19.09           C  
-ATOM  13267  O   ASP I   2      62.118 133.782  59.713  1.00 18.86           O  
-ATOM  13268  CB  ASP I   2      61.244 130.575  58.582  1.00 20.75           C  
-ATOM  13269  CG  ASP I   2      60.626 131.325  57.394  1.00 22.06           C  
-ATOM  13270  OD1 ASP I   2      60.690 132.586  57.329  1.00 22.63           O  
-ATOM  13271  OD2 ASP I   2      60.078 130.706  56.449  1.00 23.97           O  
-ATOM  13272  N   ARG I   3      63.685 132.268  59.061  1.00 18.18           N  
-ATOM  13273  CA  ARG I   3      64.732 133.258  58.797  1.00 17.59           C  
-ATOM  13274  C   ARG I   3      64.265 134.299  57.814  1.00 16.73           C  
-ATOM  13275  O   ARG I   3      64.500 135.473  58.013  1.00 17.00           O  
-ATOM  13276  CB  ARG I   3      66.009 132.593  58.290  1.00 17.67           C  
-ATOM  13277  CG  ARG I   3      66.962 132.208  59.392  1.00 18.53           C  
-ATOM  13278  CD  ARG I   3      67.970 131.137  59.018  1.00 19.16           C  
-ATOM  13279  NE  ARG I   3      68.755 130.779  60.184  1.00 22.03           N  
-ATOM  13280  CZ  ARG I   3      68.576 129.676  60.910  1.00 25.68           C  
-ATOM  13281  NH1 ARG I   3      67.632 128.801  60.587  1.00 27.30           N  
-ATOM  13282  NH2 ARG I   3      69.360 129.445  61.959  1.00 25.96           N  
-ATOM  13283  N   ALA I   4      63.598 133.855  56.763  1.00 15.66           N  
-ATOM  13284  CA  ALA I   4      63.099 134.725  55.723  1.00 15.46           C  
-ATOM  13285  C   ALA I   4      62.144 135.788  56.286  1.00 15.29           C  
-ATOM  13286  O   ALA I   4      62.234 136.953  55.914  1.00 15.26           O  
-ATOM  13287  CB  ALA I   4      62.437 133.909  54.624  1.00 15.06           C  
-ATOM  13288  N   ASP I   5      61.270 135.396  57.208  1.00 15.22           N  
-ATOM  13289  CA  ASP I   5      60.348 136.337  57.859  1.00 16.15           C  
-ATOM  13290  C   ASP I   5      61.091 137.347  58.746  1.00 15.30           C  
-ATOM  13291  O   ASP I   5      60.774 138.531  58.733  1.00 15.20           O  
-ATOM  13292  CB  ASP I   5      59.318 135.606  58.716  1.00 16.80           C  
-ATOM  13293  CG  ASP I   5      58.445 134.643  57.921  1.00 20.58           C  
-ATOM  13294  OD1 ASP I   5      58.186 134.883  56.709  1.00 24.06           O  
-ATOM  13295  OD2 ASP I   5      57.945 133.622  58.445  1.00 24.67           O  
-ATOM  13296  N   ILE I   6      62.062 136.870  59.520  1.00 14.62           N  
-ATOM  13297  CA  ILE I   6      62.822 137.756  60.413  1.00 14.39           C  
-ATOM  13298  C   ILE I   6      63.558 138.815  59.571  1.00 14.33           C  
-ATOM  13299  O   ILE I   6      63.471 140.002  59.864  1.00 12.84           O  
-ATOM  13300  CB  ILE I   6      63.800 136.961  61.296  1.00 14.26           C  
-ATOM  13301  CG1 ILE I   6      63.048 135.985  62.221  1.00 13.95           C  
-ATOM  13302  CG2 ILE I   6      64.677 137.866  62.119  1.00 13.48           C  
-ATOM  13303  CD1 ILE I   6      63.948 134.782  62.699  1.00 12.14           C  
-ATOM  13304  N   LEU I   7      64.223 138.352  58.496  1.00 14.64           N  
-ATOM  13305  CA  LEU I   7      65.003 139.239  57.640  1.00 15.43           C  
-ATOM  13306  C   LEU I   7      64.128 140.229  56.886  1.00 15.31           C  
-ATOM  13307  O   LEU I   7      64.452 141.401  56.801  1.00 14.56           O  
-ATOM  13308  CB  LEU I   7      65.944 138.448  56.721  1.00 15.76           C  
-ATOM  13309  CG  LEU I   7      67.108 137.862  57.520  1.00 17.11           C  
-ATOM  13310  CD1 LEU I   7      67.651 136.549  56.906  1.00 18.35           C  
-ATOM  13311  CD2 LEU I   7      68.181 138.936  57.682  1.00 18.57           C  
-ATOM  13312  N   TYR I   8      62.981 139.756  56.409  1.00 15.93           N  
-ATOM  13313  CA  TYR I   8      62.004 140.621  55.762  1.00 16.67           C  
-ATOM  13314  C   TYR I   8      61.530 141.686  56.747  1.00 16.16           C  
-ATOM  13315  O   TYR I   8      61.485 142.866  56.421  1.00 15.67           O  
-ATOM  13316  CB  TYR I   8      60.811 139.794  55.287  1.00 17.44           C  
-ATOM  13317  CG  TYR I   8      59.699 140.583  54.632  1.00 20.86           C  
-ATOM  13318  CD1 TYR I   8      59.853 141.117  53.346  1.00 24.41           C  
-ATOM  13319  CD2 TYR I   8      58.486 140.784  55.289  1.00 23.26           C  
-ATOM  13320  CE1 TYR I   8      58.817 141.842  52.740  1.00 26.28           C  
-ATOM  13321  CE2 TYR I   8      57.447 141.510  54.694  1.00 25.42           C  
-ATOM  13322  CZ  TYR I   8      57.622 142.033  53.428  1.00 26.87           C  
-ATOM  13323  OH  TYR I   8      56.599 142.727  52.836  1.00 28.56           O  
-ATOM  13324  N   ASN I   9      61.177 141.267  57.952  1.00 15.71           N  
-ATOM  13325  CA  ASN I   9      60.658 142.217  58.918  1.00 16.21           C  
-ATOM  13326  C   ASN I   9      61.700 143.295  59.299  1.00 15.93           C  
-ATOM  13327  O   ASN I   9      61.356 144.462  59.389  1.00 15.02           O  
-ATOM  13328  CB  ASN I   9      60.056 141.541  60.144  1.00 16.07           C  
-ATOM  13329  CG  ASN I   9      58.738 140.794  59.843  1.00 18.08           C  
-ATOM  13330  OD1 ASN I   9      58.090 140.963  58.791  1.00 18.87           O  
-ATOM  13331  ND2 ASN I   9      58.351 139.931  60.777  1.00 17.47           N  
-ATOM  13332  N   ILE I  10      62.954 142.880  59.462  1.00 15.97           N  
-ATOM  13333  CA  ILE I  10      64.051 143.796  59.718  1.00 15.78           C  
-ATOM  13334  C   ILE I  10      64.212 144.768  58.552  1.00 16.65           C  
-ATOM  13335  O   ILE I  10      64.305 145.969  58.776  1.00 15.70           O  
-ATOM  13336  CB  ILE I  10      65.369 143.044  60.021  1.00 15.89           C  
-ATOM  13337  CG1 ILE I  10      65.310 142.426  61.423  1.00 15.15           C  
-ATOM  13338  CG2 ILE I  10      66.566 143.961  59.923  1.00 15.10           C  
-ATOM  13339  CD1 ILE I  10      66.367 141.390  61.694  1.00 13.12           C  
-ATOM  13340  N   ARG I  11      64.260 144.254  57.325  1.00 17.20           N  
-ATOM  13341  CA  ARG I  11      64.461 145.101  56.162  1.00 18.50           C  
-ATOM  13342  C   ARG I  11      63.354 146.168  56.083  1.00 18.44           C  
-ATOM  13343  O   ARG I  11      63.638 147.330  55.792  1.00 18.26           O  
-ATOM  13344  CB  ARG I  11      64.501 144.240  54.880  1.00 19.20           C  
-ATOM  13345  CG  ARG I  11      65.131 144.937  53.664  1.00 23.93           C  
-ATOM  13346  CD  ARG I  11      65.615 143.991  52.549  1.00 33.75           C  
-ATOM  13347  NE  ARG I  11      66.432 144.683  51.528  1.00 40.19           N  
-ATOM  13348  CZ  ARG I  11      66.371 144.443  50.203  1.00 42.41           C  
-ATOM  13349  NH1 ARG I  11      65.543 143.520  49.720  1.00 42.27           N  
-ATOM  13350  NH2 ARG I  11      67.146 145.117  49.355  1.00 42.26           N  
-ATOM  13351  N   GLN I  12      62.104 145.761  56.348  1.00 18.66           N  
-ATOM  13352  CA  GLN I  12      60.940 146.646  56.256  1.00 18.75           C  
-ATOM  13353  C   GLN I  12      60.832 147.689  57.386  1.00 18.52           C  
-ATOM  13354  O   GLN I  12      60.340 148.815  57.160  1.00 18.64           O  
-ATOM  13355  CB  GLN I  12      59.651 145.819  56.144  1.00 19.26           C  
-ATOM  13356  CG  GLN I  12      59.404 145.140  54.777  1.00 20.50           C  
-ATOM  13357  CD  GLN I  12      59.760 146.026  53.567  1.00 23.10           C  
-ATOM  13358  OE1 GLN I  12      58.935 146.813  53.109  1.00 25.73           O  
-ATOM  13359  NE2 GLN I  12      60.970 145.882  53.053  1.00 23.80           N  
-ATOM  13360  N   THR I  13      61.331 147.371  58.581  1.00 18.47           N  
-ATOM  13361  CA  THR I  13      61.092 148.268  59.739  1.00 18.82           C  
-ATOM  13362  C   THR I  13      62.301 148.868  60.450  1.00 20.19           C  
-ATOM  13363  O   THR I  13      62.211 149.950  61.045  1.00 20.61           O  
-ATOM  13364  CB  THR I  13      60.167 147.616  60.766  1.00 19.21           C  
-ATOM  13365  OG1 THR I  13      60.817 146.464  61.310  1.00 17.94           O  
-ATOM  13366  CG2 THR I  13      58.872 147.086  60.089  1.00 14.75           C  
-ATOM  13367  N   SER I  14      63.445 148.189  60.389  1.00 21.51           N  
-ATOM  13368  CA  SER I  14      64.654 148.718  60.985  1.00 21.49           C  
-ATOM  13369  C   SER I  14      64.977 150.073  60.315  1.00 22.70           C  
-ATOM  13370  O   SER I  14      64.907 150.219  59.077  1.00 24.83           O  
-ATOM  13371  CB  SER I  14      65.774 147.727  60.813  1.00 21.56           C  
-ATOM  13372  OG  SER I  14      66.721 148.231  59.914  1.00 19.95           O  
-ATOM  13373  N   ARG I  15      65.275 151.080  61.110  1.00 21.51           N  
-ATOM  13374  CA  ARG I  15      65.377 152.429  60.557  1.00 20.22           C  
-ATOM  13375  C   ARG I  15      66.866 152.792  60.635  1.00 19.58           C  
-ATOM  13376  O   ARG I  15      67.332 153.266  61.669  1.00 17.36           O  
-ATOM  13377  CB  ARG I  15      64.512 153.377  61.369  1.00 19.69           C  
-ATOM  13378  CG  ARG I  15      63.037 153.405  60.931  1.00 20.59           C  
-ATOM  13379  CD  ARG I  15      62.762 154.235  59.638  1.00 22.66           C  
-ATOM  13380  NE  ARG I  15      63.366 155.595  59.666  1.00 22.51           N  
-ATOM  13381  CZ  ARG I  15      62.813 156.686  60.248  1.00 21.59           C  
-ATOM  13382  NH1 ARG I  15      61.640 156.629  60.883  1.00 19.46           N  
-ATOM  13383  NH2 ARG I  15      63.451 157.850  60.190  1.00 18.03           N  
-ATOM  13384  N   PRO I  16      67.587 152.544  59.539  1.00 19.11           N  
-ATOM  13385  CA  PRO I  16      69.061 152.495  59.555  1.00 19.67           C  
-ATOM  13386  C   PRO I  16      69.702 153.859  59.819  1.00 19.96           C  
-ATOM  13387  O   PRO I  16      70.875 153.887  60.188  1.00 20.81           O  
-ATOM  13388  CB  PRO I  16      69.450 151.994  58.150  1.00 19.24           C  
-ATOM  13389  CG  PRO I  16      68.115 151.833  57.320  1.00 19.46           C  
-ATOM  13390  CD  PRO I  16      67.014 152.331  58.195  1.00 19.59           C  
-ATOM  13391  N   ASP I  17      68.980 154.940  59.583  1.00 18.81           N  
-ATOM  13392  CA  ASP I  17      69.510 156.285  59.854  1.00 20.09           C  
-ATOM  13393  C   ASP I  17      69.184 156.739  61.263  1.00 18.34           C  
-ATOM  13394  O   ASP I  17      69.547 157.820  61.682  1.00 19.00           O  
-ATOM  13395  CB  ASP I  17      68.979 157.290  58.810  1.00 20.55           C  
-ATOM  13396  CG  ASP I  17      69.529 157.003  57.404  1.00 25.42           C  
-ATOM  13397  OD1 ASP I  17      70.684 156.466  57.307  1.00 27.71           O  
-ATOM  13398  OD2 ASP I  17      68.879 157.270  56.353  1.00 31.01           O  
-ATOM  13399  N   VAL I  18      68.497 155.899  62.016  1.00 17.40           N  
-ATOM  13400  CA  VAL I  18      68.014 156.322  63.325  1.00 17.18           C  
-ATOM  13401  C   VAL I  18      68.757 155.640  64.468  1.00 17.26           C  
-ATOM  13402  O   VAL I  18      68.587 154.429  64.659  1.00 16.59           O  
-ATOM  13403  CB  VAL I  18      66.502 156.023  63.444  1.00 17.18           C  
-ATOM  13404  CG1 VAL I  18      65.977 156.398  64.824  1.00 16.82           C  
-ATOM  13405  CG2 VAL I  18      65.742 156.748  62.342  1.00 15.71           C  
-ATOM  13406  N   ILE I  19      69.555 156.400  65.210  1.00 16.88           N  
-ATOM  13407  CA  ILE I  19      70.255 155.888  66.388  1.00 17.74           C  
-ATOM  13408  C   ILE I  19      69.247 155.325  67.443  1.00 18.78           C  
-ATOM  13409  O   ILE I  19      68.300 156.036  67.835  1.00 18.48           O  
-ATOM  13410  CB  ILE I  19      71.179 156.993  66.996  1.00 17.59           C  
-ATOM  13411  CG1 ILE I  19      71.921 156.478  68.248  1.00 17.22           C  
-ATOM  13412  CG2 ILE I  19      70.380 158.242  67.329  1.00 16.72           C  
-ATOM  13413  CD1 ILE I  19      72.991 157.419  68.755  1.00 15.44           C  
-ATOM  13414  N   PRO I  20      69.420 154.065  67.850  1.00 19.67           N  
-ATOM  13415  CA  PRO I  20      68.420 153.365  68.672  1.00 21.18           C  
-ATOM  13416  C   PRO I  20      68.496 153.767  70.124  1.00 22.83           C  
-ATOM  13417  O   PRO I  20      68.693 152.966  71.042  1.00 22.86           O  
-ATOM  13418  CB  PRO I  20      68.798 151.889  68.506  1.00 20.60           C  
-ATOM  13419  CG  PRO I  20      70.266 151.913  68.290  1.00 20.30           C  
-ATOM  13420  CD  PRO I  20      70.537 153.165  67.493  1.00 20.01           C  
-ATOM  13421  N   THR I  21      68.362 155.061  70.320  1.00 24.90           N  
-ATOM  13422  CA  THR I  21      68.346 155.646  71.634  1.00 27.55           C  
-ATOM  13423  C   THR I  21      67.043 155.255  72.339  1.00 29.21           C  
-ATOM  13424  O   THR I  21      65.974 155.244  71.719  1.00 29.25           O  
-ATOM  13425  CB  THR I  21      68.433 157.171  71.453  1.00 27.08           C  
-ATOM  13426  OG1 THR I  21      69.713 157.626  71.887  1.00 28.43           O  
-ATOM  13427  CG2 THR I  21      67.476 157.880  72.337  1.00 28.77           C  
-ATOM  13428  N   GLN I  22      67.128 154.949  73.631  1.00 32.63           N  
-ATOM  13429  CA  GLN I  22      65.933 154.833  74.440  1.00 35.44           C  
-ATOM  13430  C   GLN I  22      66.113 155.778  75.624  1.00 36.87           C  
-ATOM  13431  O   GLN I  22      66.846 155.474  76.581  1.00 37.98           O  
-ATOM  13432  CB  GLN I  22      65.671 153.364  74.865  1.00 36.55           C  
-ATOM  13433  CG  GLN I  22      64.182 152.860  74.656  1.00 39.07           C  
-ATOM  13434  CD  GLN I  22      64.045 151.374  74.228  1.00 42.46           C  
-ATOM  13435  OE1 GLN I  22      63.645 150.513  75.036  1.00 43.69           O  
-ATOM  13436  NE2 GLN I  22      64.341 151.088  72.957  1.00 43.00           N  
-ATOM  13437  N   ARG I  23      65.506 156.962  75.514  1.00 37.66           N  
-ATOM  13438  CA  ARG I  23      65.221 157.821  76.669  1.00 38.07           C  
-ATOM  13439  C   ARG I  23      66.255 158.939  76.928  1.00 37.37           C  
-ATOM  13440  O   ARG I  23      66.649 159.161  78.088  1.00 37.88           O  
-ATOM  13441  CB  ARG I  23      64.990 156.976  77.952  1.00 38.90           C  
-ATOM  13442  CG  ARG I  23      63.877 155.875  77.870  1.00 42.24           C  
-ATOM  13443  CD  ARG I  23      64.107 154.596  78.763  1.00 46.93           C  
-ATOM  13444  NE  ARG I  23      64.249 153.323  78.015  1.00 49.03           N  
-ATOM  13445  CZ  ARG I  23      63.867 152.101  78.450  1.00 50.21           C  
-ATOM  13446  NH1 ARG I  23      63.297 151.930  79.644  1.00 49.22           N  
-ATOM  13447  NH2 ARG I  23      64.057 151.032  77.676  1.00 50.44           N  
-ATOM  13448  N   ASP I  24      66.658 159.670  75.874  1.00 35.89           N  
-ATOM  13449  CA  ASP I  24      67.705 160.725  75.981  1.00 33.76           C  
-ATOM  13450  C   ASP I  24      68.938 160.202  76.758  1.00 31.24           C  
-ATOM  13451  O   ASP I  24      69.743 160.948  77.339  1.00 30.33           O  
-ATOM  13452  CB  ASP I  24      67.142 162.038  76.550  1.00 34.71           C  
-ATOM  13453  CG  ASP I  24      66.951 163.128  75.461  1.00 38.20           C  
-ATOM  13454  OD1 ASP I  24      66.606 162.774  74.296  1.00 40.09           O  
-ATOM  13455  OD2 ASP I  24      67.120 164.361  75.689  1.00 39.78           O  
-ATOM  13456  N   ARG I  25      69.016 158.873  76.738  1.00 28.44           N  
-ATOM  13457  CA  ARG I  25      70.091 158.055  77.249  1.00 25.46           C  
-ATOM  13458  C   ARG I  25      70.912 157.517  76.060  1.00 23.63           C  
-ATOM  13459  O   ARG I  25      70.382 157.282  74.967  1.00 22.10           O  
-ATOM  13460  CB  ARG I  25      69.496 156.894  78.052  1.00 25.82           C  
-ATOM  13461  CG  ARG I  25      69.417 157.155  79.538  1.00 25.11           C  
-ATOM  13462  CD  ARG I  25      69.158 155.916  80.379  1.00 24.51           C  
-ATOM  13463  NE  ARG I  25      68.155 156.222  81.374  1.00 24.92           N  
-ATOM  13464  CZ  ARG I  25      67.037 155.547  81.548  1.00 24.94           C  
-ATOM  13465  NH1 ARG I  25      66.771 154.470  80.816  1.00 26.44           N  
-ATOM  13466  NH2 ARG I  25      66.192 155.933  82.482  1.00 23.95           N  
-ATOM  13467  N   PRO I  26      72.207 157.338  76.287  1.00 22.18           N  
-ATOM  13468  CA  PRO I  26      73.121 156.922  75.226  1.00 20.73           C  
-ATOM  13469  C   PRO I  26      73.033 155.427  74.856  1.00 19.71           C  
-ATOM  13470  O   PRO I  26      72.689 154.557  75.670  1.00 18.59           O  
-ATOM  13471  CB  PRO I  26      74.503 157.282  75.795  1.00 20.80           C  
-ATOM  13472  CG  PRO I  26      74.321 157.221  77.298  1.00 21.31           C  
-ATOM  13473  CD  PRO I  26      72.905 157.627  77.558  1.00 21.91           C  
-ATOM  13474  N   VAL I  27      73.310 155.153  73.586  1.00 18.29           N  
-ATOM  13475  CA  VAL I  27      73.527 153.802  73.107  1.00 17.45           C  
-ATOM  13476  C   VAL I  27      74.918 153.410  73.580  1.00 16.97           C  
-ATOM  13477  O   VAL I  27      75.892 154.055  73.236  1.00 16.31           O  
-ATOM  13478  CB  VAL I  27      73.470 153.714  71.557  1.00 17.44           C  
-ATOM  13479  CG1 VAL I  27      73.782 152.321  71.081  1.00 17.01           C  
-ATOM  13480  CG2 VAL I  27      72.081 154.106  71.046  1.00 17.80           C  
-ATOM  13481  N   ALA I  28      74.989 152.342  74.368  1.00 16.30           N  
-ATOM  13482  CA  ALA I  28      76.252 151.828  74.856  1.00 15.88           C  
-ATOM  13483  C   ALA I  28      76.862 150.965  73.793  1.00 15.78           C  
-ATOM  13484  O   ALA I  28      76.342 149.906  73.475  1.00 15.64           O  
-ATOM  13485  CB  ALA I  28      76.046 151.009  76.141  1.00 15.59           C  
-ATOM  13486  N   VAL I  29      77.985 151.413  73.249  1.00 15.94           N  
-ATOM  13487  CA  VAL I  29      78.703 150.683  72.209  1.00 16.01           C  
-ATOM  13488  C   VAL I  29      80.017 150.151  72.778  1.00 16.84           C  
-ATOM  13489  O   VAL I  29      80.827 150.926  73.301  1.00 16.97           O  
-ATOM  13490  CB  VAL I  29      79.015 151.624  70.980  1.00 15.71           C  
-ATOM  13491  CG1 VAL I  29      79.786 150.899  69.900  1.00 14.64           C  
-ATOM  13492  CG2 VAL I  29      77.764 152.237  70.393  1.00 14.76           C  
-ATOM  13493  N   SER I  30      80.233 148.848  72.668  1.00 17.72           N  
-ATOM  13494  CA  SER I  30      81.495 148.239  73.090  1.00 18.92           C  
-ATOM  13495  C   SER I  30      82.387 148.056  71.870  1.00 19.21           C  
-ATOM  13496  O   SER I  30      81.905 147.598  70.842  1.00 19.52           O  
-ATOM  13497  CB  SER I  30      81.261 146.895  73.748  1.00 18.51           C  
-ATOM  13498  OG  SER I  30      80.510 147.045  74.947  1.00 21.15           O  
-ATOM  13499  N   VAL I  31      83.657 148.443  71.985  1.00 19.50           N  
-ATOM  13500  CA  VAL I  31      84.629 148.271  70.907  1.00 20.63           C  
-ATOM  13501  C   VAL I  31      85.868 147.607  71.428  1.00 20.84           C  
-ATOM  13502  O   VAL I  31      86.292 147.892  72.517  1.00 20.90           O  
-ATOM  13503  CB  VAL I  31      85.120 149.604  70.300  1.00 21.25           C  
-ATOM  13504  CG1 VAL I  31      85.604 149.391  68.844  1.00 20.92           C  
-ATOM  13505  CG2 VAL I  31      84.061 150.635  70.362  1.00 22.20           C  
-ATOM  13506  N   SER I  32      86.462 146.753  70.607  1.00 21.26           N  
-ATOM  13507  CA  SER I  32      87.644 146.007  70.966  1.00 22.43           C  
-ATOM  13508  C   SER I  32      88.305 145.648  69.646  1.00 22.41           C  
-ATOM  13509  O   SER I  32      87.626 145.221  68.694  1.00 22.48           O  
-ATOM  13510  CB  SER I  32      87.238 144.753  71.745  1.00 22.53           C  
-ATOM  13511  OG  SER I  32      88.300 143.827  71.864  1.00 27.25           O  
-ATOM  13512  N   LEU I  33      89.610 145.877  69.565  1.00 21.91           N  
-ATOM  13513  CA  LEU I  33      90.361 145.574  68.362  1.00 21.57           C  
-ATOM  13514  C   LEU I  33      91.123 144.267  68.623  1.00 21.54           C  
-ATOM  13515  O   LEU I  33      91.837 144.143  69.608  1.00 21.43           O  
-ATOM  13516  CB  LEU I  33      91.312 146.720  67.981  1.00 21.12           C  
-ATOM  13517  CG  LEU I  33      90.779 148.158  67.886  1.00 21.14           C  
-ATOM  13518  CD1 LEU I  33      91.832 149.056  67.265  1.00 19.32           C  
-ATOM  13519  CD2 LEU I  33      89.502 148.278  67.056  1.00 20.58           C  
-ATOM  13520  N   LYS I  34      90.934 143.285  67.750  1.00 20.97           N  
-ATOM  13521  CA  LYS I  34      91.736 142.068  67.792  1.00 20.28           C  
-ATOM  13522  C   LYS I  34      92.745 142.145  66.665  1.00 19.44           C  
-ATOM  13523  O   LYS I  34      92.367 142.103  65.488  1.00 18.95           O  
-ATOM  13524  CB  LYS I  34      90.863 140.842  67.617  1.00 21.04           C  
-ATOM  13525  CG  LYS I  34      89.551 140.900  68.360  1.00 23.28           C  
-ATOM  13526  CD  LYS I  34      89.763 140.543  69.826  1.00 27.51           C  
-ATOM  13527  CE  LYS I  34      88.491 140.819  70.622  1.00 30.59           C  
-ATOM  13528  NZ  LYS I  34      88.712 140.816  72.092  1.00 33.59           N  
-ATOM  13529  N   PHE I  35      94.023 142.286  67.023  1.00 18.10           N  
-ATOM  13530  CA  PHE I  35      95.046 142.546  66.028  1.00 17.12           C  
-ATOM  13531  C   PHE I  35      95.437 141.272  65.304  1.00 16.64           C  
-ATOM  13532  O   PHE I  35      95.668 140.246  65.939  1.00 16.16           O  
-ATOM  13533  CB  PHE I  35      96.233 143.257  66.661  1.00 17.04           C  
-ATOM  13534  CG  PHE I  35      95.929 144.693  67.044  1.00 17.31           C  
-ATOM  13535  CD1 PHE I  35      95.962 145.699  66.096  1.00 17.62           C  
-ATOM  13536  CD2 PHE I  35      95.594 145.021  68.365  1.00 18.08           C  
-ATOM  13537  CE1 PHE I  35      95.674 147.031  66.439  1.00 18.66           C  
-ATOM  13538  CE2 PHE I  35      95.316 146.328  68.736  1.00 17.64           C  
-ATOM  13539  CZ  PHE I  35      95.354 147.341  67.773  1.00 18.08           C  
-ATOM  13540  N   ILE I  36      95.461 141.341  63.971  1.00 16.02           N  
-ATOM  13541  CA  ILE I  36      95.745 140.161  63.149  1.00 15.81           C  
-ATOM  13542  C   ILE I  36      97.129 140.230  62.544  1.00 16.27           C  
-ATOM  13543  O   ILE I  36      97.852 139.213  62.470  1.00 15.50           O  
-ATOM  13544  CB  ILE I  36      94.669 139.979  62.044  1.00 15.73           C  
-ATOM  13545  CG1 ILE I  36      93.256 140.094  62.632  1.00 15.33           C  
-ATOM  13546  CG2 ILE I  36      94.843 138.640  61.297  1.00 14.57           C  
-ATOM  13547  CD1 ILE I  36      92.924 139.111  63.803  1.00 12.98           C  
-ATOM  13548  N   ASN I  37      97.502 141.436  62.107  1.00 16.54           N  
-ATOM  13549  CA  ASN I  37      98.787 141.646  61.472  1.00 17.78           C  
-ATOM  13550  C   ASN I  37      99.256 143.079  61.553  1.00 18.54           C  
-ATOM  13551  O   ASN I  37      98.449 144.023  61.640  1.00 18.77           O  
-ATOM  13552  CB  ASN I  37      98.784 141.197  60.014  1.00 17.41           C  
-ATOM  13553  CG  ASN I  37      99.977 140.297  59.680  1.00 19.80           C  
-ATOM  13554  OD1 ASN I  37     101.159 140.607  60.015  1.00 19.29           O  
-ATOM  13555  ND2 ASN I  37      99.689 139.176  59.029  1.00 16.38           N  
-ATOM  13556  N   ILE I  38     100.574 143.232  61.562  1.00 18.83           N  
-ATOM  13557  CA  ILE I  38     101.205 144.518  61.382  1.00 19.36           C  
-ATOM  13558  C   ILE I  38     102.046 144.395  60.131  1.00 20.07           C  
-ATOM  13559  O   ILE I  38     102.976 143.595  60.078  1.00 20.52           O  
-ATOM  13560  CB  ILE I  38     102.063 144.855  62.619  1.00 19.47           C  
-ATOM  13561  CG1 ILE I  38     101.170 144.994  63.855  1.00 19.58           C  
-ATOM  13562  CG2 ILE I  38     102.798 146.149  62.406  1.00 19.15           C  
-ATOM  13563  CD1 ILE I  38     101.870 144.687  65.166  1.00 19.65           C  
-ATOM  13564  N   LEU I  39     101.704 145.153  59.106  1.00 20.99           N  
-ATOM  13565  CA  LEU I  39     102.201 144.876  57.749  1.00 21.83           C  
-ATOM  13566  C   LEU I  39     103.354 145.768  57.373  1.00 22.44           C  
-ATOM  13567  O   LEU I  39     104.224 145.372  56.582  1.00 23.24           O  
-ATOM  13568  CB  LEU I  39     101.087 145.039  56.708  1.00 21.56           C  
-ATOM  13569  CG  LEU I  39      99.865 144.181  57.023  1.00 22.90           C  
-ATOM  13570  CD1 LEU I  39      98.763 144.571  56.134  1.00 23.65           C  
-ATOM  13571  CD2 LEU I  39     100.208 142.691  56.833  1.00 23.22           C  
-ATOM  13572  N   GLU I  40     103.340 146.979  57.912  1.00 22.47           N  
-ATOM  13573  CA  GLU I  40     104.361 147.953  57.612  1.00 23.09           C  
-ATOM  13574  C   GLU I  40     104.484 148.932  58.745  1.00 22.33           C  
-ATOM  13575  O   GLU I  40     103.491 149.376  59.333  1.00 22.53           O  
-ATOM  13576  CB  GLU I  40     104.052 148.725  56.339  1.00 23.45           C  
-ATOM  13577  CG  GLU I  40     105.236 149.548  55.846  1.00 27.41           C  
-ATOM  13578  CD  GLU I  40     104.943 150.315  54.556  1.00 32.46           C  
-ATOM  13579  OE1 GLU I  40     103.753 150.709  54.333  1.00 33.42           O  
-ATOM  13580  OE2 GLU I  40     105.915 150.528  53.776  1.00 33.91           O  
-ATOM  13581  N   VAL I  41     105.727 149.264  59.048  1.00 21.40           N  
-ATOM  13582  CA  VAL I  41     106.033 150.143  60.150  1.00 20.70           C  
-ATOM  13583  C   VAL I  41     107.110 151.063  59.599  1.00 20.42           C  
-ATOM  13584  O   VAL I  41     107.999 150.627  58.856  1.00 19.79           O  
-ATOM  13585  CB  VAL I  41     106.489 149.296  61.377  1.00 20.89           C  
-ATOM  13586  CG1 VAL I  41     107.457 150.020  62.240  1.00 21.04           C  
-ATOM  13587  CG2 VAL I  41     105.280 148.857  62.204  1.00 20.56           C  
-ATOM  13588  N   ASN I  42     107.021 152.338  59.931  1.00 20.24           N  
-ATOM  13589  CA  ASN I  42     108.023 153.292  59.497  1.00 20.49           C  
-ATOM  13590  C   ASN I  42     108.395 154.193  60.671  1.00 20.82           C  
-ATOM  13591  O   ASN I  42     107.603 155.042  61.086  1.00 20.42           O  
-ATOM  13592  CB  ASN I  42     107.492 154.100  58.310  1.00 20.50           C  
-ATOM  13593  CG  ASN I  42     108.562 154.994  57.660  1.00 20.74           C  
-ATOM  13594  OD1 ASN I  42     109.412 155.594  58.331  1.00 21.16           O  
-ATOM  13595  ND2 ASN I  42     108.488 155.104  56.344  1.00 19.35           N  
-ATOM  13596  N   GLU I  43     109.599 153.987  61.205  1.00 21.29           N  
-ATOM  13597  CA  GLU I  43     110.045 154.714  62.393  1.00 21.95           C  
-ATOM  13598  C   GLU I  43     110.417 156.161  62.076  1.00 21.84           C  
-ATOM  13599  O   GLU I  43     110.406 157.014  62.969  1.00 21.82           O  
-ATOM  13600  CB  GLU I  43     111.221 153.982  63.070  1.00 22.59           C  
-ATOM  13601  CG  GLU I  43     111.199 154.024  64.603  1.00 24.44           C  
-ATOM  13602  CD  GLU I  43     112.389 153.317  65.260  1.00 27.49           C  
-ATOM  13603  OE1 GLU I  43     112.850 152.263  64.739  1.00 28.74           O  
-ATOM  13604  OE2 GLU I  43     112.872 153.815  66.317  1.00 27.72           O  
-ATOM  13605  N   ILE I  44     110.744 156.441  60.811  1.00 21.87           N  
-ATOM  13606  CA  ILE I  44     111.017 157.814  60.378  1.00 21.91           C  
-ATOM  13607  C   ILE I  44     109.735 158.652  60.348  1.00 21.61           C  
-ATOM  13608  O   ILE I  44     109.707 159.751  60.923  1.00 21.59           O  
-ATOM  13609  CB  ILE I  44     111.725 157.863  59.002  1.00 22.26           C  
-ATOM  13610  CG1 ILE I  44     113.044 157.058  59.000  1.00 22.87           C  
-ATOM  13611  CG2 ILE I  44     111.970 159.315  58.576  1.00 22.56           C  
-ATOM  13612  CD1 ILE I  44     114.027 157.413  60.101  1.00 24.07           C  
-ATOM  13613  N   THR I  45     108.688 158.133  59.696  1.00 20.85           N  
-ATOM  13614  CA  THR I  45     107.425 158.862  59.528  1.00 20.27           C  
-ATOM  13615  C   THR I  45     106.416 158.642  60.663  1.00 19.82           C  
-ATOM  13616  O   THR I  45     105.389 159.327  60.716  1.00 19.71           O  
-ATOM  13617  CB  THR I  45     106.761 158.545  58.158  1.00 20.25           C  
-ATOM  13618  OG1 THR I  45     106.373 157.166  58.117  1.00 20.46           O  
-ATOM  13619  CG2 THR I  45     107.762 158.678  57.019  1.00 20.13           C  
-ATOM  13620  N   ASN I  46     106.705 157.689  61.553  1.00 19.16           N  
-ATOM  13621  CA  ASN I  46     105.794 157.307  62.637  1.00 18.61           C  
-ATOM  13622  C   ASN I  46     104.428 156.860  62.125  1.00 18.59           C  
-ATOM  13623  O   ASN I  46     103.394 157.362  62.579  1.00 18.09           O  
-ATOM  13624  CB  ASN I  46     105.605 158.461  63.629  1.00 18.39           C  
-ATOM  13625  CG  ASN I  46     106.591 158.414  64.807  1.00 18.21           C  
-ATOM  13626  OD1 ASN I  46     107.001 157.344  65.265  1.00 17.34           O  
-ATOM  13627  ND2 ASN I  46     106.940 159.581  65.313  1.00 15.03           N  
-ATOM  13628  N   GLU I  47     104.443 155.930  61.171  1.00 18.74           N  
-ATOM  13629  CA  GLU I  47     103.245 155.423  60.532  1.00 19.33           C  
-ATOM  13630  C   GLU I  47     103.237 153.893  60.613  1.00 19.52           C  
-ATOM  13631  O   GLU I  47     104.296 153.242  60.554  1.00 19.14           O  
-ATOM  13632  CB  GLU I  47     103.159 155.897  59.061  1.00 19.55           C  
-ATOM  13633  CG  GLU I  47     102.893 157.391  58.910  1.00 21.39           C  
-ATOM  13634  CD  GLU I  47     102.988 157.910  57.480  1.00 25.77           C  
-ATOM  13635  OE1 GLU I  47     102.796 157.119  56.528  1.00 27.97           O  
-ATOM  13636  OE2 GLU I  47     103.253 159.141  57.303  1.00 28.13           O  
-ATOM  13637  N   VAL I  48     102.043 153.326  60.768  1.00 19.18           N  
-ATOM  13638  CA  VAL I  48     101.892 151.872  60.816  1.00 20.01           C  
-ATOM  13639  C   VAL I  48     100.713 151.450  59.959  1.00 19.93           C  
-ATOM  13640  O   VAL I  48      99.722 152.173  59.876  1.00 19.62           O  
-ATOM  13641  CB  VAL I  48     101.754 151.299  62.274  1.00 19.82           C  
-ATOM  13642  CG1 VAL I  48     102.926 151.710  63.150  1.00 20.55           C  
-ATOM  13643  CG2 VAL I  48     100.490 151.746  62.925  1.00 20.52           C  
-ATOM  13644  N   ASP I  49     100.843 150.288  59.323  1.00 20.44           N  
-ATOM  13645  CA  ASP I  49      99.798 149.679  58.505  1.00 21.10           C  
-ATOM  13646  C   ASP I  49      99.381 148.414  59.260  1.00 20.78           C  
-ATOM  13647  O   ASP I  49     100.215 147.544  59.508  1.00 20.61           O  
-ATOM  13648  CB  ASP I  49     100.406 149.352  57.134  1.00 22.05           C  
-ATOM  13649  CG  ASP I  49      99.377 149.173  56.030  1.00 24.97           C  
-ATOM  13650  OD1 ASP I  49      98.165 148.987  56.299  1.00 28.43           O  
-ATOM  13651  OD2 ASP I  49      99.721 149.174  54.820  1.00 28.98           O  
-ATOM  13652  N   VAL I  50      98.110 148.313  59.647  1.00 20.33           N  
-ATOM  13653  CA  VAL I  50      97.659 147.245  60.534  1.00 20.15           C  
-ATOM  13654  C   VAL I  50      96.356 146.592  60.054  1.00 19.37           C  
-ATOM  13655  O   VAL I  50      95.526 147.248  59.429  1.00 18.64           O  
-ATOM  13656  CB  VAL I  50      97.412 147.783  61.951  1.00 20.56           C  
-ATOM  13657  CG1 VAL I  50      96.958 146.691  62.854  1.00 22.43           C  
-ATOM  13658  CG2 VAL I  50      98.665 148.380  62.536  1.00 22.02           C  
-ATOM  13659  N   VAL I  51      96.189 145.301  60.375  1.00 18.14           N  
-ATOM  13660  CA  VAL I  51      94.938 144.582  60.152  1.00 17.12           C  
-ATOM  13661  C   VAL I  51      94.417 144.136  61.509  1.00 16.84           C  
-ATOM  13662  O   VAL I  51      95.168 143.568  62.321  1.00 16.13           O  
-ATOM  13663  CB  VAL I  51      95.107 143.341  59.242  1.00 17.12           C  
-ATOM  13664  CG1 VAL I  51      93.788 142.618  59.075  1.00 16.68           C  
-ATOM  13665  CG2 VAL I  51      95.672 143.730  57.889  1.00 16.63           C  
-ATOM  13666  N   PHE I  52      93.144 144.434  61.763  1.00 15.78           N  
-ATOM  13667  CA  PHE I  52      92.494 144.099  63.015  1.00 15.29           C  
-ATOM  13668  C   PHE I  52      91.031 143.785  62.734  1.00 15.71           C  
-ATOM  13669  O   PHE I  52      90.473 144.260  61.733  1.00 14.02           O  
-ATOM  13670  CB  PHE I  52      92.592 145.260  64.044  1.00 15.66           C  
-ATOM  13671  CG  PHE I  52      92.136 146.641  63.503  1.00 15.77           C  
-ATOM  13672  CD1 PHE I  52      93.055 147.525  62.989  1.00 16.47           C  
-ATOM  13673  CD2 PHE I  52      90.784 147.058  63.575  1.00 13.84           C  
-ATOM  13674  CE1 PHE I  52      92.667 148.824  62.512  1.00 15.62           C  
-ATOM  13675  CE2 PHE I  52      90.377 148.367  63.096  1.00 10.14           C  
-ATOM  13676  CZ  PHE I  52      91.321 149.229  62.551  1.00 12.88           C  
-ATOM  13677  N   TRP I  53      90.439 142.987  63.628  1.00 16.01           N  
-ATOM  13678  CA  TRP I  53      89.026 142.765  63.680  1.00 16.79           C  
-ATOM  13679  C   TRP I  53      88.477 143.760  64.682  1.00 17.54           C  
-ATOM  13680  O   TRP I  53      88.880 143.785  65.828  1.00 17.42           O  
-ATOM  13681  CB  TRP I  53      88.690 141.336  64.125  1.00 16.24           C  
-ATOM  13682  CG  TRP I  53      89.229 140.248  63.251  1.00 15.87           C  
-ATOM  13683  CD1 TRP I  53      89.731 140.371  61.991  1.00 16.10           C  
-ATOM  13684  CD2 TRP I  53      89.303 138.861  63.573  1.00 15.98           C  
-ATOM  13685  NE1 TRP I  53      90.127 139.145  61.506  1.00 16.62           N  
-ATOM  13686  CE2 TRP I  53      89.885 138.200  62.462  1.00 16.69           C  
-ATOM  13687  CE3 TRP I  53      88.971 138.098  64.707  1.00 18.02           C  
-ATOM  13688  CZ2 TRP I  53      90.128 136.834  62.450  1.00 18.42           C  
-ATOM  13689  CZ3 TRP I  53      89.214 136.724  64.686  1.00 19.12           C  
-ATOM  13690  CH2 TRP I  53      89.779 136.113  63.561  1.00 18.86           C  
-ATOM  13691  N   GLN I  54      87.553 144.591  64.235  1.00 18.44           N  
-ATOM  13692  CA  GLN I  54      86.991 145.632  65.091  1.00 19.28           C  
-ATOM  13693  C   GLN I  54      85.675 145.146  65.674  1.00 19.23           C  
-ATOM  13694  O   GLN I  54      84.603 145.383  65.104  1.00 19.16           O  
-ATOM  13695  CB  GLN I  54      86.807 146.913  64.290  1.00 19.49           C  
-ATOM  13696  CG  GLN I  54      86.319 148.119  65.110  1.00 22.80           C  
-ATOM  13697  CD  GLN I  54      86.339 149.409  64.266  1.00 27.66           C  
-ATOM  13698  OE1 GLN I  54      87.410 149.911  63.877  1.00 29.03           O  
-ATOM  13699  NE2 GLN I  54      85.167 149.915  63.956  1.00 29.26           N  
-ATOM  13700  N   GLN I  55      85.769 144.463  66.812  1.00 18.86           N  
-ATOM  13701  CA  GLN I  55      84.625 143.839  67.440  1.00 19.51           C  
-ATOM  13702  C   GLN I  55      83.723 144.895  68.042  1.00 19.53           C  
-ATOM  13703  O   GLN I  55      84.101 145.556  69.030  1.00 19.18           O  
-ATOM  13704  CB  GLN I  55      85.056 142.852  68.533  1.00 19.39           C  
-ATOM  13705  CG  GLN I  55      83.888 142.252  69.264  1.00 21.67           C  
-ATOM  13706  CD  GLN I  55      84.293 141.188  70.278  1.00 26.45           C  
-ATOM  13707  OE1 GLN I  55      85.390 140.654  70.228  1.00 28.25           O  
-ATOM  13708  NE2 GLN I  55      83.390 140.871  71.184  1.00 26.92           N  
-ATOM  13709  N   THR I  56      82.531 145.037  67.467  1.00 19.08           N  
-ATOM  13710  CA  THR I  56      81.621 146.127  67.817  1.00 19.45           C  
-ATOM  13711  C   THR I  56      80.259 145.579  68.208  1.00 19.48           C  
-ATOM  13712  O   THR I  56      79.637 144.793  67.469  1.00 19.35           O  
-ATOM  13713  CB  THR I  56      81.459 147.102  66.643  1.00 19.92           C  
-ATOM  13714  OG1 THR I  56      82.720 147.273  65.999  1.00 21.90           O  
-ATOM  13715  CG2 THR I  56      81.121 148.486  67.131  1.00 19.55           C  
-ATOM  13716  N   THR I  57      79.772 146.053  69.342  1.00 18.66           N  
-ATOM  13717  CA  THR I  57      78.633 145.459  69.993  1.00 19.12           C  
-ATOM  13718  C   THR I  57      77.729 146.573  70.514  1.00 18.60           C  
-ATOM  13719  O   THR I  57      78.234 147.598  71.035  1.00 17.84           O  
-ATOM  13720  CB  THR I  57      79.186 144.573  71.133  1.00 19.69           C  
-ATOM  13721  OG1 THR I  57      79.000 143.183  70.819  1.00 22.25           O  
-ATOM  13722  CG2 THR I  57      78.453 144.753  72.418  1.00 21.31           C  
-ATOM  13723  N   TRP I  58      76.411 146.388  70.366  1.00 17.10           N  
-ATOM  13724  CA  TRP I  58      75.446 147.351  70.871  1.00 17.21           C  
-ATOM  13725  C   TRP I  58      74.080 146.730  70.784  1.00 17.22           C  
-ATOM  13726  O   TRP I  58      73.875 145.710  70.120  1.00 17.38           O  
-ATOM  13727  CB  TRP I  58      75.466 148.693  70.097  1.00 16.09           C  
-ATOM  13728  CG  TRP I  58      74.921 148.566  68.693  1.00 16.45           C  
-ATOM  13729  CD1 TRP I  58      73.629 148.755  68.298  1.00 16.18           C  
-ATOM  13730  CD2 TRP I  58      75.648 148.165  67.508  1.00 14.60           C  
-ATOM  13731  NE1 TRP I  58      73.513 148.513  66.943  1.00 15.70           N  
-ATOM  13732  CE2 TRP I  58      74.739 148.157  66.438  1.00 13.74           C  
-ATOM  13733  CE3 TRP I  58      76.975 147.818  67.254  1.00 13.83           C  
-ATOM  13734  CZ2 TRP I  58      75.100 147.780  65.144  1.00 13.84           C  
-ATOM  13735  CZ3 TRP I  58      77.348 147.483  65.964  1.00 13.88           C  
-ATOM  13736  CH2 TRP I  58      76.414 147.466  64.923  1.00 14.97           C  
-ATOM  13737  N   SER I  59      73.140 147.392  71.423  1.00 17.33           N  
-ATOM  13738  CA  SER I  59      71.783 146.928  71.450  1.00 19.07           C  
-ATOM  13739  C   SER I  59      70.833 147.825  70.663  1.00 18.73           C  
-ATOM  13740  O   SER I  59      70.885 149.046  70.790  1.00 18.66           O  
-ATOM  13741  CB  SER I  59      71.339 146.840  72.902  1.00 18.86           C  
-ATOM  13742  OG  SER I  59      69.962 147.025  72.959  1.00 22.30           O  
-ATOM  13743  N   ASP I  60      69.964 147.212  69.863  1.00 19.25           N  
-ATOM  13744  CA  ASP I  60      68.908 147.944  69.147  1.00 19.56           C  
-ATOM  13745  C   ASP I  60      67.588 147.201  69.254  1.00 19.53           C  
-ATOM  13746  O   ASP I  60      67.305 146.270  68.489  1.00 18.41           O  
-ATOM  13747  CB  ASP I  60      69.295 148.132  67.681  1.00 19.86           C  
-ATOM  13748  CG  ASP I  60      68.320 149.013  66.917  1.00 21.70           C  
-ATOM  13749  OD1 ASP I  60      67.185 149.249  67.389  1.00 21.13           O  
-ATOM  13750  OD2 ASP I  60      68.616 149.487  65.797  1.00 24.02           O  
-ATOM  13751  N   ARG I  61      66.766 147.630  70.201  1.00 20.19           N  
-ATOM  13752  CA  ARG I  61      65.560 146.874  70.473  1.00 20.96           C  
-ATOM  13753  C   ARG I  61      64.449 146.974  69.402  1.00 20.65           C  
-ATOM  13754  O   ARG I  61      63.559 146.132  69.378  1.00 20.85           O  
-ATOM  13755  CB  ARG I  61      65.073 147.054  71.913  1.00 21.79           C  
-ATOM  13756  CG  ARG I  61      66.158 146.686  72.972  1.00 25.01           C  
-ATOM  13757  CD  ARG I  61      65.801 145.559  73.982  1.00 30.88           C  
-ATOM  13758  NE  ARG I  61      66.884 145.349  74.973  1.00 34.61           N  
-ATOM  13759  CZ  ARG I  61      66.722 145.138  76.288  1.00 34.96           C  
-ATOM  13760  NH1 ARG I  61      65.513 145.095  76.847  1.00 35.06           N  
-ATOM  13761  NH2 ARG I  61      67.791 144.988  77.059  1.00 36.78           N  
-ATOM  13762  N   THR I  62      64.536 147.931  68.480  1.00 20.33           N  
-ATOM  13763  CA  THR I  62      63.645 147.905  67.318  1.00 20.73           C  
-ATOM  13764  C   THR I  62      63.866 146.658  66.409  1.00 20.47           C  
-ATOM  13765  O   THR I  62      63.023 146.345  65.569  1.00 20.32           O  
-ATOM  13766  CB  THR I  62      63.735 149.199  66.470  1.00 21.10           C  
-ATOM  13767  OG1 THR I  62      65.001 149.258  65.811  1.00 22.31           O  
-ATOM  13768  CG2 THR I  62      63.709 150.465  67.361  1.00 21.95           C  
-ATOM  13769  N   LEU I  63      64.993 145.964  66.583  1.00 19.68           N  
-ATOM  13770  CA  LEU I  63      65.286 144.783  65.796  1.00 19.47           C  
-ATOM  13771  C   LEU I  63      64.706 143.525  66.438  1.00 19.48           C  
-ATOM  13772  O   LEU I  63      64.641 142.488  65.787  1.00 19.70           O  
-ATOM  13773  CB  LEU I  63      66.777 144.591  65.637  1.00 18.84           C  
-ATOM  13774  CG  LEU I  63      67.577 145.715  64.998  1.00 20.21           C  
-ATOM  13775  CD1 LEU I  63      69.042 145.380  65.057  1.00 18.61           C  
-ATOM  13776  CD2 LEU I  63      67.103 145.954  63.562  1.00 19.39           C  
-ATOM  13777  N   ALA I  64      64.292 143.625  67.701  1.00 18.82           N  
-ATOM  13778  CA  ALA I  64      63.899 142.450  68.477  1.00 18.76           C  
-ATOM  13779  C   ALA I  64      62.697 141.727  67.898  1.00 18.69           C  
-ATOM  13780  O   ALA I  64      61.799 142.357  67.354  1.00 18.69           O  
-ATOM  13781  CB  ALA I  64      63.617 142.837  69.949  1.00 18.37           C  
-ATOM  13782  N   TRP I  65      62.685 140.407  68.050  1.00 18.55           N  
-ATOM  13783  CA  TRP I  65      61.542 139.588  67.704  1.00 18.34           C  
-ATOM  13784  C   TRP I  65      61.384 138.469  68.734  1.00 19.05           C  
-ATOM  13785  O   TRP I  65      62.354 138.095  69.419  1.00 18.62           O  
-ATOM  13786  CB  TRP I  65      61.689 139.024  66.296  1.00 17.63           C  
-ATOM  13787  CG  TRP I  65      62.754 137.965  66.148  1.00 16.26           C  
-ATOM  13788  CD1 TRP I  65      62.588 136.588  66.256  1.00 14.79           C  
-ATOM  13789  CD2 TRP I  65      64.139 138.177  65.849  1.00 13.60           C  
-ATOM  13790  NE1 TRP I  65      63.791 135.960  66.022  1.00 13.42           N  
-ATOM  13791  CE2 TRP I  65      64.759 136.905  65.787  1.00 12.52           C  
-ATOM  13792  CE3 TRP I  65      64.930 139.323  65.637  1.00 12.53           C  
-ATOM  13793  CZ2 TRP I  65      66.127 136.745  65.534  1.00 11.65           C  
-ATOM  13794  CZ3 TRP I  65      66.292 139.159  65.362  1.00 11.96           C  
-ATOM  13795  CH2 TRP I  65      66.874 137.883  65.318  1.00 11.64           C  
-ATOM  13796  N   ASN I  66      60.153 137.973  68.855  1.00 19.59           N  
-ATOM  13797  CA  ASN I  66      59.834 136.834  69.702  1.00 20.49           C  
-ATOM  13798  C   ASN I  66      60.393 135.557  69.110  1.00 20.42           C  
-ATOM  13799  O   ASN I  66      59.925 135.074  68.072  1.00 20.38           O  
-ATOM  13800  CB  ASN I  66      58.315 136.704  69.854  1.00 20.94           C  
-ATOM  13801  CG  ASN I  66      57.916 135.757  70.962  1.00 22.69           C  
-ATOM  13802  OD1 ASN I  66      58.594 134.760  71.219  1.00 23.26           O  
-ATOM  13803  ND2 ASN I  66      56.789 136.051  71.620  1.00 25.15           N  
-ATOM  13804  N   SER I  67      61.389 135.003  69.783  1.00 20.66           N  
-ATOM  13805  CA  SER I  67      61.993 133.766  69.309  1.00 21.41           C  
-ATOM  13806  C   SER I  67      61.582 132.527  70.110  1.00 21.87           C  
-ATOM  13807  O   SER I  67      62.183 131.442  69.941  1.00 22.72           O  
-ATOM  13808  CB  SER I  67      63.514 133.908  69.254  1.00 21.46           C  
-ATOM  13809  OG  SER I  67      63.983 134.520  70.445  1.00 21.77           O  
-ATOM  13810  N   SER I  68      60.553 132.640  70.949  1.00 21.32           N  
-ATOM  13811  CA  SER I  68      60.097 131.452  71.674  1.00 21.29           C  
-ATOM  13812  C   SER I  68      60.037 130.210  70.764  1.00 21.38           C  
-ATOM  13813  O   SER I  68      60.328 129.110  71.221  1.00 21.42           O  
-ATOM  13814  CB  SER I  68      58.771 131.681  72.426  1.00 21.50           C  
-ATOM  13815  OG  SER I  68      57.757 132.203  71.587  1.00 20.24           O  
-ATOM  13816  N   HIS I  69      59.701 130.389  69.483  1.00 21.38           N  
-ATOM  13817  CA  HIS I  69      59.636 129.267  68.531  1.00 21.92           C  
-ATOM  13818  C   HIS I  69      60.274 129.550  67.154  1.00 21.87           C  
-ATOM  13819  O   HIS I  69      59.791 129.080  66.133  1.00 21.98           O  
-ATOM  13820  CB  HIS I  69      58.184 128.803  68.358  1.00 22.18           C  
-ATOM  13821  CG  HIS I  69      57.471 128.564  69.652  1.00 23.40           C  
-ATOM  13822  ND1 HIS I  69      57.382 127.315  70.232  1.00 23.48           N  
-ATOM  13823  CD2 HIS I  69      56.817 129.416  70.483  1.00 22.28           C  
-ATOM  13824  CE1 HIS I  69      56.701 127.411  71.362  1.00 23.92           C  
-ATOM  13825  NE2 HIS I  69      56.354 128.675  71.539  1.00 23.23           N  
-ATOM  13826  N   SER I  70      61.364 130.314  67.137  1.00 22.07           N  
-ATOM  13827  CA  SER I  70      61.989 130.786  65.905  1.00 21.90           C  
-ATOM  13828  C   SER I  70      63.508 130.801  66.089  1.00 21.65           C  
-ATOM  13829  O   SER I  70      63.980 130.783  67.224  1.00 21.60           O  
-ATOM  13830  CB  SER I  70      61.505 132.204  65.582  1.00 21.75           C  
-ATOM  13831  OG  SER I  70      60.090 132.272  65.530  1.00 22.49           O  
-ATOM  13832  N   PRO I  71      64.273 130.831  64.999  1.00 21.31           N  
-ATOM  13833  CA  PRO I  71      65.714 131.101  65.105  1.00 21.12           C  
-ATOM  13834  C   PRO I  71      65.924 132.331  65.981  1.00 20.90           C  
-ATOM  13835  O   PRO I  71      65.133 133.290  65.947  1.00 20.17           O  
-ATOM  13836  CB  PRO I  71      66.129 131.394  63.662  1.00 20.98           C  
-ATOM  13837  CG  PRO I  71      65.139 130.625  62.820  1.00 21.42           C  
-ATOM  13838  CD  PRO I  71      63.843 130.629  63.596  1.00 21.44           C  
-ATOM  13839  N   ASP I  72      66.967 132.301  66.789  1.00 20.65           N  
-ATOM  13840  CA  ASP I  72      67.168 133.413  67.698  1.00 21.33           C  
-ATOM  13841  C   ASP I  72      68.301 134.365  67.277  1.00 19.92           C  
-ATOM  13842  O   ASP I  72      68.582 135.323  67.989  1.00 19.48           O  
-ATOM  13843  CB  ASP I  72      67.326 132.897  69.140  1.00 22.62           C  
-ATOM  13844  CG  ASP I  72      68.720 132.477  69.435  1.00 26.29           C  
-ATOM  13845  OD1 ASP I  72      69.269 131.738  68.605  1.00 30.22           O  
-ATOM  13846  OD2 ASP I  72      69.373 132.867  70.433  1.00 31.68           O  
-ATOM  13847  N   GLN I  73      68.918 134.091  66.120  1.00 18.48           N  
-ATOM  13848  CA  GLN I  73      69.960 134.943  65.539  1.00 17.30           C  
-ATOM  13849  C   GLN I  73      69.904 134.873  64.026  1.00 16.15           C  
-ATOM  13850  O   GLN I  73      69.681 133.802  63.455  1.00 14.99           O  
-ATOM  13851  CB  GLN I  73      71.356 134.455  65.924  1.00 17.68           C  
-ATOM  13852  CG  GLN I  73      71.763 134.680  67.348  1.00 20.50           C  
-ATOM  13853  CD  GLN I  73      73.235 134.429  67.572  1.00 22.44           C  
-ATOM  13854  OE1 GLN I  73      74.056 134.696  66.701  1.00 24.45           O  
-ATOM  13855  NE2 GLN I  73      73.572 133.938  68.737  1.00 20.31           N  
-ATOM  13856  N   VAL I  74      70.186 136.010  63.379  1.00 14.79           N  
-ATOM  13857  CA  VAL I  74      70.377 136.042  61.931  1.00 14.05           C  
-ATOM  13858  C   VAL I  74      71.589 136.926  61.526  1.00 14.64           C  
-ATOM  13859  O   VAL I  74      72.015 137.813  62.288  1.00 14.22           O  
-ATOM  13860  CB  VAL I  74      69.120 136.568  61.215  1.00 14.14           C  
-ATOM  13861  CG1 VAL I  74      67.942 135.609  61.352  1.00 13.18           C  
-ATOM  13862  CG2 VAL I  74      68.753 138.054  61.680  1.00 12.04           C  
-ATOM  13863  N   SER I  75      72.122 136.694  60.332  1.00 14.25           N  
-ATOM  13864  CA  SER I  75      73.097 137.596  59.718  1.00 14.78           C  
-ATOM  13865  C   SER I  75      72.389 138.627  58.868  1.00 15.30           C  
-ATOM  13866  O   SER I  75      71.535 138.255  58.075  1.00 15.59           O  
-ATOM  13867  CB  SER I  75      74.075 136.821  58.853  1.00 14.80           C  
-ATOM  13868  OG  SER I  75      74.892 135.978  59.663  1.00 14.24           O  
-ATOM  13869  N   VAL I  76      72.732 139.909  59.047  1.00 14.88           N  
-ATOM  13870  CA  VAL I  76      72.025 141.006  58.395  1.00 15.44           C  
-ATOM  13871  C   VAL I  76      73.020 141.988  57.711  1.00 15.76           C  
-ATOM  13872  O   VAL I  76      73.990 142.444  58.338  1.00 15.12           O  
-ATOM  13873  CB  VAL I  76      71.142 141.792  59.404  1.00 15.92           C  
-ATOM  13874  CG1 VAL I  76      70.308 142.888  58.734  1.00 14.34           C  
-ATOM  13875  CG2 VAL I  76      70.207 140.835  60.192  1.00 14.32           C  
-ATOM  13876  N   PRO I  77      72.812 142.292  56.441  1.00 16.40           N  
-ATOM  13877  CA  PRO I  77      73.670 143.301  55.770  1.00 16.64           C  
-ATOM  13878  C   PRO I  77      73.653 144.577  56.603  1.00 16.95           C  
-ATOM  13879  O   PRO I  77      72.579 144.976  57.082  1.00 16.77           O  
-ATOM  13880  CB  PRO I  77      73.007 143.506  54.383  1.00 16.68           C  
-ATOM  13881  CG  PRO I  77      71.976 142.443  54.235  1.00 17.36           C  
-ATOM  13882  CD  PRO I  77      71.769 141.730  55.556  1.00 16.32           C  
-ATOM  13883  N   ILE I  78      74.810 145.178  56.868  1.00 17.34           N  
-ATOM  13884  CA  ILE I  78      74.794 146.397  57.679  1.00 18.98           C  
-ATOM  13885  C   ILE I  78      74.015 147.557  57.041  1.00 19.60           C  
-ATOM  13886  O   ILE I  78      73.610 148.468  57.743  1.00 19.61           O  
-ATOM  13887  CB  ILE I  78      76.203 146.861  58.073  1.00 19.41           C  
-ATOM  13888  CG1 ILE I  78      77.004 147.287  56.831  1.00 20.02           C  
-ATOM  13889  CG2 ILE I  78      76.875 145.790  58.954  1.00 17.99           C  
-ATOM  13890  CD1 ILE I  78      78.292 148.089  57.185  1.00 23.21           C  
-ATOM  13891  N   SER I  79      73.788 147.501  55.721  1.00 19.82           N  
-ATOM  13892  CA  SER I  79      72.959 148.517  55.061  1.00 20.88           C  
-ATOM  13893  C   SER I  79      71.495 148.482  55.549  1.00 20.79           C  
-ATOM  13894  O   SER I  79      70.769 149.460  55.385  1.00 20.92           O  
-ATOM  13895  CB  SER I  79      73.025 148.376  53.534  1.00 21.36           C  
-ATOM  13896  OG  SER I  79      72.321 147.224  53.096  1.00 24.34           O  
-ATOM  13897  N   SER I  80      71.060 147.354  56.125  1.00 20.38           N  
-ATOM  13898  CA  SER I  80      69.719 147.267  56.696  1.00 20.63           C  
-ATOM  13899  C   SER I  80      69.671 147.560  58.206  1.00 20.23           C  
-ATOM  13900  O   SER I  80      68.625 147.384  58.795  1.00 20.59           O  
-ATOM  13901  CB  SER I  80      69.118 145.890  56.457  1.00 20.50           C  
-ATOM  13902  OG  SER I  80      68.868 145.662  55.086  1.00 23.32           O  
-ATOM  13903  N   LEU I  81      70.782 147.978  58.810  1.00 19.35           N  
-ATOM  13904  CA  LEU I  81      70.848 148.273  60.252  1.00 19.47           C  
-ATOM  13905  C   LEU I  81      71.432 149.642  60.486  1.00 18.05           C  
-ATOM  13906  O   LEU I  81      72.308 150.023  59.745  1.00 17.33           O  
-ATOM  13907  CB  LEU I  81      71.814 147.285  60.950  1.00 20.10           C  
-ATOM  13908  CG  LEU I  81      71.569 145.781  60.890  1.00 21.50           C  
-ATOM  13909  CD1 LEU I  81      72.569 145.065  61.737  1.00 22.01           C  
-ATOM  13910  CD2 LEU I  81      70.184 145.510  61.408  1.00 23.89           C  
-ATOM  13911  N   TRP I  82      71.014 150.331  61.551  1.00 17.53           N  
-ATOM  13912  CA  TRP I  82      71.860 151.395  62.141  1.00 17.10           C  
-ATOM  13913  C   TRP I  82      73.152 150.794  62.691  1.00 17.19           C  
-ATOM  13914  O   TRP I  82      73.130 149.768  63.398  1.00 17.43           O  
-ATOM  13915  CB  TRP I  82      71.154 152.158  63.271  1.00 16.23           C  
-ATOM  13916  CG  TRP I  82      72.015 153.252  63.879  1.00 16.91           C  
-ATOM  13917  CD1 TRP I  82      72.111 154.570  63.460  1.00 15.35           C  
-ATOM  13918  CD2 TRP I  82      72.881 153.142  65.026  1.00 15.70           C  
-ATOM  13919  NE1 TRP I  82      72.977 155.264  64.270  1.00 15.84           N  
-ATOM  13920  CE2 TRP I  82      73.464 154.426  65.240  1.00 16.67           C  
-ATOM  13921  CE3 TRP I  82      73.212 152.101  65.909  1.00 15.00           C  
-ATOM  13922  CZ2 TRP I  82      74.350 154.682  66.291  1.00 14.81           C  
-ATOM  13923  CZ3 TRP I  82      74.102 152.348  66.950  1.00 15.05           C  
-ATOM  13924  CH2 TRP I  82      74.665 153.631  67.136  1.00 15.77           C  
-ATOM  13925  N   VAL I  83      74.258 151.442  62.376  1.00 17.17           N  
-ATOM  13926  CA  VAL I  83      75.586 151.073  62.851  1.00 17.89           C  
-ATOM  13927  C   VAL I  83      76.251 152.320  63.439  1.00 17.82           C  
-ATOM  13928  O   VAL I  83      76.105 153.407  62.881  1.00 17.88           O  
-ATOM  13929  CB  VAL I  83      76.414 150.493  61.645  1.00 18.66           C  
-ATOM  13930  CG1 VAL I  83      77.867 150.428  61.934  1.00 20.12           C  
-ATOM  13931  CG2 VAL I  83      75.902 149.072  61.245  1.00 19.07           C  
-ATOM  13932  N   PRO I  84      76.994 152.193  64.535  1.00 18.09           N  
-ATOM  13933  CA  PRO I  84      77.645 153.373  65.127  1.00 18.32           C  
-ATOM  13934  C   PRO I  84      78.610 154.009  64.127  1.00 17.72           C  
-ATOM  13935  O   PRO I  84      79.255 153.301  63.364  1.00 17.38           O  
-ATOM  13936  CB  PRO I  84      78.367 152.831  66.388  1.00 18.13           C  
-ATOM  13937  CG  PRO I  84      78.040 151.376  66.491  1.00 18.72           C  
-ATOM  13938  CD  PRO I  84      77.252 150.946  65.286  1.00 18.38           C  
-ATOM  13939  N   ASP I  85      78.655 155.329  64.096  1.00 17.02           N  
-ATOM  13940  CA  ASP I  85      79.550 156.053  63.182  1.00 17.02           C  
-ATOM  13941  C   ASP I  85      80.967 156.227  63.757  1.00 16.95           C  
-ATOM  13942  O   ASP I  85      81.463 157.375  63.946  1.00 16.82           O  
-ATOM  13943  CB  ASP I  85      78.948 157.407  62.835  1.00 16.75           C  
-ATOM  13944  CG  ASP I  85      78.817 158.326  64.053  1.00 18.73           C  
-ATOM  13945  OD1 ASP I  85      78.653 157.798  65.167  1.00 17.92           O  
-ATOM  13946  OD2 ASP I  85      78.871 159.588  63.969  1.00 19.67           O  
-ATOM  13947  N   LEU I  86      81.617 155.106  64.041  1.00 16.02           N  
-ATOM  13948  CA  LEU I  86      82.914 155.128  64.694  1.00 16.50           C  
-ATOM  13949  C   LEU I  86      83.984 155.522  63.700  1.00 16.83           C  
-ATOM  13950  O   LEU I  86      83.943 155.122  62.546  1.00 16.86           O  
-ATOM  13951  CB  LEU I  86      83.237 153.738  65.257  1.00 16.53           C  
-ATOM  13952  CG  LEU I  86      82.298 153.285  66.377  1.00 16.62           C  
-ATOM  13953  CD1 LEU I  86      82.757 151.954  66.881  1.00 17.19           C  
-ATOM  13954  CD2 LEU I  86      82.273 154.352  67.507  1.00 15.27           C  
-ATOM  13955  N   ALA I  87      84.964 156.294  64.150  1.00 16.73           N  
-ATOM  13956  CA  ALA I  87      86.139 156.576  63.316  1.00 16.63           C  
-ATOM  13957  C   ALA I  87      87.402 156.511  64.151  1.00 16.76           C  
-ATOM  13958  O   ALA I  87      87.367 156.790  65.349  1.00 16.93           O  
-ATOM  13959  CB  ALA I  87      86.013 157.913  62.668  1.00 16.65           C  
-ATOM  13960  N   ALA I  88      88.516 156.128  63.534  1.00 16.95           N  
-ATOM  13961  CA  ALA I  88      89.807 156.221  64.213  1.00 17.00           C  
-ATOM  13962  C   ALA I  88      90.372 157.642  63.974  1.00 16.98           C  
-ATOM  13963  O   ALA I  88      90.580 158.035  62.851  1.00 17.06           O  
-ATOM  13964  CB  ALA I  88      90.739 155.165  63.709  1.00 17.04           C  
-ATOM  13965  N   TYR I  89      90.593 158.398  65.039  1.00 16.50           N  
-ATOM  13966  CA  TYR I  89      91.035 159.783  64.946  1.00 16.81           C  
-ATOM  13967  C   TYR I  89      92.436 159.980  64.392  1.00 16.56           C  
-ATOM  13968  O   TYR I  89      92.733 161.050  63.909  1.00 16.96           O  
-ATOM  13969  CB  TYR I  89      90.995 160.466  66.324  1.00 16.84           C  
-ATOM  13970  CG  TYR I  89      89.628 160.901  66.795  1.00 17.93           C  
-ATOM  13971  CD1 TYR I  89      88.600 159.970  67.006  1.00 18.69           C  
-ATOM  13972  CD2 TYR I  89      89.355 162.262  67.057  1.00 18.44           C  
-ATOM  13973  CE1 TYR I  89      87.331 160.385  67.449  1.00 21.07           C  
-ATOM  13974  CE2 TYR I  89      88.115 162.676  67.507  1.00 19.33           C  
-ATOM  13975  CZ  TYR I  89      87.103 161.744  67.709  1.00 22.27           C  
-ATOM  13976  OH  TYR I  89      85.850 162.153  68.153  1.00 24.02           O  
-ATOM  13977  N   ASN I  90      93.309 158.984  64.530  1.00 15.43           N  
-ATOM  13978  CA  ASN I  90      94.664 159.074  64.000  1.00 15.17           C  
-ATOM  13979  C   ASN I  90      94.884 158.226  62.738  1.00 14.91           C  
-ATOM  13980  O   ASN I  90      96.018 157.980  62.335  1.00 14.41           O  
-ATOM  13981  CB  ASN I  90      95.739 158.789  65.064  1.00 14.70           C  
-ATOM  13982  CG  ASN I  90      95.539 157.474  65.755  1.00 15.54           C  
-ATOM  13983  OD1 ASN I  90      94.402 157.060  66.011  1.00 15.85           O  
-ATOM  13984  ND2 ASN I  90      96.634 156.809  66.086  1.00 13.86           N  
-ATOM  13985  N   ALA I  91      93.791 157.803  62.115  1.00 14.42           N  
-ATOM  13986  CA  ALA I  91      93.877 157.089  60.843  1.00 14.89           C  
-ATOM  13987  C   ALA I  91      94.327 158.045  59.747  1.00 15.00           C  
-ATOM  13988  O   ALA I  91      93.954 159.237  59.713  1.00 14.20           O  
-ATOM  13989  CB  ALA I  91      92.540 156.441  60.487  1.00 14.93           C  
-ATOM  13990  N   ILE I  92      95.197 157.540  58.886  1.00 15.14           N  
-ATOM  13991  CA  ILE I  92      95.662 158.366  57.780  1.00 16.11           C  
-ATOM  13992  C   ILE I  92      95.289 157.718  56.461  1.00 16.57           C  
-ATOM  13993  O   ILE I  92      95.725 158.165  55.407  1.00 16.42           O  
-ATOM  13994  CB  ILE I  92      97.213 158.645  57.889  1.00 16.33           C  
-ATOM  13995  CG1 ILE I  92      97.991 157.322  57.985  1.00 15.84           C  
-ATOM  13996  CG2 ILE I  92      97.519 159.586  59.085  1.00 15.04           C  
-ATOM  13997  CD1 ILE I  92      99.468 157.451  57.788  1.00 15.86           C  
-ATOM  13998  N   SER I  93      94.496 156.652  56.521  1.00 17.08           N  
-ATOM  13999  CA  SER I  93      93.934 156.088  55.296  1.00 18.39           C  
-ATOM  14000  C   SER I  93      92.490 155.735  55.577  1.00 19.25           C  
-ATOM  14001  O   SER I  93      92.106 155.581  56.747  1.00 19.19           O  
-ATOM  14002  CB  SER I  93      94.726 154.850  54.803  1.00 18.18           C  
-ATOM  14003  OG  SER I  93      94.558 153.733  55.679  1.00 18.21           O  
-ATOM  14004  N   LYS I  94      91.702 155.635  54.497  1.00 21.21           N  
-ATOM  14005  CA  LYS I  94      90.311 155.187  54.597  1.00 23.16           C  
-ATOM  14006  C   LYS I  94      90.359 153.721  55.048  1.00 22.96           C  
-ATOM  14007  O   LYS I  94      91.264 152.979  54.635  1.00 22.69           O  
-ATOM  14008  CB  LYS I  94      89.617 155.334  53.225  1.00 24.78           C  
-ATOM  14009  CG  LYS I  94      88.073 155.270  53.239  1.00 28.38           C  
-ATOM  14010  CD  LYS I  94      87.492 155.516  51.812  1.00 30.68           C  
-ATOM  14011  CE  LYS I  94      86.026 156.019  51.873  1.00 34.57           C  
-ATOM  14012  NZ  LYS I  94      85.041 155.463  50.855  1.00 34.69           N  
-ATOM  14013  N   PRO I  95      89.451 153.313  55.926  1.00 22.87           N  
-ATOM  14014  CA  PRO I  95      89.422 151.915  56.364  1.00 22.92           C  
-ATOM  14015  C   PRO I  95      89.144 151.030  55.159  1.00 23.12           C  
-ATOM  14016  O   PRO I  95      88.271 151.309  54.341  1.00 24.08           O  
-ATOM  14017  CB  PRO I  95      88.240 151.859  57.323  1.00 22.99           C  
-ATOM  14018  CG  PRO I  95      87.956 153.322  57.711  1.00 23.21           C  
-ATOM  14019  CD  PRO I  95      88.388 154.135  56.555  1.00 23.51           C  
-ATOM  14020  N   GLU I  96      89.912 149.973  55.039  1.00 22.35           N  
-ATOM  14021  CA  GLU I  96      89.661 148.971  54.031  1.00 22.85           C  
-ATOM  14022  C   GLU I  96      89.031 147.748  54.723  1.00 21.58           C  
-ATOM  14023  O   GLU I  96      89.698 147.058  55.480  1.00 21.49           O  
-ATOM  14024  CB  GLU I  96      90.989 148.639  53.371  1.00 23.43           C  
-ATOM  14025  CG  GLU I  96      90.921 147.802  52.092  1.00 28.41           C  
-ATOM  14026  CD  GLU I  96      92.314 147.515  51.519  1.00 35.29           C  
-ATOM  14027  OE1 GLU I  96      93.227 148.378  51.703  1.00 38.54           O  
-ATOM  14028  OE2 GLU I  96      92.512 146.441  50.866  1.00 38.58           O  
-ATOM  14029  N   VAL I  97      87.731 147.545  54.511  1.00 20.63           N  
-ATOM  14030  CA  VAL I  97      87.010 146.389  55.046  1.00 19.58           C  
-ATOM  14031  C   VAL I  97      87.291 145.168  54.180  1.00 19.29           C  
-ATOM  14032  O   VAL I  97      87.027 145.171  52.975  1.00 18.65           O  
-ATOM  14033  CB  VAL I  97      85.470 146.633  55.143  1.00 19.85           C  
-ATOM  14034  CG1 VAL I  97      84.796 145.449  55.820  1.00 18.43           C  
-ATOM  14035  CG2 VAL I  97      85.152 147.955  55.943  1.00 18.70           C  
-ATOM  14036  N   LEU I  98      87.829 144.139  54.803  1.00 18.41           N  
-ATOM  14037  CA  LEU I  98      88.279 142.960  54.093  1.00 18.85           C  
-ATOM  14038  C   LEU I  98      87.219 141.870  54.050  1.00 18.57           C  
-ATOM  14039  O   LEU I  98      87.325 140.998  53.213  1.00 18.95           O  
-ATOM  14040  CB  LEU I  98      89.582 142.423  54.711  1.00 18.68           C  
-ATOM  14041  CG  LEU I  98      90.746 143.430  54.924  1.00 19.87           C  
-ATOM  14042  CD1 LEU I  98      91.973 142.773  55.571  1.00 18.87           C  
-ATOM  14043  CD2 LEU I  98      91.176 144.083  53.609  1.00 20.41           C  
-ATOM  14044  N   THR I  99      86.180 141.966  54.900  1.00 17.94           N  
-ATOM  14045  CA  THR I  99      85.229 140.866  55.087  1.00 17.84           C  
-ATOM  14046  C   THR I  99      83.841 141.214  54.611  1.00 18.16           C  
-ATOM  14047  O   THR I  99      83.566 142.391  54.426  1.00 18.79           O  
-ATOM  14048  CB  THR I  99      85.173 140.485  56.574  1.00 17.59           C  
-ATOM  14049  OG1 THR I  99      85.285 141.671  57.369  1.00 16.79           O  
-ATOM  14050  CG2 THR I  99      86.414 139.721  56.957  1.00 16.34           C  
-ATOM  14051  N   PRO I 100      82.964 140.224  54.400  1.00 18.47           N  
-ATOM  14052  CA  PRO I 100      81.553 140.511  54.118  1.00 18.25           C  
-ATOM  14053  C   PRO I 100      80.944 141.442  55.181  1.00 18.66           C  
-ATOM  14054  O   PRO I 100      81.117 141.246  56.410  1.00 17.62           O  
-ATOM  14055  CB  PRO I 100      80.896 139.128  54.200  1.00 18.20           C  
-ATOM  14056  CG  PRO I 100      82.002 138.178  53.761  1.00 19.06           C  
-ATOM  14057  CD  PRO I 100      83.246 138.769  54.379  1.00 17.85           C  
-ATOM  14058  N   GLN I 101      80.187 142.423  54.708  1.00 18.57           N  
-ATOM  14059  CA  GLN I 101      79.642 143.431  55.601  1.00 19.26           C  
-ATOM  14060  C   GLN I 101      78.282 143.036  56.200  1.00 18.81           C  
-ATOM  14061  O   GLN I 101      77.278 143.672  55.947  1.00 18.56           O  
-ATOM  14062  CB  GLN I 101      79.625 144.799  54.882  1.00 19.60           C  
-ATOM  14063  CG  GLN I 101      81.063 145.368  54.703  1.00 23.37           C  
-ATOM  14064  CD  GLN I 101      81.142 146.654  53.848  1.00 29.03           C  
-ATOM  14065  OE1 GLN I 101      80.443 147.643  54.120  1.00 31.75           O  
-ATOM  14066  NE2 GLN I 101      81.993 146.639  52.819  1.00 29.22           N  
-ATOM  14067  N   LEU I 102      78.306 141.994  57.038  1.00 18.25           N  
-ATOM  14068  CA  LEU I 102      77.144 141.445  57.701  1.00 17.46           C  
-ATOM  14069  C   LEU I 102      77.318 141.554  59.206  1.00 17.07           C  
-ATOM  14070  O   LEU I 102      78.409 141.340  59.737  1.00 16.89           O  
-ATOM  14071  CB  LEU I 102      76.931 139.983  57.301  1.00 17.77           C  
-ATOM  14072  CG  LEU I 102      76.864 139.606  55.817  1.00 20.24           C  
-ATOM  14073  CD1 LEU I 102      76.819 138.077  55.638  1.00 21.47           C  
-ATOM  14074  CD2 LEU I 102      75.658 140.194  55.152  1.00 20.16           C  
-ATOM  14075  N   ALA I 103      76.255 141.917  59.899  1.00 15.91           N  
-ATOM  14076  CA  ALA I 103      76.263 141.917  61.343  1.00 16.30           C  
-ATOM  14077  C   ALA I 103      75.424 140.728  61.785  1.00 16.62           C  
-ATOM  14078  O   ALA I 103      74.508 140.317  61.077  1.00 17.20           O  
-ATOM  14079  CB  ALA I 103      75.632 143.210  61.904  1.00 15.95           C  
-ATOM  14080  N   ARG I 104      75.730 140.213  62.963  1.00 16.17           N  
-ATOM  14081  CA  ARG I 104      74.928 139.187  63.578  1.00 16.12           C  
-ATOM  14082  C   ARG I 104      73.899 139.824  64.532  1.00 15.62           C  
-ATOM  14083  O   ARG I 104      74.255 140.624  65.390  1.00 16.18           O  
-ATOM  14084  CB  ARG I 104      75.871 138.226  64.279  1.00 16.03           C  
-ATOM  14085  CG  ARG I 104      75.270 136.906  64.562  1.00 17.99           C  
-ATOM  14086  CD  ARG I 104      75.148 135.978  63.377  1.00 17.71           C  
-ATOM  14087  NE  ARG I 104      74.572 134.749  63.876  1.00 15.97           N  
-ATOM  14088  CZ  ARG I 104      74.007 133.808  63.117  1.00 17.32           C  
-ATOM  14089  NH1 ARG I 104      73.960 133.935  61.786  1.00 13.28           N  
-ATOM  14090  NH2 ARG I 104      73.523 132.719  63.706  1.00 14.22           N  
-ATOM  14091  N   VAL I 105      72.621 139.520  64.354  1.00 14.78           N  
-ATOM  14092  CA  VAL I 105      71.587 140.120  65.215  1.00 14.56           C  
-ATOM  14093  C   VAL I 105      70.868 139.022  66.052  1.00 14.75           C  
-ATOM  14094  O   VAL I 105      70.362 138.045  65.509  1.00 14.66           O  
-ATOM  14095  CB  VAL I 105      70.563 140.930  64.365  1.00 14.77           C  
-ATOM  14096  CG1 VAL I 105      69.442 141.515  65.216  1.00 14.01           C  
-ATOM  14097  CG2 VAL I 105      71.275 142.007  63.539  1.00 14.10           C  
-ATOM  14098  N   VAL I 106      70.830 139.196  67.368  1.00 14.27           N  
-ATOM  14099  CA  VAL I 106      70.147 138.272  68.262  1.00 14.33           C  
-ATOM  14100  C   VAL I 106      68.733 138.768  68.442  1.00 14.48           C  
-ATOM  14101  O   VAL I 106      68.469 139.972  68.231  1.00 14.12           O  
-ATOM  14102  CB  VAL I 106      70.914 138.167  69.623  1.00 14.81           C  
-ATOM  14103  CG1 VAL I 106      70.367 137.028  70.525  1.00 13.18           C  
-ATOM  14104  CG2 VAL I 106      72.408 137.936  69.345  1.00 14.82           C  
-ATOM  14105  N   SER I 107      67.817 137.868  68.804  1.00 14.31           N  
-ATOM  14106  CA  SER I 107      66.400 138.193  68.879  1.00 14.95           C  
-ATOM  14107  C   SER I 107      66.017 139.217  69.943  1.00 15.50           C  
-ATOM  14108  O   SER I 107      64.915 139.764  69.890  1.00 14.96           O  
-ATOM  14109  CB  SER I 107      65.575 136.920  69.100  1.00 15.10           C  
-ATOM  14110  OG  SER I 107      65.819 136.375  70.377  1.00 14.41           O  
-ATOM  14111  N   ASP I 108      66.897 139.468  70.915  1.00 16.18           N  
-ATOM  14112  CA  ASP I 108      66.640 140.519  71.908  1.00 17.76           C  
-ATOM  14113  C   ASP I 108      67.156 141.894  71.440  1.00 17.56           C  
-ATOM  14114  O   ASP I 108      67.072 142.882  72.164  1.00 17.70           O  
-ATOM  14115  CB  ASP I 108      67.213 140.153  73.291  1.00 18.13           C  
-ATOM  14116  CG  ASP I 108      68.735 139.997  73.290  1.00 21.34           C  
-ATOM  14117  OD1 ASP I 108      69.405 140.300  72.262  1.00 23.31           O  
-ATOM  14118  OD2 ASP I 108      69.348 139.583  74.304  1.00 24.67           O  
-ATOM  14119  N   GLY I 109      67.711 141.952  70.243  1.00 17.46           N  
-ATOM  14120  CA  GLY I 109      68.186 143.225  69.736  1.00 17.47           C  
-ATOM  14121  C   GLY I 109      69.686 143.466  69.856  1.00 17.70           C  
-ATOM  14122  O   GLY I 109      70.163 144.529  69.439  1.00 17.86           O  
-ATOM  14123  N   GLU I 110      70.436 142.508  70.408  1.00 17.67           N  
-ATOM  14124  CA  GLU I 110      71.896 142.640  70.480  1.00 18.43           C  
-ATOM  14125  C   GLU I 110      72.499 142.465  69.100  1.00 17.55           C  
-ATOM  14126  O   GLU I 110      72.081 141.592  68.328  1.00 17.19           O  
-ATOM  14127  CB  GLU I 110      72.525 141.613  71.432  1.00 18.95           C  
-ATOM  14128  CG  GLU I 110      72.258 141.811  72.923  1.00 24.35           C  
-ATOM  14129  CD  GLU I 110      72.623 143.191  73.434  1.00 31.24           C  
-ATOM  14130  OE1 GLU I 110      73.797 143.628  73.250  1.00 33.74           O  
-ATOM  14131  OE2 GLU I 110      71.723 143.848  74.017  1.00 34.35           O  
-ATOM  14132  N   VAL I 111      73.466 143.310  68.793  1.00 16.60           N  
-ATOM  14133  CA  VAL I 111      74.115 143.289  67.482  1.00 16.08           C  
-ATOM  14134  C   VAL I 111      75.636 143.129  67.651  1.00 16.28           C  
-ATOM  14135  O   VAL I 111      76.247 143.796  68.484  1.00 15.46           O  
-ATOM  14136  CB  VAL I 111      73.829 144.608  66.656  1.00 15.80           C  
-ATOM  14137  CG1 VAL I 111      74.356 144.515  65.254  1.00 15.27           C  
-ATOM  14138  CG2 VAL I 111      72.362 144.933  66.638  1.00 14.26           C  
-ATOM  14139  N   LEU I 112      76.229 142.253  66.844  1.00 16.05           N  
-ATOM  14140  CA  LEU I 112      77.666 142.100  66.762  1.00 16.24           C  
-ATOM  14141  C   LEU I 112      78.085 142.372  65.322  1.00 16.62           C  
-ATOM  14142  O   LEU I 112      77.644 141.677  64.390  1.00 15.93           O  
-ATOM  14143  CB  LEU I 112      78.099 140.689  67.202  1.00 16.75           C  
-ATOM  14144  CG  LEU I 112      79.561 140.310  66.905  1.00 18.81           C  
-ATOM  14145  CD1 LEU I 112      80.558 141.226  67.650  1.00 16.25           C  
-ATOM  14146  CD2 LEU I 112      79.834 138.817  67.256  1.00 19.78           C  
-ATOM  14147  N   TYR I 113      78.894 143.413  65.121  1.00 16.39           N  
-ATOM  14148  CA  TYR I 113      79.476 143.658  63.831  1.00 17.18           C  
-ATOM  14149  C   TYR I 113      80.979 143.611  64.048  1.00 17.45           C  
-ATOM  14150  O   TYR I 113      81.484 144.335  64.898  1.00 17.40           O  
-ATOM  14151  CB  TYR I 113      79.048 145.051  63.319  1.00 17.50           C  
-ATOM  14152  CG  TYR I 113      79.625 145.373  61.968  1.00 18.76           C  
-ATOM  14153  CD1 TYR I 113      79.654 144.406  60.951  1.00 19.90           C  
-ATOM  14154  CD2 TYR I 113      80.147 146.630  61.699  1.00 19.81           C  
-ATOM  14155  CE1 TYR I 113      80.191 144.692  59.701  1.00 21.85           C  
-ATOM  14156  CE2 TYR I 113      80.684 146.947  60.456  1.00 19.41           C  
-ATOM  14157  CZ  TYR I 113      80.712 145.980  59.461  1.00 22.86           C  
-ATOM  14158  OH  TYR I 113      81.277 146.315  58.242  1.00 26.35           O  
-ATOM  14159  N   MET I 114      81.691 142.788  63.276  1.00 17.00           N  
-ATOM  14160  CA  MET I 114      83.113 142.520  63.495  1.00 17.19           C  
-ATOM  14161  C   MET I 114      83.843 142.410  62.163  1.00 16.85           C  
-ATOM  14162  O   MET I 114      84.257 141.307  61.739  1.00 16.80           O  
-ATOM  14163  CB  MET I 114      83.303 141.215  64.296  1.00 17.58           C  
-ATOM  14164  CG  MET I 114      84.728 140.992  64.775  1.00 20.48           C  
-ATOM  14165  SD  MET I 114      84.944 140.048  66.270  1.00 27.13           S  
-ATOM  14166  CE  MET I 114      83.401 139.326  66.468  1.00 26.64           C  
-ATOM  14167  N   PRO I 115      83.998 143.538  61.478  1.00 16.42           N  
-ATOM  14168  CA  PRO I 115      84.733 143.559  60.211  1.00 16.40           C  
-ATOM  14169  C   PRO I 115      86.232 143.392  60.418  1.00 16.51           C  
-ATOM  14170  O   PRO I 115      86.722 143.767  61.463  1.00 16.35           O  
-ATOM  14171  CB  PRO I 115      84.431 144.953  59.651  1.00 16.50           C  
-ATOM  14172  CG  PRO I 115      84.189 145.784  60.866  1.00 16.14           C  
-ATOM  14173  CD  PRO I 115      83.473 144.872  61.848  1.00 16.35           C  
-ATOM  14174  N   SER I 116      86.925 142.791  59.456  1.00 16.25           N  
-ATOM  14175  CA  SER I 116      88.377 142.809  59.453  1.00 16.54           C  
-ATOM  14176  C   SER I 116      88.782 144.052  58.659  1.00 16.53           C  
-ATOM  14177  O   SER I 116      88.339 144.269  57.535  1.00 16.60           O  
-ATOM  14178  CB  SER I 116      88.946 141.556  58.806  1.00 16.47           C  
-ATOM  14179  OG  SER I 116      90.354 141.629  58.786  1.00 18.21           O  
-ATOM  14180  N   ILE I 117      89.623 144.859  59.238  1.00 16.76           N  
-ATOM  14181  CA  ILE I 117      89.921 146.167  58.665  1.00 17.45           C  
-ATOM  14182  C   ILE I 117      91.417 146.289  58.483  1.00 17.18           C  
-ATOM  14183  O   ILE I 117      92.184 145.866  59.342  1.00 17.04           O  
-ATOM  14184  CB  ILE I 117      89.363 147.289  59.559  1.00 18.07           C  
-ATOM  14185  CG1 ILE I 117      87.829 147.332  59.436  1.00 19.79           C  
-ATOM  14186  CG2 ILE I 117      89.976 148.696  59.171  1.00 17.62           C  
-ATOM  14187  CD1 ILE I 117      87.113 148.409  60.265  1.00 20.31           C  
-ATOM  14188  N   ARG I 118      91.818 146.784  57.326  1.00 17.21           N  
-ATOM  14189  CA  ARG I 118      93.187 147.215  57.104  1.00 17.41           C  
-ATOM  14190  C   ARG I 118      93.221 148.734  57.047  1.00 17.28           C  
-ATOM  14191  O   ARG I 118      92.486 149.357  56.286  1.00 17.13           O  
-ATOM  14192  CB  ARG I 118      93.749 146.664  55.808  1.00 17.75           C  
-ATOM  14193  CG  ARG I 118      95.231 146.974  55.656  1.00 19.26           C  
-ATOM  14194  CD  ARG I 118      95.841 146.493  54.367  1.00 23.07           C  
-ATOM  14195  NE  ARG I 118      97.254 146.826  54.321  1.00 26.54           N  
-ATOM  14196  CZ  ARG I 118      98.176 146.190  53.601  1.00 28.16           C  
-ATOM  14197  NH1 ARG I 118      97.847 145.138  52.848  1.00 27.93           N  
-ATOM  14198  NH2 ARG I 118      99.444 146.612  53.645  1.00 27.60           N  
-ATOM  14199  N   GLN I 119      94.088 149.336  57.837  1.00 16.64           N  
-ATOM  14200  CA  GLN I 119      94.111 150.771  57.950  1.00 16.55           C  
-ATOM  14201  C   GLN I 119      95.518 151.222  58.413  1.00 16.40           C  
-ATOM  14202  O   GLN I 119      96.178 150.486  59.153  1.00 16.09           O  
-ATOM  14203  CB  GLN I 119      93.020 151.227  58.926  1.00 16.47           C  
-ATOM  14204  CG  GLN I 119      92.736 152.721  58.866  1.00 17.46           C  
-ATOM  14205  CD  GLN I 119      91.429 153.108  59.529  1.00 18.04           C  
-ATOM  14206  OE1 GLN I 119      90.998 152.463  60.490  1.00 19.81           O  
-ATOM  14207  NE2 GLN I 119      90.787 154.150  58.999  1.00 17.80           N  
-ATOM  14208  N   ARG I 120      95.986 152.383  57.946  1.00 15.08           N  
-ATOM  14209  CA  ARG I 120      97.268 152.908  58.368  1.00 16.37           C  
-ATOM  14210  C   ARG I 120      97.073 154.000  59.403  1.00 16.02           C  
-ATOM  14211  O   ARG I 120      96.113 154.744  59.310  1.00 15.68           O  
-ATOM  14212  CB  ARG I 120      98.041 153.524  57.209  1.00 17.29           C  
-ATOM  14213  CG  ARG I 120      98.412 152.618  56.093  1.00 21.32           C  
-ATOM  14214  CD  ARG I 120      99.152 153.361  54.990  1.00 30.37           C  
-ATOM  14215  NE  ARG I 120     100.599 153.386  55.240  1.00 34.15           N  
-ATOM  14216  CZ  ARG I 120     101.297 154.465  55.563  1.00 36.48           C  
-ATOM  14217  NH1 ARG I 120     100.711 155.650  55.680  1.00 36.17           N  
-ATOM  14218  NH2 ARG I 120     102.602 154.355  55.765  1.00 37.83           N  
-ATOM  14219  N   PHE I 121      98.007 154.126  60.356  1.00 15.66           N  
-ATOM  14220  CA  PHE I 121      97.858 155.108  61.429  1.00 15.90           C  
-ATOM  14221  C   PHE I 121      99.113 155.933  61.672  1.00 15.90           C  
-ATOM  14222  O   PHE I 121     100.228 155.500  61.407  1.00 15.54           O  
-ATOM  14223  CB  PHE I 121      97.452 154.482  62.765  1.00 14.38           C  
-ATOM  14224  CG  PHE I 121      96.202 153.630  62.697  1.00 16.54           C  
-ATOM  14225  CD1 PHE I 121      94.945 154.181  63.010  1.00 14.82           C  
-ATOM  14226  CD2 PHE I 121      96.283 152.259  62.365  1.00 12.01           C  
-ATOM  14227  CE1 PHE I 121      93.796 153.399  62.978  1.00 13.09           C  
-ATOM  14228  CE2 PHE I 121      95.129 151.475  62.340  1.00 13.56           C  
-ATOM  14229  CZ  PHE I 121      93.880 152.044  62.615  1.00 12.00           C  
-ATOM  14230  N   SER I 122      98.889 157.131  62.194  1.00 15.71           N  
-ATOM  14231  CA  SER I 122      99.959 157.989  62.646  1.00 16.21           C  
-ATOM  14232  C   SER I 122     100.054 157.723  64.139  1.00 16.73           C  
-ATOM  14233  O   SER I 122      99.078 157.914  64.881  1.00 16.06           O  
-ATOM  14234  CB  SER I 122      99.621 159.443  62.360  1.00 15.76           C  
-ATOM  14235  OG  SER I 122     100.476 160.326  63.071  1.00 16.28           O  
-ATOM  14236  N   CYS I 123     101.213 157.246  64.573  1.00 17.57           N  
-ATOM  14237  CA  CYS I 123     101.445 156.948  65.995  1.00 19.74           C  
-ATOM  14238  C   CYS I 123     102.904 156.745  66.309  1.00 19.25           C  
-ATOM  14239  O   CYS I 123     103.741 156.778  65.427  1.00 19.32           O  
-ATOM  14240  CB  CYS I 123     100.621 155.735  66.481  1.00 20.49           C  
-ATOM  14241  SG  CYS I 123     101.013 154.183  65.643  1.00 25.90           S  
-ATOM  14242  N   ASP I 124     103.199 156.558  67.587  1.00 19.47           N  
-ATOM  14243  CA  ASP I 124     104.575 156.458  68.068  1.00 19.26           C  
-ATOM  14244  C   ASP I 124     105.185 155.121  67.712  1.00 19.25           C  
-ATOM  14245  O   ASP I 124     104.862 154.100  68.316  1.00 19.40           O  
-ATOM  14246  CB  ASP I 124     104.614 156.647  69.580  1.00 19.30           C  
-ATOM  14247  CG  ASP I 124     106.006 157.029  70.095  1.00 20.15           C  
-ATOM  14248  OD1 ASP I 124     106.991 157.076  69.315  1.00 19.27           O  
-ATOM  14249  OD2 ASP I 124     106.207 157.285  71.298  1.00 21.31           O  
-ATOM  14250  N   VAL I 125     106.054 155.128  66.716  1.00 18.89           N  
-ATOM  14251  CA  VAL I 125     106.729 153.918  66.285  1.00 18.66           C  
-ATOM  14252  C   VAL I 125     108.120 153.772  66.938  1.00 18.57           C  
-ATOM  14253  O   VAL I 125     108.786 152.745  66.780  1.00 18.39           O  
-ATOM  14254  CB  VAL I 125     106.774 153.836  64.730  1.00 18.96           C  
-ATOM  14255  CG1 VAL I 125     107.499 152.605  64.268  1.00 19.06           C  
-ATOM  14256  CG2 VAL I 125     105.340 153.775  64.157  1.00 18.32           C  
-ATOM  14257  N   SER I 126     108.549 154.782  67.698  1.00 18.26           N  
-ATOM  14258  CA  SER I 126     109.868 154.739  68.317  1.00 18.31           C  
-ATOM  14259  C   SER I 126     109.999 153.537  69.254  1.00 18.00           C  
-ATOM  14260  O   SER I 126     109.065 153.178  69.969  1.00 17.59           O  
-ATOM  14261  CB  SER I 126     110.209 156.041  69.061  1.00 18.31           C  
-ATOM  14262  OG  SER I 126     109.408 156.174  70.217  1.00 18.69           O  
-ATOM  14263  N   GLY I 127     111.171 152.919  69.217  1.00 17.74           N  
-ATOM  14264  CA  GLY I 127     111.456 151.758  70.033  1.00 17.51           C  
-ATOM  14265  C   GLY I 127     110.987 150.428  69.470  1.00 17.12           C  
-ATOM  14266  O   GLY I 127     111.166 149.403  70.121  1.00 17.12           O  
-ATOM  14267  N   VAL I 128     110.436 150.426  68.261  1.00 16.77           N  
-ATOM  14268  CA  VAL I 128     109.909 149.187  67.665  1.00 16.97           C  
-ATOM  14269  C   VAL I 128     110.950 148.062  67.622  1.00 17.31           C  
-ATOM  14270  O   VAL I 128     110.581 146.884  67.625  1.00 17.06           O  
-ATOM  14271  CB  VAL I 128     109.259 149.410  66.277  1.00 16.77           C  
-ATOM  14272  CG1 VAL I 128     110.290 149.812  65.223  1.00 16.61           C  
-ATOM  14273  CG2 VAL I 128     108.494 148.176  65.850  1.00 16.93           C  
-ATOM  14274  N   ASP I 129     112.233 148.440  67.633  1.00 18.09           N  
-ATOM  14275  CA  ASP I 129     113.326 147.484  67.603  1.00 19.99           C  
-ATOM  14276  C   ASP I 129     114.012 147.154  68.947  1.00 20.06           C  
-ATOM  14277  O   ASP I 129     114.786 146.217  68.994  1.00 20.15           O  
-ATOM  14278  CB  ASP I 129     114.367 147.836  66.524  1.00 20.55           C  
-ATOM  14279  CG  ASP I 129     114.617 146.666  65.600  1.00 23.24           C  
-ATOM  14280  OD1 ASP I 129     113.680 145.858  65.498  1.00 27.92           O  
-ATOM  14281  OD2 ASP I 129     115.675 146.418  64.971  1.00 25.32           O  
-ATOM  14282  N   THR I 130     113.723 147.896  70.023  1.00 20.18           N  
-ATOM  14283  CA  THR I 130     114.126 147.457  71.373  1.00 20.07           C  
-ATOM  14284  C   THR I 130     113.330 146.225  71.845  1.00 19.81           C  
-ATOM  14285  O   THR I 130     112.403 145.763  71.166  1.00 19.37           O  
-ATOM  14286  CB  THR I 130     113.951 148.577  72.438  1.00 20.21           C  
-ATOM  14287  OG1 THR I 130     112.549 148.820  72.650  1.00 19.98           O  
-ATOM  14288  CG2 THR I 130     114.496 149.905  71.957  1.00 20.49           C  
-ATOM  14289  N   GLU I 131     113.703 145.725  73.026  1.00 19.48           N  
-ATOM  14290  CA  GLU I 131     112.985 144.655  73.724  1.00 19.13           C  
-ATOM  14291  C   GLU I 131     111.708 145.190  74.378  1.00 18.70           C  
-ATOM  14292  O   GLU I 131     110.744 144.428  74.540  1.00 18.29           O  
-ATOM  14293  CB  GLU I 131     113.866 143.981  74.803  1.00 19.36           C  
-ATOM  14294  CG  GLU I 131     115.309 143.687  74.405  1.00 20.62           C  
-ATOM  14295  CD  GLU I 131     116.324 144.171  75.447  1.00 24.10           C  
-ATOM  14296  OE1 GLU I 131     116.088 145.254  76.038  1.00 25.90           O  
-ATOM  14297  OE2 GLU I 131     117.357 143.478  75.684  1.00 20.38           O  
-ATOM  14298  N   SER I 132     111.691 146.479  74.752  1.00 18.25           N  
-ATOM  14299  CA  SER I 132     110.470 147.063  75.312  1.00 18.89           C  
-ATOM  14300  C   SER I 132     109.468 147.429  74.227  1.00 18.64           C  
-ATOM  14301  O   SER I 132     108.289 147.608  74.528  1.00 18.87           O  
-ATOM  14302  CB  SER I 132     110.724 148.259  76.257  1.00 19.31           C  
-ATOM  14303  OG  SER I 132     111.668 149.190  75.724  1.00 21.25           O  
-ATOM  14304  N   GLY I 133     109.942 147.536  72.980  1.00 18.58           N  
-ATOM  14305  CA  GLY I 133     109.099 147.789  71.820  1.00 17.98           C  
-ATOM  14306  C   GLY I 133     108.504 149.175  71.720  1.00 18.02           C  
-ATOM  14307  O   GLY I 133     108.771 150.034  72.553  1.00 17.29           O  
-ATOM  14308  N   ALA I 134     107.690 149.382  70.689  1.00 18.05           N  
-ATOM  14309  CA  ALA I 134     106.977 150.625  70.483  1.00 18.59           C  
-ATOM  14310  C   ALA I 134     105.566 150.507  71.065  1.00 19.17           C  
-ATOM  14311  O   ALA I 134     105.037 149.405  71.229  1.00 18.99           O  
-ATOM  14312  CB  ALA I 134     106.911 150.950  68.977  1.00 18.43           C  
-ATOM  14313  N   THR I 135     104.959 151.649  71.366  1.00 19.88           N  
-ATOM  14314  CA  THR I 135     103.555 151.678  71.742  1.00 20.66           C  
-ATOM  14315  C   THR I 135     102.767 152.615  70.842  1.00 21.32           C  
-ATOM  14316  O   THR I 135     102.877 153.837  70.934  1.00 21.65           O  
-ATOM  14317  CB  THR I 135     103.390 152.030  73.236  1.00 20.92           C  
-ATOM  14318  OG1 THR I 135     104.137 151.090  74.023  1.00 21.13           O  
-ATOM  14319  CG2 THR I 135     101.946 151.832  73.702  1.00 20.08           C  
-ATOM  14320  N   CYS I 136     101.978 152.015  69.965  1.00 21.53           N  
-ATOM  14321  CA  CYS I 136     101.120 152.738  69.072  1.00 22.64           C  
-ATOM  14322  C   CYS I 136      99.709 152.855  69.666  1.00 22.27           C  
-ATOM  14323  O   CYS I 136      99.074 151.866  70.011  1.00 22.27           O  
-ATOM  14324  CB  CYS I 136     101.076 152.005  67.740  1.00 22.75           C  
-ATOM  14325  SG  CYS I 136      99.918 152.735  66.618  1.00 28.49           S  
-ATOM  14326  N   ARG I 137      99.223 154.081  69.773  1.00 21.99           N  
-ATOM  14327  CA  ARG I 137      97.912 154.341  70.326  1.00 21.54           C  
-ATOM  14328  C   ARG I 137      96.890 154.606  69.226  1.00 20.47           C  
-ATOM  14329  O   ARG I 137      97.103 155.494  68.383  1.00 20.02           O  
-ATOM  14330  CB  ARG I 137      98.004 155.548  71.241  1.00 21.91           C  
-ATOM  14331  CG  ARG I 137      97.223 155.405  72.506  1.00 25.40           C  
-ATOM  14332  CD  ARG I 137      97.397 156.581  73.491  1.00 30.31           C  
-ATOM  14333  NE  ARG I 137      98.715 157.202  73.368  1.00 32.84           N  
-ATOM  14334  CZ  ARG I 137      99.776 156.875  74.101  1.00 35.30           C  
-ATOM  14335  NH1 ARG I 137      99.690 155.942  75.046  1.00 35.49           N  
-ATOM  14336  NH2 ARG I 137     100.935 157.490  73.897  1.00 35.61           N  
-ATOM  14337  N   ILE I 138      95.786 153.858  69.255  1.00 18.90           N  
-ATOM  14338  CA  ILE I 138      94.689 154.048  68.308  1.00 18.59           C  
-ATOM  14339  C   ILE I 138      93.429 154.587  68.998  1.00 18.04           C  
-ATOM  14340  O   ILE I 138      92.944 153.990  69.957  1.00 17.55           O  
-ATOM  14341  CB  ILE I 138      94.385 152.731  67.542  1.00 18.26           C  
-ATOM  14342  CG1 ILE I 138      95.562 152.372  66.636  1.00 17.90           C  
-ATOM  14343  CG2 ILE I 138      93.132 152.870  66.724  1.00 18.20           C  
-ATOM  14344  CD1 ILE I 138      95.487 150.953  66.094  1.00 19.22           C  
-ATOM  14345  N   LYS I 139      92.927 155.720  68.509  1.00 17.06           N  
-ATOM  14346  CA  LYS I 139      91.822 156.404  69.171  1.00 16.93           C  
-ATOM  14347  C   LYS I 139      90.545 156.292  68.341  1.00 16.62           C  
-ATOM  14348  O   LYS I 139      90.450 156.789  67.207  1.00 16.13           O  
-ATOM  14349  CB  LYS I 139      92.180 157.852  69.504  1.00 16.67           C  
-ATOM  14350  CG  LYS I 139      91.030 158.700  70.038  1.00 17.01           C  
-ATOM  14351  CD  LYS I 139      91.481 160.174  70.249  1.00 18.35           C  
-ATOM  14352  CE  LYS I 139      90.282 161.163  70.264  1.00 19.13           C  
-ATOM  14353  NZ  LYS I 139      90.716 162.623  70.385  1.00 20.93           N  
-ATOM  14354  N   ILE I 140      89.558 155.633  68.925  1.00 16.10           N  
-ATOM  14355  CA  ILE I 140      88.311 155.365  68.251  1.00 16.52           C  
-ATOM  14356  C   ILE I 140      87.082 155.881  69.010  1.00 15.80           C  
-ATOM  14357  O   ILE I 140      86.854 155.498  70.166  1.00 15.18           O  
-ATOM  14358  CB  ILE I 140      88.171 153.838  68.004  1.00 17.08           C  
-ATOM  14359  CG1 ILE I 140      89.288 153.419  67.060  1.00 19.00           C  
-ATOM  14360  CG2 ILE I 140      86.803 153.521  67.366  1.00 16.42           C  
-ATOM  14361  CD1 ILE I 140      89.354 151.960  66.746  1.00 23.37           C  
-ATOM  14362  N   GLY I 141      86.278 156.703  68.339  1.00 14.52           N  
-ATOM  14363  CA  GLY I 141      85.005 157.096  68.925  1.00 14.16           C  
-ATOM  14364  C   GLY I 141      83.991 157.477  67.884  1.00 13.80           C  
-ATOM  14365  O   GLY I 141      84.316 157.482  66.717  1.00 13.65           O  
-ATOM  14366  N   SER I 142      82.771 157.775  68.321  1.00 13.15           N  
-ATOM  14367  CA  SER I 142      81.758 158.254  67.423  1.00 13.16           C  
-ATOM  14368  C   SER I 142      82.191 159.572  66.842  1.00 13.01           C  
-ATOM  14369  O   SER I 142      82.641 160.423  67.560  1.00 12.75           O  
-ATOM  14370  CB  SER I 142      80.409 158.450  68.124  1.00 13.46           C  
-ATOM  14371  OG  SER I 142      79.503 159.053  67.216  1.00 12.90           O  
-ATOM  14372  N   TRP I 143      82.038 159.722  65.527  1.00 12.30           N  
-ATOM  14373  CA  TRP I 143      82.440 160.924  64.839  1.00 11.67           C  
-ATOM  14374  C   TRP I 143      81.490 162.099  65.122  1.00 11.55           C  
-ATOM  14375  O   TRP I 143      81.950 163.246  65.253  1.00 11.52           O  
-ATOM  14376  CB  TRP I 143      82.582 160.681  63.302  1.00 11.21           C  
-ATOM  14377  CG  TRP I 143      83.321 161.833  62.647  1.00 11.67           C  
-ATOM  14378  CD1 TRP I 143      82.809 162.762  61.797  1.00 12.13           C  
-ATOM  14379  CD2 TRP I 143      84.685 162.210  62.874  1.00 11.24           C  
-ATOM  14380  NE1 TRP I 143      83.782 163.671  61.448  1.00 11.39           N  
-ATOM  14381  CE2 TRP I 143      84.944 163.346  62.094  1.00 10.81           C  
-ATOM  14382  CE3 TRP I 143      85.724 161.680  63.652  1.00 10.92           C  
-ATOM  14383  CZ2 TRP I 143      86.194 163.983  62.075  1.00 12.59           C  
-ATOM  14384  CZ3 TRP I 143      86.984 162.281  63.590  1.00 11.95           C  
-ATOM  14385  CH2 TRP I 143      87.197 163.443  62.843  1.00 12.76           C  
-ATOM  14386  N   THR I 144      80.186 161.818  65.188  1.00 11.05           N  
-ATOM  14387  CA  THR I 144      79.166 162.869  65.287  1.00 10.72           C  
-ATOM  14388  C   THR I 144      78.212 162.776  66.454  1.00 10.40           C  
-ATOM  14389  O   THR I 144      77.331 163.596  66.517  1.00  9.63           O  
-ATOM  14390  CB  THR I 144      78.270 162.948  63.988  1.00 11.13           C  
-ATOM  14391  OG1 THR I 144      77.353 161.831  63.941  1.00  9.56           O  
-ATOM  14392  CG2 THR I 144      79.089 162.845  62.716  1.00 10.75           C  
-ATOM  14393  N   HIS I 145      78.319 161.751  67.300  1.00 10.40           N  
-ATOM  14394  CA  HIS I 145      77.380 161.621  68.421  1.00 10.49           C  
-ATOM  14395  C   HIS I 145      78.120 161.815  69.720  1.00 10.69           C  
-ATOM  14396  O   HIS I 145      79.044 161.076  69.998  1.00 10.90           O  
-ATOM  14397  CB  HIS I 145      76.729 160.265  68.444  1.00 10.59           C  
-ATOM  14398  CG  HIS I 145      75.788 160.013  67.305  1.00 10.56           C  
-ATOM  14399  ND1 HIS I 145      74.502 160.445  67.279  1.00  9.26           N  
-ATOM  14400  CD2 HIS I 145      75.911 159.282  66.195  1.00  8.01           C  
-ATOM  14401  CE1 HIS I 145      73.875 160.015  66.196  1.00  9.87           C  
-ATOM  14402  NE2 HIS I 145      74.730 159.345  65.492  1.00  9.77           N  
-ATOM  14403  N   HIS I 146      77.700 162.790  70.513  1.00 10.07           N  
-ATOM  14404  CA  HIS I 146      78.343 163.042  71.791  1.00 10.88           C  
-ATOM  14405  C   HIS I 146      77.924 162.036  72.895  1.00 11.09           C  
-ATOM  14406  O   HIS I 146      77.130 161.118  72.664  1.00 10.60           O  
-ATOM  14407  CB  HIS I 146      78.058 164.469  72.235  1.00 10.46           C  
-ATOM  14408  CG  HIS I 146      76.603 164.796  72.297  1.00 11.83           C  
-ATOM  14409  ND1 HIS I 146      75.761 164.294  73.249  1.00 11.97           N  
-ATOM  14410  CD2 HIS I 146      75.836 165.604  71.534  1.00 11.61           C  
-ATOM  14411  CE1 HIS I 146      74.543 164.771  73.069  1.00 12.31           C  
-ATOM  14412  NE2 HIS I 146      74.561 165.569  72.034  1.00 11.86           N  
-ATOM  14413  N   SER I 147      78.429 162.257  74.102  1.00 11.36           N  
-ATOM  14414  CA  SER I 147      78.321 161.297  75.185  1.00 11.37           C  
-ATOM  14415  C   SER I 147      76.897 160.994  75.613  1.00 11.49           C  
-ATOM  14416  O   SER I 147      76.672 159.973  76.219  1.00 12.23           O  
-ATOM  14417  CB  SER I 147      79.167 161.743  76.374  1.00 11.01           C  
-ATOM  14418  OG  SER I 147      78.679 162.977  76.861  1.00 11.85           O  
-ATOM  14419  N   ARG I 148      75.924 161.857  75.318  1.00 12.10           N  
-ATOM  14420  CA  ARG I 148      74.538 161.575  75.721  1.00 12.03           C  
-ATOM  14421  C   ARG I 148      73.820 160.773  74.625  1.00 12.17           C  
-ATOM  14422  O   ARG I 148      72.672 160.352  74.771  1.00 11.78           O  
-ATOM  14423  CB  ARG I 148      73.790 162.853  76.078  1.00 12.54           C  
-ATOM  14424  CG  ARG I 148      74.376 163.593  77.305  1.00 14.14           C  
-ATOM  14425  CD  ARG I 148      73.660 164.927  77.678  1.00 19.41           C  
-ATOM  14426  NE  ARG I 148      73.533 165.909  76.573  1.00 22.07           N  
-ATOM  14427  CZ  ARG I 148      72.390 166.150  75.881  1.00 24.47           C  
-ATOM  14428  NH1 ARG I 148      71.249 165.483  76.172  1.00 23.10           N  
-ATOM  14429  NH2 ARG I 148      72.388 167.051  74.892  1.00 23.95           N  
-ATOM  14430  N   GLU I 149      74.530 160.524  73.529  1.00 11.60           N  
-ATOM  14431  CA  GLU I 149      73.953 159.756  72.447  1.00 12.00           C  
-ATOM  14432  C   GLU I 149      74.675 158.427  72.200  1.00 12.00           C  
-ATOM  14433  O   GLU I 149      74.017 157.429  71.994  1.00 11.75           O  
-ATOM  14434  CB  GLU I 149      73.885 160.580  71.173  1.00 11.75           C  
-ATOM  14435  CG  GLU I 149      72.892 161.730  71.280  1.00 13.00           C  
-ATOM  14436  CD  GLU I 149      72.923 162.635  70.062  1.00 16.16           C  
-ATOM  14437  OE1 GLU I 149      73.636 162.312  69.087  1.00 17.25           O  
-ATOM  14438  OE2 GLU I 149      72.210 163.653  70.040  1.00 16.83           O  
-ATOM  14439  N   ILE I 150      76.011 158.431  72.216  1.00 12.22           N  
-ATOM  14440  CA  ILE I 150      76.811 157.210  72.172  1.00 13.01           C  
-ATOM  14441  C   ILE I 150      77.880 157.232  73.230  1.00 13.99           C  
-ATOM  14442  O   ILE I 150      78.635 158.201  73.272  1.00 14.02           O  
-ATOM  14443  CB  ILE I 150      77.492 157.056  70.784  1.00 12.77           C  
-ATOM  14444  CG1 ILE I 150      76.453 156.729  69.729  1.00 12.20           C  
-ATOM  14445  CG2 ILE I 150      78.569 155.929  70.784  1.00 11.57           C  
-ATOM  14446  CD1 ILE I 150      77.055 156.389  68.336  1.00 11.30           C  
-ATOM  14447  N   SER I 151      77.910 156.206  74.090  1.00 14.92           N  
-ATOM  14448  CA  SER I 151      79.052 155.979  74.967  1.00 17.43           C  
-ATOM  14449  C   SER I 151      79.863 154.801  74.412  1.00 18.86           C  
-ATOM  14450  O   SER I 151      79.283 153.792  73.978  1.00 19.31           O  
-ATOM  14451  CB  SER I 151      78.628 155.723  76.419  1.00 17.57           C  
-ATOM  14452  OG  SER I 151      77.953 154.487  76.549  1.00 19.60           O  
-ATOM  14453  N   VAL I 152      81.182 154.935  74.377  1.00 20.24           N  
-ATOM  14454  CA  VAL I 152      82.029 153.832  73.947  1.00 22.51           C  
-ATOM  14455  C   VAL I 152      82.763 153.251  75.128  1.00 24.29           C  
-ATOM  14456  O   VAL I 152      83.316 153.980  75.943  1.00 24.49           O  
-ATOM  14457  CB  VAL I 152      83.021 154.214  72.794  1.00 22.76           C  
-ATOM  14458  CG1 VAL I 152      82.287 154.353  71.514  1.00 22.73           C  
-ATOM  14459  CG2 VAL I 152      83.731 155.506  73.080  1.00 23.39           C  
-ATOM  14460  N   ASP I 153      82.726 151.940  75.230  1.00 26.64           N  
-ATOM  14461  CA  ASP I 153      83.296 151.264  76.369  1.00 30.11           C  
-ATOM  14462  C   ASP I 153      84.172 150.133  75.830  1.00 31.57           C  
-ATOM  14463  O   ASP I 153      83.784 149.456  74.885  1.00 31.64           O  
-ATOM  14464  CB  ASP I 153      82.155 150.747  77.253  1.00 30.55           C  
-ATOM  14465  CG  ASP I 153      81.316 151.897  77.875  1.00 33.97           C  
-ATOM  14466  OD1 ASP I 153      80.053 151.940  77.716  1.00 36.74           O  
-ATOM  14467  OD2 ASP I 153      81.847 152.802  78.547  1.00 33.21           O  
-ATOM  14468  N   PRO I 154      85.370 149.944  76.369  1.00 33.48           N  
-ATOM  14469  CA  PRO I 154      86.130 148.732  76.033  1.00 35.13           C  
-ATOM  14470  C   PRO I 154      85.256 147.531  76.352  1.00 36.84           C  
-ATOM  14471  O   PRO I 154      84.496 147.580  77.336  1.00 36.55           O  
-ATOM  14472  CB  PRO I 154      87.342 148.773  76.971  1.00 34.88           C  
-ATOM  14473  CG  PRO I 154      87.108 149.914  77.903  1.00 34.50           C  
-ATOM  14474  CD  PRO I 154      86.095 150.830  77.293  1.00 33.70           C  
-ATOM  14475  N   THR I 155      85.305 146.498  75.510  1.00 39.04           N  
-ATOM  14476  CA  THR I 155      84.589 145.260  75.818  1.00 41.43           C  
-ATOM  14477  C   THR I 155      85.237 144.597  77.006  1.00 42.75           C  
-ATOM  14478  O   THR I 155      86.452 144.700  77.200  1.00 43.10           O  
-ATOM  14479  CB  THR I 155      84.529 144.296  74.606  1.00 41.64           C  
-ATOM  14480  OG1 THR I 155      85.667 143.422  74.603  1.00 41.95           O  
-ATOM  14481  CG2 THR I 155      84.677 145.063  73.323  1.00 41.94           C  
-ATOM  14482  N   THR I 156      84.419 143.937  77.815  1.00 45.13           N  
-ATOM  14483  CA  THR I 156      84.924 143.275  79.015  1.00 47.17           C  
-ATOM  14484  C   THR I 156      84.906 141.745  78.896  1.00 48.15           C  
-ATOM  14485  O   THR I 156      83.848 141.108  79.032  1.00 48.56           O  
-ATOM  14486  CB  THR I 156      84.177 143.757  80.311  1.00 47.32           C  
-ATOM  14487  OG1 THR I 156      82.979 144.476  79.967  1.00 48.14           O  
-ATOM  14488  CG2 THR I 156      85.020 144.785  81.078  1.00 47.55           C  
-ATOM  14489  N   GLU I 157      86.082 141.188  78.595  1.00 49.06           N  
-ATOM  14490  CA  GLU I 157      86.399 139.770  78.798  1.00 50.25           C  
-ATOM  14491  C   GLU I 157      87.868 139.724  79.185  1.00 50.32           C  
-ATOM  14492  O   GLU I 157      88.654 140.561  78.730  1.00 50.57           O  
-ATOM  14493  CB  GLU I 157      86.188 138.902  77.543  1.00 50.70           C  
-ATOM  14494  CG  GLU I 157      85.030 139.285  76.616  1.00 53.90           C  
-ATOM  14495  CD  GLU I 157      85.472 139.541  75.175  1.00 57.05           C  
-ATOM  14496  OE1 GLU I 157      85.710 140.725  74.822  1.00 58.49           O  
-ATOM  14497  OE2 GLU I 157      85.576 138.561  74.391  1.00 58.20           O  
-ATOM  14498  N   ASN I 158      88.233 138.752  80.023  1.00 50.46           N  
-ATOM  14499  CA  ASN I 158      89.616 138.553  80.482  1.00 50.58           C  
-ATOM  14500  C   ASN I 158      90.563 138.188  79.324  1.00 50.28           C  
-ATOM  14501  O   ASN I 158      91.690 137.713  79.547  1.00 50.49           O  
-ATOM  14502  CB  ASN I 158      89.652 137.448  81.557  1.00 50.54           C  
-ATOM  14503  CG  ASN I 158      90.227 137.929  82.886  1.00 51.31           C  
-ATOM  14504  OD1 ASN I 158      89.529 138.553  83.691  1.00 51.94           O  
-ATOM  14505  ND2 ASN I 158      91.501 137.621  83.130  1.00 51.18           N  
-ATOM  14506  N   SER I 159      90.092 138.436  78.100  1.00 49.50           N  
-ATOM  14507  CA  SER I 159      90.666 137.891  76.866  1.00 48.80           C  
-ATOM  14508  C   SER I 159      92.167 138.123  76.605  1.00 48.16           C  
-ATOM  14509  O   SER I 159      92.825 138.944  77.270  1.00 48.29           O  
-ATOM  14510  CB  SER I 159      89.841 138.344  75.657  1.00 48.94           C  
-ATOM  14511  OG  SER I 159      89.514 137.237  74.835  1.00 48.79           O  
-ATOM  14512  N   ASP I 160      92.673 137.373  75.620  1.00 46.89           N  
-ATOM  14513  CA  ASP I 160      94.089 137.321  75.248  1.00 45.36           C  
-ATOM  14514  C   ASP I 160      94.438 138.390  74.200  1.00 44.29           C  
-ATOM  14515  O   ASP I 160      93.537 139.048  73.634  1.00 43.81           O  
-ATOM  14516  CB  ASP I 160      94.434 135.917  74.730  1.00 45.40           C  
-ATOM  14517  CG  ASP I 160      95.855 135.510  75.044  1.00 45.48           C  
-ATOM  14518  OD1 ASP I 160      96.174 135.328  76.238  1.00 45.94           O  
-ATOM  14519  OD2 ASP I 160      96.722 135.344  74.161  1.00 45.39           O  
-ATOM  14520  N   ASP I 161      95.739 138.561  73.949  1.00 42.45           N  
-ATOM  14521  CA  ASP I 161      96.221 139.706  73.162  1.00 41.07           C  
-ATOM  14522  C   ASP I 161      96.650 139.311  71.754  1.00 39.65           C  
-ATOM  14523  O   ASP I 161      96.060 139.738  70.753  1.00 38.93           O  
-ATOM  14524  CB  ASP I 161      97.364 140.430  73.908  1.00 41.23           C  
-ATOM  14525  CG  ASP I 161      96.862 141.264  75.096  1.00 41.18           C  
-ATOM  14526  OD1 ASP I 161      95.628 141.447  75.229  1.00 40.80           O  
-ATOM  14527  OD2 ASP I 161      97.624 141.782  75.939  1.00 40.81           O  
-ATOM  14528  N   SER I 162      97.683 138.481  71.713  1.00 38.06           N  
-ATOM  14529  CA  SER I 162      98.228 137.914  70.488  1.00 36.44           C  
-ATOM  14530  C   SER I 162      97.424 136.674  70.006  1.00 35.19           C  
-ATOM  14531  O   SER I 162      97.944 135.835  69.259  1.00 35.35           O  
-ATOM  14532  CB  SER I 162      99.717 137.586  70.741  1.00 36.01           C  
-ATOM  14533  OG  SER I 162     100.285 136.777  69.735  1.00 34.98           O  
-ATOM  14534  N   GLU I 163      96.157 136.570  70.411  1.00 33.07           N  
-ATOM  14535  CA  GLU I 163      95.399 135.325  70.229  1.00 31.53           C  
-ATOM  14536  C   GLU I 163      95.092 134.994  68.743  1.00 30.12           C  
-ATOM  14537  O   GLU I 163      95.156 133.837  68.330  1.00 30.14           O  
-ATOM  14538  CB  GLU I 163      94.155 135.302  71.166  1.00 31.89           C  
-ATOM  14539  CG  GLU I 163      92.861 134.668  70.658  1.00 32.88           C  
-ATOM  14540  CD  GLU I 163      92.703 133.198  71.049  1.00 36.21           C  
-ATOM  14541  OE1 GLU I 163      93.742 132.490  71.137  1.00 36.04           O  
-ATOM  14542  OE2 GLU I 163      91.540 132.736  71.248  1.00 35.94           O  
-ATOM  14543  N   TYR I 164      94.785 136.006  67.941  1.00 27.78           N  
-ATOM  14544  CA  TYR I 164      94.577 135.784  66.506  1.00 25.48           C  
-ATOM  14545  C   TYR I 164      95.732 136.351  65.673  1.00 24.02           C  
-ATOM  14546  O   TYR I 164      95.747 136.241  64.440  1.00 23.52           O  
-ATOM  14547  CB  TYR I 164      93.205 136.334  66.084  1.00 24.73           C  
-ATOM  14548  CG  TYR I 164      92.139 135.655  66.879  1.00 24.63           C  
-ATOM  14549  CD1 TYR I 164      92.030 134.262  66.854  1.00 26.02           C  
-ATOM  14550  CD2 TYR I 164      91.294 136.371  67.720  1.00 23.12           C  
-ATOM  14551  CE1 TYR I 164      91.077 133.603  67.617  1.00 27.54           C  
-ATOM  14552  CE2 TYR I 164      90.327 135.727  68.481  1.00 26.44           C  
-ATOM  14553  CZ  TYR I 164      90.229 134.336  68.422  1.00 28.06           C  
-ATOM  14554  OH  TYR I 164      89.315 133.659  69.178  1.00 32.40           O  
-ATOM  14555  N   PHE I 165      96.710 136.941  66.362  1.00 21.67           N  
-ATOM  14556  CA  PHE I 165      97.807 137.580  65.670  1.00 19.68           C  
-ATOM  14557  C   PHE I 165      98.617 136.570  64.872  1.00 18.87           C  
-ATOM  14558  O   PHE I 165      98.932 135.475  65.355  1.00 18.38           O  
-ATOM  14559  CB  PHE I 165      98.685 138.348  66.624  1.00 19.28           C  
-ATOM  14560  CG  PHE I 165      99.606 139.301  65.939  1.00 18.38           C  
-ATOM  14561  CD1 PHE I 165      99.117 140.477  65.354  1.00 17.38           C  
-ATOM  14562  CD2 PHE I 165     100.962 139.016  65.855  1.00 17.15           C  
-ATOM  14563  CE1 PHE I 165      99.982 141.368  64.715  1.00 17.91           C  
-ATOM  14564  CE2 PHE I 165     101.823 139.885  65.228  1.00 17.37           C  
-ATOM  14565  CZ  PHE I 165     101.338 141.081  64.657  1.00 17.06           C  
-ATOM  14566  N   SER I 166      98.926 136.936  63.632  1.00 17.85           N  
-ATOM  14567  CA  SER I 166      99.638 136.046  62.727  1.00 17.27           C  
-ATOM  14568  C   SER I 166     101.012 135.639  63.259  1.00 16.66           C  
-ATOM  14569  O   SER I 166     101.800 136.492  63.654  1.00 15.66           O  
-ATOM  14570  CB  SER I 166      99.801 136.697  61.360  1.00 17.14           C  
-ATOM  14571  OG  SER I 166     100.603 135.868  60.506  1.00 16.87           O  
-ATOM  14572  N   GLN I 167     101.297 134.342  63.239  1.00 16.84           N  
-ATOM  14573  CA  GLN I 167     102.613 133.832  63.655  1.00 17.37           C  
-ATOM  14574  C   GLN I 167     103.679 134.138  62.592  1.00 17.10           C  
-ATOM  14575  O   GLN I 167     104.871 133.950  62.814  1.00 16.86           O  
-ATOM  14576  CB  GLN I 167     102.554 132.321  63.942  1.00 17.75           C  
-ATOM  14577  CG  GLN I 167     102.229 131.490  62.722  1.00 19.49           C  
-ATOM  14578  CD  GLN I 167     102.036 130.005  63.021  1.00 22.45           C  
-ATOM  14579  OE1 GLN I 167     103.012 129.278  63.329  1.00 22.44           O  
-ATOM  14580  NE2 GLN I 167     100.791 129.543  62.897  1.00 21.83           N  
-ATOM  14581  N   TYR I 168     103.238 134.619  61.438  1.00 17.07           N  
-ATOM  14582  CA  TYR I 168     104.129 134.812  60.299  1.00 16.99           C  
-ATOM  14583  C   TYR I 168     104.532 136.271  60.154  1.00 16.65           C  
-ATOM  14584  O   TYR I 168     105.448 136.596  59.403  1.00 16.74           O  
-ATOM  14585  CB  TYR I 168     103.507 134.251  59.003  1.00 17.09           C  
-ATOM  14586  CG  TYR I 168     103.211 132.770  59.105  1.00 17.01           C  
-ATOM  14587  CD1 TYR I 168     104.205 131.878  59.471  1.00 16.87           C  
-ATOM  14588  CD2 TYR I 168     101.928 132.266  58.886  1.00 16.92           C  
-ATOM  14589  CE1 TYR I 168     103.958 130.524  59.591  1.00 17.72           C  
-ATOM  14590  CE2 TYR I 168     101.662 130.883  59.005  1.00 16.64           C  
-ATOM  14591  CZ  TYR I 168     102.696 130.021  59.360  1.00 17.64           C  
-ATOM  14592  OH  TYR I 168     102.504 128.653  59.495  1.00 18.74           O  
-ATOM  14593  N   SER I 169     103.866 137.138  60.895  1.00 15.76           N  
-ATOM  14594  CA  SER I 169     104.276 138.530  60.977  1.00 15.74           C  
-ATOM  14595  C   SER I 169     105.754 138.711  61.359  1.00 15.84           C  
-ATOM  14596  O   SER I 169     106.355 137.881  62.051  1.00 15.14           O  
-ATOM  14597  CB  SER I 169     103.414 139.259  61.998  1.00 15.48           C  
-ATOM  14598  OG  SER I 169     103.753 140.620  62.041  1.00 15.67           O  
-ATOM  14599  N   ARG I 170     106.321 139.827  60.916  1.00 16.14           N  
-ATOM  14600  CA  ARG I 170     107.673 140.204  61.291  1.00 16.54           C  
-ATOM  14601  C   ARG I 170     107.685 140.729  62.708  1.00 15.65           C  
-ATOM  14602  O   ARG I 170     108.750 140.884  63.318  1.00 15.22           O  
-ATOM  14603  CB  ARG I 170     108.160 141.316  60.385  1.00 16.97           C  
-ATOM  14604  CG  ARG I 170     109.109 140.888  59.330  1.00 20.05           C  
-ATOM  14605  CD  ARG I 170     109.534 142.036  58.450  1.00 23.90           C  
-ATOM  14606  NE  ARG I 170     108.380 142.844  58.081  1.00 26.74           N  
-ATOM  14607  CZ  ARG I 170     108.446 144.076  57.595  1.00 27.81           C  
-ATOM  14608  NH1 ARG I 170     109.648 144.631  57.398  1.00 25.49           N  
-ATOM  14609  NH2 ARG I 170     107.303 144.731  57.297  1.00 25.34           N  
-ATOM  14610  N   PHE I 171     106.488 141.006  63.213  1.00 15.20           N  
-ATOM  14611  CA  PHE I 171     106.301 141.654  64.515  1.00 15.11           C  
-ATOM  14612  C   PHE I 171     105.645 140.715  65.499  1.00 14.99           C  
-ATOM  14613  O   PHE I 171     105.058 139.705  65.098  1.00 14.95           O  
-ATOM  14614  CB  PHE I 171     105.499 142.948  64.328  1.00 15.05           C  
-ATOM  14615  CG  PHE I 171     106.141 143.875  63.357  1.00 15.03           C  
-ATOM  14616  CD1 PHE I 171     105.771 143.865  62.012  1.00 14.57           C  
-ATOM  14617  CD2 PHE I 171     107.207 144.689  63.762  1.00 15.66           C  
-ATOM  14618  CE1 PHE I 171     106.430 144.688  61.087  1.00 15.46           C  
-ATOM  14619  CE2 PHE I 171     107.868 145.529  62.846  1.00 15.05           C  
-ATOM  14620  CZ  PHE I 171     107.479 145.527  61.508  1.00 15.80           C  
-ATOM  14621  N   GLU I 172     105.828 141.008  66.779  1.00 15.53           N  
-ATOM  14622  CA  GLU I 172     105.127 140.311  67.850  1.00 16.68           C  
-ATOM  14623  C   GLU I 172     104.485 141.328  68.778  1.00 16.97           C  
-ATOM  14624  O   GLU I 172     104.998 142.450  68.950  1.00 16.89           O  
-ATOM  14625  CB  GLU I 172     106.049 139.367  68.630  1.00 16.81           C  
-ATOM  14626  CG  GLU I 172     107.262 140.040  69.269  1.00 18.70           C  
-ATOM  14627  CD  GLU I 172     108.216 139.067  69.943  1.00 22.39           C  
-ATOM  14628  OE1 GLU I 172     107.805 137.921  70.226  1.00 25.06           O  
-ATOM  14629  OE2 GLU I 172     109.394 139.435  70.192  1.00 22.76           O  
-ATOM  14630  N   ILE I 173     103.343 140.949  69.345  1.00 17.46           N  
-ATOM  14631  CA  ILE I 173     102.613 141.833  70.255  1.00 17.99           C  
-ATOM  14632  C   ILE I 173     102.992 141.542  71.698  1.00 18.27           C  
-ATOM  14633  O   ILE I 173     102.955 140.401  72.137  1.00 18.31           O  
-ATOM  14634  CB  ILE I 173     101.128 141.673  70.051  1.00 17.98           C  
-ATOM  14635  CG1 ILE I 173     100.753 142.176  68.658  1.00 18.44           C  
-ATOM  14636  CG2 ILE I 173     100.351 142.398  71.155  1.00 18.04           C  
-ATOM  14637  CD1 ILE I 173      99.301 142.012  68.356  1.00 20.30           C  
-ATOM  14638  N   LEU I 174     103.393 142.580  72.417  1.00 18.73           N  
-ATOM  14639  CA  LEU I 174     103.808 142.400  73.800  1.00 19.22           C  
-ATOM  14640  C   LEU I 174     102.621 142.588  74.720  1.00 19.58           C  
-ATOM  14641  O   LEU I 174     102.460 141.841  75.683  1.00 19.70           O  
-ATOM  14642  CB  LEU I 174     104.947 143.345  74.168  1.00 18.95           C  
-ATOM  14643  CG  LEU I 174     106.210 143.227  73.318  1.00 19.38           C  
-ATOM  14644  CD1 LEU I 174     107.194 144.360  73.635  1.00 19.17           C  
-ATOM  14645  CD2 LEU I 174     106.861 141.861  73.515  1.00 18.79           C  
-ATOM  14646  N   ASP I 175     101.781 143.567  74.392  1.00 20.09           N  
-ATOM  14647  CA  ASP I 175     100.654 143.965  75.231  1.00 21.07           C  
-ATOM  14648  C   ASP I 175      99.661 144.830  74.475  1.00 20.82           C  
-ATOM  14649  O   ASP I 175     100.030 145.599  73.583  1.00 20.42           O  
-ATOM  14650  CB  ASP I 175     101.153 144.728  76.478  1.00 21.83           C  
-ATOM  14651  CG  ASP I 175     100.312 144.448  77.727  1.00 24.31           C  
-ATOM  14652  OD1 ASP I 175      99.206 143.850  77.631  1.00 26.55           O  
-ATOM  14653  OD2 ASP I 175     100.681 144.807  78.857  1.00 27.81           O  
-ATOM  14654  N   VAL I 176      98.394 144.678  74.839  1.00 21.40           N  
-ATOM  14655  CA  VAL I 176      97.307 145.528  74.356  1.00 21.91           C  
-ATOM  14656  C   VAL I 176      96.502 146.003  75.554  1.00 22.65           C  
-ATOM  14657  O   VAL I 176      95.962 145.181  76.306  1.00 22.98           O  
-ATOM  14658  CB  VAL I 176      96.376 144.788  73.382  1.00 21.85           C  
-ATOM  14659  CG1 VAL I 176      95.282 145.727  72.879  1.00 21.09           C  
-ATOM  14660  CG2 VAL I 176      97.171 144.228  72.211  1.00 21.00           C  
-ATOM  14661  N   THR I 177      96.467 147.315  75.766  1.00 23.16           N  
-ATOM  14662  CA  THR I 177      95.610 147.890  76.795  1.00 23.75           C  
-ATOM  14663  C   THR I 177      94.622 148.846  76.169  1.00 23.56           C  
-ATOM  14664  O   THR I 177      94.875 149.417  75.097  1.00 23.39           O  
-ATOM  14665  CB  THR I 177      96.418 148.575  77.940  1.00 23.93           C  
-ATOM  14666  OG1 THR I 177      97.361 149.490  77.391  1.00 25.20           O  
-ATOM  14667  CG2 THR I 177      97.305 147.561  78.682  1.00 24.69           C  
-ATOM  14668  N   GLN I 178      93.482 149.008  76.816  1.00 22.86           N  
-ATOM  14669  CA  GLN I 178      92.482 149.956  76.328  1.00 23.33           C  
-ATOM  14670  C   GLN I 178      91.978 150.813  77.449  1.00 22.38           C  
-ATOM  14671  O   GLN I 178      91.894 150.378  78.610  1.00 22.48           O  
-ATOM  14672  CB  GLN I 178      91.304 149.268  75.626  1.00 23.41           C  
-ATOM  14673  CG  GLN I 178      91.143 147.830  75.981  1.00 27.40           C  
-ATOM  14674  CD  GLN I 178      91.251 146.929  74.774  1.00 32.96           C  
-ATOM  14675  OE1 GLN I 178      90.511 147.098  73.774  1.00 36.57           O  
-ATOM  14676  NE2 GLN I 178      92.167 145.959  74.851  1.00 33.97           N  
-ATOM  14677  N   LYS I 179      91.597 152.020  77.065  1.00 21.80           N  
-ATOM  14678  CA  LYS I 179      91.364 153.108  77.987  1.00 20.82           C  
-ATOM  14679  C   LYS I 179      90.256 153.997  77.402  1.00 19.10           C  
-ATOM  14680  O   LYS I 179      90.355 154.442  76.257  1.00 19.24           O  
-ATOM  14681  CB  LYS I 179      92.678 153.887  78.136  1.00 21.28           C  
-ATOM  14682  CG  LYS I 179      92.692 154.964  79.217  1.00 24.41           C  
-ATOM  14683  CD  LYS I 179      93.951 155.848  79.101  1.00 28.78           C  
-ATOM  14684  CE  LYS I 179      93.777 157.187  79.855  1.00 30.70           C  
-ATOM  14685  NZ  LYS I 179      94.627 157.277  81.103  1.00 30.12           N  
-ATOM  14686  N   LYS I 180      89.215 154.267  78.188  1.00 17.21           N  
-ATOM  14687  CA  LYS I 180      88.146 155.144  77.769  1.00 14.96           C  
-ATOM  14688  C   LYS I 180      88.517 156.626  77.990  1.00 15.22           C  
-ATOM  14689  O   LYS I 180      89.115 156.976  78.998  1.00 13.60           O  
-ATOM  14690  CB  LYS I 180      86.862 154.809  78.510  1.00 14.76           C  
-ATOM  14691  CG  LYS I 180      85.738 155.775  78.166  1.00 10.32           C  
-ATOM  14692  CD  LYS I 180      84.373 155.197  78.420  1.00  7.10           C  
-ATOM  14693  CE  LYS I 180      83.309 156.215  78.004  1.00  4.02           C  
-ATOM  14694  NZ  LYS I 180      81.905 155.719  78.414  1.00  2.00           N  
-ATOM  14695  N   ASN I 181      88.197 157.504  77.043  1.00 14.79           N  
-ATOM  14696  CA  ASN I 181      88.421 158.931  77.321  1.00 14.59           C  
-ATOM  14697  C   ASN I 181      87.195 159.709  76.911  1.00 14.50           C  
-ATOM  14698  O   ASN I 181      86.481 159.275  76.037  1.00 14.78           O  
-ATOM  14699  CB  ASN I 181      89.618 159.492  76.545  1.00 14.90           C  
-ATOM  14700  CG  ASN I 181      90.881 158.685  76.730  1.00 14.16           C  
-ATOM  14701  OD1 ASN I 181      91.533 158.768  77.768  1.00 16.79           O  
-ATOM  14702  ND2 ASN I 181      91.267 157.950  75.706  1.00 10.37           N  
-ATOM  14703  N   SER I 182      86.980 160.878  77.516  1.00 13.93           N  
-ATOM  14704  CA  SER I 182      85.861 161.752  77.172  1.00 13.53           C  
-ATOM  14705  C   SER I 182      86.380 163.202  76.857  1.00 13.78           C  
-ATOM  14706  O   SER I 182      87.013 163.832  77.707  1.00 10.59           O  
-ATOM  14707  CB  SER I 182      84.851 161.724  78.330  1.00 13.03           C  
-ATOM  14708  OG  SER I 182      83.620 162.307  77.966  1.00 14.16           O  
-ATOM  14709  N   VAL I 183      86.118 163.687  75.634  1.00 13.83           N  
-ATOM  14710  CA  VAL I 183      86.756 164.906  75.099  1.00 14.48           C  
-ATOM  14711  C   VAL I 183      85.791 165.957  74.523  1.00 13.99           C  
-ATOM  14712  O   VAL I 183      84.856 165.645  73.797  1.00 12.92           O  
-ATOM  14713  CB  VAL I 183      87.818 164.568  73.985  1.00 15.92           C  
-ATOM  14714  CG1 VAL I 183      88.619 165.856  73.550  1.00 12.95           C  
-ATOM  14715  CG2 VAL I 183      88.783 163.395  74.443  1.00 15.10           C  
-ATOM  14716  N   THR I 184      86.052 167.215  74.851  1.00 14.51           N  
-ATOM  14717  CA  THR I 184      85.276 168.349  74.337  1.00 14.12           C  
-ATOM  14718  C   THR I 184      86.158 169.024  73.266  1.00 14.28           C  
-ATOM  14719  O   THR I 184      87.232 169.494  73.586  1.00 13.35           O  
-ATOM  14720  CB  THR I 184      84.988 169.243  75.553  1.00 15.30           C  
-ATOM  14721  OG1 THR I 184      84.157 168.506  76.460  1.00 13.92           O  
-ATOM  14722  CG2 THR I 184      84.225 170.583  75.221  1.00 12.89           C  
-ATOM  14723  N   TYR I 185      85.728 168.979  72.000  1.00 14.52           N  
-ATOM  14724  CA  TYR I 185      86.453 169.527  70.852  1.00 15.74           C  
-ATOM  14725  C   TYR I 185      85.990 170.959  70.560  1.00 16.51           C  
-ATOM  14726  O   TYR I 185      84.844 171.292  70.858  1.00 16.72           O  
-ATOM  14727  CB  TYR I 185      86.182 168.657  69.616  1.00 15.69           C  
-ATOM  14728  CG  TYR I 185      86.690 167.269  69.804  1.00 16.95           C  
-ATOM  14729  CD1 TYR I 185      87.987 166.956  69.475  1.00 18.61           C  
-ATOM  14730  CD2 TYR I 185      85.907 166.300  70.409  1.00 16.53           C  
-ATOM  14731  CE1 TYR I 185      88.484 165.717  69.675  1.00 18.92           C  
-ATOM  14732  CE2 TYR I 185      86.397 165.040  70.627  1.00 20.11           C  
-ATOM  14733  CZ  TYR I 185      87.698 164.760  70.257  1.00 20.41           C  
-ATOM  14734  OH  TYR I 185      88.230 163.525  70.461  1.00 22.49           O  
-ATOM  14735  N   SER I 186      86.850 171.774  69.948  1.00 17.05           N  
-ATOM  14736  CA  SER I 186      86.590 173.218  69.721  1.00 17.97           C  
-ATOM  14737  C   SER I 186      85.331 173.548  68.907  1.00 17.95           C  
-ATOM  14738  O   SER I 186      84.746 174.630  69.043  1.00 17.68           O  
-ATOM  14739  CB  SER I 186      87.778 173.850  69.028  1.00 17.73           C  
-ATOM  14740  OG  SER I 186      88.444 174.639  69.990  1.00 21.25           O  
-ATOM  14741  N   CYS I 187      84.949 172.579  68.083  1.00 17.68           N  
-ATOM  14742  CA  CYS I 187      83.832 172.639  67.172  1.00 18.84           C  
-ATOM  14743  C   CYS I 187      82.473 172.720  67.850  1.00 18.83           C  
-ATOM  14744  O   CYS I 187      81.515 173.209  67.259  1.00 19.53           O  
-ATOM  14745  CB  CYS I 187      83.835 171.349  66.314  1.00 19.20           C  
-ATOM  14746  SG  CYS I 187      83.341 169.858  67.257  1.00 19.74           S  
-ATOM  14747  N   CYS I 188      82.368 172.177  69.060  1.00 19.14           N  
-ATOM  14748  CA  CYS I 188      81.061 171.838  69.639  1.00 18.25           C  
-ATOM  14749  C   CYS I 188      81.132 171.901  71.168  1.00 17.38           C  
-ATOM  14750  O   CYS I 188      82.186 171.653  71.729  1.00 16.88           O  
-ATOM  14751  CB  CYS I 188      80.652 170.444  69.195  1.00 18.84           C  
-ATOM  14752  SG  CYS I 188      81.247 169.842  67.559  1.00 21.48           S  
-ATOM  14753  N   PRO I 189      80.035 172.263  71.844  1.00 16.37           N  
-ATOM  14754  CA  PRO I 189      80.029 172.320  73.310  1.00 15.62           C  
-ATOM  14755  C   PRO I 189      79.916 170.951  74.024  1.00 15.40           C  
-ATOM  14756  O   PRO I 189      80.182 170.929  75.225  1.00 15.67           O  
-ATOM  14757  CB  PRO I 189      78.809 173.188  73.603  1.00 15.47           C  
-ATOM  14758  CG  PRO I 189      77.885 172.823  72.506  1.00 14.46           C  
-ATOM  14759  CD  PRO I 189      78.732 172.684  71.289  1.00 15.69           C  
-ATOM  14760  N   GLU I 190      79.586 169.861  73.325  1.00 14.86           N  
-ATOM  14761  CA  GLU I 190      79.405 168.547  73.972  1.00 15.84           C  
-ATOM  14762  C   GLU I 190      80.690 167.732  74.071  1.00 15.12           C  
-ATOM  14763  O   GLU I 190      81.575 167.891  73.257  1.00 15.69           O  
-ATOM  14764  CB  GLU I 190      78.351 167.715  73.215  1.00 15.72           C  
-ATOM  14765  CG  GLU I 190      76.954 168.310  73.176  1.00 20.25           C  
-ATOM  14766  CD  GLU I 190      76.743 169.270  72.009  1.00 25.44           C  
-ATOM  14767  OE1 GLU I 190      77.561 169.261  71.036  1.00 26.63           O  
-ATOM  14768  OE2 GLU I 190      75.740 170.027  72.065  1.00 26.76           O  
-ATOM  14769  N   ALA I 191      80.756 166.821  75.037  1.00 16.38           N  
-ATOM  14770  CA  ALA I 191      81.848 165.840  75.158  1.00 16.05           C  
-ATOM  14771  C   ALA I 191      81.614 164.602  74.284  1.00 15.41           C  
-ATOM  14772  O   ALA I 191      80.497 164.102  74.184  1.00 14.49           O  
-ATOM  14773  CB  ALA I 191      82.066 165.423  76.624  1.00 15.90           C  
-ATOM  14774  N   TYR I 192      82.679 164.119  73.665  1.00 14.97           N  
-ATOM  14775  CA  TYR I 192      82.618 162.938  72.825  1.00 15.82           C  
-ATOM  14776  C   TYR I 192      83.513 161.876  73.405  1.00 16.33           C  
-ATOM  14777  O   TYR I 192      84.646 162.166  73.761  1.00 16.56           O  
-ATOM  14778  CB  TYR I 192      83.128 163.274  71.424  1.00 15.02           C  
-ATOM  14779  CG  TYR I 192      82.189 164.175  70.676  1.00 15.60           C  
-ATOM  14780  CD1 TYR I 192      82.240 165.547  70.854  1.00 15.45           C  
-ATOM  14781  CD2 TYR I 192      81.225 163.652  69.794  1.00 14.66           C  
-ATOM  14782  CE1 TYR I 192      81.390 166.368  70.209  1.00 16.19           C  
-ATOM  14783  CE2 TYR I 192      80.357 164.494  69.137  1.00 15.50           C  
-ATOM  14784  CZ  TYR I 192      80.455 165.849  69.343  1.00 15.86           C  
-ATOM  14785  OH  TYR I 192      79.591 166.676  68.673  1.00 17.30           O  
-ATOM  14786  N   GLU I 193      83.022 160.648  73.447  1.00 16.82           N  
-ATOM  14787  CA  GLU I 193      83.748 159.557  74.087  1.00 17.67           C  
-ATOM  14788  C   GLU I 193      84.637 158.831  73.084  1.00 18.23           C  
-ATOM  14789  O   GLU I 193      84.323 158.715  71.906  1.00 17.29           O  
-ATOM  14790  CB  GLU I 193      82.775 158.607  74.801  1.00 17.63           C  
-ATOM  14791  CG  GLU I 193      82.094 159.269  76.006  1.00 17.75           C  
-ATOM  14792  CD  GLU I 193      81.300 158.270  76.823  1.00 19.76           C  
-ATOM  14793  OE1 GLU I 193      81.357 157.080  76.441  1.00 20.26           O  
-ATOM  14794  OE2 GLU I 193      80.655 158.642  77.833  1.00 21.02           O  
-ATOM  14795  N   ASP I 194      85.783 158.370  73.551  1.00 18.98           N  
-ATOM  14796  CA  ASP I 194      86.621 157.533  72.704  1.00 20.04           C  
-ATOM  14797  C   ASP I 194      87.209 156.387  73.522  1.00 19.59           C  
-ATOM  14798  O   ASP I 194      87.219 156.442  74.731  1.00 19.12           O  
-ATOM  14799  CB  ASP I 194      87.715 158.352  72.004  1.00 20.60           C  
-ATOM  14800  CG  ASP I 194      88.748 158.939  72.976  1.00 24.68           C  
-ATOM  14801  OD1 ASP I 194      89.450 158.151  73.680  1.00 28.21           O  
-ATOM  14802  OD2 ASP I 194      88.942 160.176  73.130  1.00 29.00           O  
-ATOM  14803  N   VAL I 195      87.646 155.340  72.840  1.00 19.20           N  
-ATOM  14804  CA  VAL I 195      88.523 154.341  73.432  1.00 19.27           C  
-ATOM  14805  C   VAL I 195      89.883 154.435  72.799  1.00 18.79           C  
-ATOM  14806  O   VAL I 195      90.004 154.468  71.567  1.00 18.50           O  
-ATOM  14807  CB  VAL I 195      87.972 152.914  73.264  1.00 19.89           C  
-ATOM  14808  CG1 VAL I 195      89.003 151.881  73.730  1.00 20.44           C  
-ATOM  14809  CG2 VAL I 195      86.689 152.776  74.110  1.00 20.50           C  
-ATOM  14810  N   GLU I 196      90.908 154.527  73.631  1.00 18.49           N  
-ATOM  14811  CA  GLU I 196      92.277 154.524  73.154  1.00 18.85           C  
-ATOM  14812  C   GLU I 196      92.835 153.127  73.350  1.00 18.41           C  
-ATOM  14813  O   GLU I 196      92.888 152.604  74.467  1.00 18.10           O  
-ATOM  14814  CB  GLU I 196      93.145 155.560  73.889  1.00 19.13           C  
-ATOM  14815  CG  GLU I 196      93.105 156.952  73.250  1.00 23.14           C  
-ATOM  14816  CD  GLU I 196      93.805 158.042  74.054  1.00 27.82           C  
-ATOM  14817  OE1 GLU I 196      94.403 157.738  75.130  1.00 28.67           O  
-ATOM  14818  OE2 GLU I 196      93.743 159.219  73.600  1.00 28.56           O  
-ATOM  14819  N   VAL I 197      93.263 152.541  72.246  1.00 17.74           N  
-ATOM  14820  CA  VAL I 197      93.836 151.206  72.263  1.00 17.46           C  
-ATOM  14821  C   VAL I 197      95.344 151.291  72.079  1.00 16.96           C  
-ATOM  14822  O   VAL I 197      95.825 151.750  71.051  1.00 16.52           O  
-ATOM  14823  CB  VAL I 197      93.184 150.292  71.157  1.00 17.56           C  
-ATOM  14824  CG1 VAL I 197      93.833 148.915  71.154  1.00 17.09           C  
-ATOM  14825  CG2 VAL I 197      91.687 150.146  71.390  1.00 17.62           C  
-ATOM  14826  N   SER I 198      96.087 150.836  73.083  1.00 16.94           N  
-ATOM  14827  CA  SER I 198      97.552 150.936  73.067  1.00 17.12           C  
-ATOM  14828  C   SER I 198      98.154 149.604  72.698  1.00 17.04           C  
-ATOM  14829  O   SER I 198      98.080 148.624  73.472  1.00 16.74           O  
-ATOM  14830  CB  SER I 198      98.077 151.395  74.417  1.00 17.21           C  
-ATOM  14831  OG  SER I 198      97.585 152.692  74.679  1.00 19.37           O  
-ATOM  14832  N   LEU I 199      98.717 149.561  71.494  1.00 16.74           N  
-ATOM  14833  CA  LEU I 199      99.379 148.364  70.980  1.00 16.59           C  
-ATOM  14834  C   LEU I 199     100.882 148.454  71.287  1.00 16.34           C  
-ATOM  14835  O   LEU I 199     101.576 149.325  70.748  1.00 16.22           O  
-ATOM  14836  CB  LEU I 199      99.104 148.237  69.488  1.00 16.69           C  
-ATOM  14837  CG  LEU I 199      99.804 147.167  68.669  1.00 17.95           C  
-ATOM  14838  CD1 LEU I 199      99.383 145.782  69.119  1.00 18.16           C  
-ATOM  14839  CD2 LEU I 199      99.516 147.385  67.202  1.00 18.47           C  
-ATOM  14840  N   ASN I 200     101.357 147.594  72.192  1.00 15.51           N  
-ATOM  14841  CA  ASN I 200     102.778 147.479  72.490  1.00 15.36           C  
-ATOM  14842  C   ASN I 200     103.361 146.288  71.699  1.00 14.82           C  
-ATOM  14843  O   ASN I 200     102.963 145.130  71.890  1.00 14.41           O  
-ATOM  14844  CB  ASN I 200     102.981 147.331  74.002  1.00 15.46           C  
-ATOM  14845  CG  ASN I 200     104.450 147.266  74.420  1.00 16.79           C  
-ATOM  14846  OD1 ASN I 200     104.770 146.602  75.400  1.00 17.51           O  
-ATOM  14847  ND2 ASN I 200     105.338 147.967  73.705  1.00 17.73           N  
-ATOM  14848  N   PHE I 201     104.270 146.583  70.779  1.00 13.94           N  
-ATOM  14849  CA  PHE I 201     104.747 145.587  69.828  1.00 13.47           C  
-ATOM  14850  C   PHE I 201     106.206 145.856  69.484  1.00 12.80           C  
-ATOM  14851  O   PHE I 201     106.690 146.983  69.688  1.00 12.93           O  
-ATOM  14852  CB  PHE I 201     103.858 145.598  68.580  1.00 13.73           C  
-ATOM  14853  CG  PHE I 201     104.092 146.765  67.675  1.00 14.84           C  
-ATOM  14854  CD1 PHE I 201     103.582 148.021  67.993  1.00 14.99           C  
-ATOM  14855  CD2 PHE I 201     104.817 146.608  66.494  1.00 15.58           C  
-ATOM  14856  CE1 PHE I 201     103.785 149.132  67.157  1.00 15.74           C  
-ATOM  14857  CE2 PHE I 201     105.034 147.712  65.643  1.00 16.30           C  
-ATOM  14858  CZ  PHE I 201     104.517 148.990  65.985  1.00 16.14           C  
-ATOM  14859  N   ARG I 202     106.918 144.828  69.024  1.00 11.62           N  
-ATOM  14860  CA  ARG I 202     108.330 144.925  68.628  1.00 10.79           C  
-ATOM  14861  C   ARG I 202     108.663 144.031  67.431  1.00 10.70           C  
-ATOM  14862  O   ARG I 202     107.910 143.092  67.119  1.00 10.18           O  
-ATOM  14863  CB  ARG I 202     109.247 144.601  69.804  1.00 11.05           C  
-ATOM  14864  CG  ARG I 202     109.597 143.122  69.970  1.00 12.58           C  
-ATOM  14865  CD  ARG I 202     110.480 142.768  71.191  1.00 16.48           C  
-ATOM  14866  NE  ARG I 202     110.105 141.446  71.686  1.00 17.80           N  
-ATOM  14867  CZ  ARG I 202     110.521 140.878  72.814  1.00 19.07           C  
-ATOM  14868  NH1 ARG I 202     111.380 141.495  73.619  1.00 19.54           N  
-ATOM  14869  NH2 ARG I 202     110.071 139.662  73.126  1.00 19.11           N  
-ATOM  14870  N   LYS I 203     109.770 144.323  66.756  1.00 10.70           N  
-ATOM  14871  CA  LYS I 203     110.248 143.451  65.682  1.00 12.08           C  
-ATOM  14872  C   LYS I 203     110.783 142.154  66.298  1.00 12.56           C  
-ATOM  14873  O   LYS I 203     111.507 142.198  67.280  1.00 11.79           O  
-ATOM  14874  CB  LYS I 203     111.350 144.149  64.882  1.00 12.29           C  
-ATOM  14875  CG  LYS I 203     111.442 143.781  63.407  1.00 13.52           C  
-ATOM  14876  CD  LYS I 203     112.823 144.208  62.826  1.00 17.00           C  
-ATOM  14877  CE  LYS I 203     113.634 143.021  62.279  1.00 18.20           C  
-ATOM  14878  NZ  LYS I 203     115.143 143.254  62.309  1.00 17.88           N  
-ATOM  14879  N   LYS I 204     110.409 141.007  65.734  1.00 14.18           N  
-ATOM  14880  CA  LYS I 204     110.847 139.700  66.261  1.00 15.71           C  
-ATOM  14881  C   LYS I 204     112.342 139.535  66.176  1.00 16.77           C  
-ATOM  14882  O   LYS I 204     112.975 140.132  65.300  1.00 17.89           O  
-ATOM  14883  CB  LYS I 204     110.222 138.556  65.470  1.00 15.96           C  
-ATOM  14884  CG  LYS I 204     108.725 138.361  65.665  1.00 16.13           C  
-ATOM  14885  CD  LYS I 204     108.397 136.882  65.485  1.00 17.21           C  
-ATOM  14886  CE  LYS I 204     107.009 136.678  64.959  1.00 15.44           C  
-ATOM  14887  NZ  LYS I 204     106.986 135.723  63.797  1.00 18.91           N  
-ATOM  14888  N   GLY I 205     112.906 138.725  67.081  1.00 17.64           N  
-ATOM  14889  CA  GLY I 205     114.271 138.241  66.962  1.00 17.90           C  
-ATOM  14890  C   GLY I 205     115.297 139.320  67.231  1.00 18.74           C  
-ATOM  14891  O   GLY I 205     115.405 140.275  66.465  1.00 19.01           O  
-TER   14892      GLY I 205                                                      
-ATOM  14893  N   GLU J   0      55.797 167.218  69.749  1.00 24.65           N  
-ATOM  14894  CA  GLU J   0      56.575 166.074  70.295  1.00 24.78           C  
-ATOM  14895  C   GLU J   0      57.037 165.125  69.196  1.00 23.88           C  
-ATOM  14896  O   GLU J   0      56.249 164.318  68.730  1.00 24.35           O  
-ATOM  14897  CB  GLU J   0      55.705 165.335  71.305  1.00 25.59           C  
-ATOM  14898  CG  GLU J   0      56.337 164.085  71.905  1.00 28.61           C  
-ATOM  14899  CD  GLU J   0      56.795 164.307  73.328  1.00 32.01           C  
-ATOM  14900  OE1 GLU J   0      55.924 164.543  74.197  1.00 33.37           O  
-ATOM  14901  OE2 GLU J   0      58.022 164.263  73.574  1.00 32.88           O  
-ATOM  14902  N   PHE J   1      58.298 165.231  68.769  1.00 22.89           N  
-ATOM  14903  CA  PHE J   1      58.879 164.313  67.789  1.00 22.48           C  
-ATOM  14904  C   PHE J   1      59.987 163.530  68.444  1.00 21.87           C  
-ATOM  14905  O   PHE J   1      60.694 164.061  69.298  1.00 21.78           O  
-ATOM  14906  CB  PHE J   1      59.496 165.070  66.610  1.00 22.62           C  
-ATOM  14907  CG  PHE J   1      58.610 166.113  66.022  1.00 24.55           C  
-ATOM  14908  CD1 PHE J   1      57.528 165.753  65.210  1.00 26.20           C  
-ATOM  14909  CD2 PHE J   1      58.859 167.460  66.262  1.00 25.79           C  
-ATOM  14910  CE1 PHE J   1      56.700 166.723  64.651  1.00 27.98           C  
-ATOM  14911  CE2 PHE J   1      58.033 168.456  65.707  1.00 26.83           C  
-ATOM  14912  CZ  PHE J   1      56.948 168.087  64.899  1.00 28.20           C  
-ATOM  14913  N   ASP J   2      60.176 162.281  68.026  1.00 20.99           N  
-ATOM  14914  CA  ASP J   2      61.373 161.556  68.435  1.00 20.24           C  
-ATOM  14915  C   ASP J   2      62.376 161.591  67.309  1.00 19.34           C  
-ATOM  14916  O   ASP J   2      62.080 162.100  66.240  1.00 18.95           O  
-ATOM  14917  CB  ASP J   2      61.051 160.116  68.905  1.00 20.92           C  
-ATOM  14918  CG  ASP J   2      60.467 159.225  67.794  1.00 21.96           C  
-ATOM  14919  OD1 ASP J   2      60.531 159.578  66.588  1.00 22.60           O  
-ATOM  14920  OD2 ASP J   2      59.917 158.134  68.063  1.00 23.99           O  
-ATOM  14921  N   ARG J   3      63.574 161.073  67.548  1.00 18.60           N  
-ATOM  14922  CA  ARG J   3      64.595 161.094  66.517  1.00 17.87           C  
-ATOM  14923  C   ARG J   3      64.096 160.513  65.197  1.00 17.13           C  
-ATOM  14924  O   ARG J   3      64.346 161.082  64.146  1.00 16.97           O  
-ATOM  14925  CB  ARG J   3      65.846 160.372  66.993  1.00 18.10           C  
-ATOM  14926  CG  ARG J   3      66.768 161.258  67.773  1.00 18.85           C  
-ATOM  14927  CD  ARG J   3      67.777 160.531  68.615  1.00 19.28           C  
-ATOM  14928  NE  ARG J   3      68.570 161.499  69.352  1.00 22.21           N  
-ATOM  14929  CZ  ARG J   3      68.373 161.834  70.630  1.00 25.75           C  
-ATOM  14930  NH1 ARG J   3      67.404 161.259  71.360  1.00 27.13           N  
-ATOM  14931  NH2 ARG J   3      69.165 162.746  71.183  1.00 26.08           N  
-ATOM  14932  N   ALA J   4      63.395 159.375  65.266  1.00 16.29           N  
-ATOM  14933  CA  ALA J   4      62.883 158.692  64.082  1.00 15.95           C  
-ATOM  14934  C   ALA J   4      62.003 159.616  63.230  1.00 15.68           C  
-ATOM  14935  O   ALA J   4      62.141 159.658  62.016  1.00 15.04           O  
-ATOM  14936  CB  ALA J   4      62.107 157.421  64.481  1.00 15.42           C  
-ATOM  14937  N   ASP J   5      61.112 160.337  63.895  1.00 15.58           N  
-ATOM  14938  CA  ASP J   5      60.244 161.310  63.253  1.00 16.68           C  
-ATOM  14939  C   ASP J   5      61.021 162.438  62.588  1.00 15.80           C  
-ATOM  14940  O   ASP J   5      60.748 162.774  61.446  1.00 15.84           O  
-ATOM  14941  CB  ASP J   5      59.286 161.922  64.269  1.00 17.15           C  
-ATOM  14942  CG  ASP J   5      58.260 160.939  64.777  1.00 21.02           C  
-ATOM  14943  OD1 ASP J   5      57.963 159.927  64.073  1.00 24.56           O  
-ATOM  14944  OD2 ASP J   5      57.662 161.118  65.878  1.00 25.27           O  
-ATOM  14945  N   ILE J   6      61.976 163.021  63.315  1.00 15.30           N  
-ATOM  14946  CA  ILE J   6      62.786 164.117  62.792  1.00 14.83           C  
-ATOM  14947  C   ILE J   6      63.503 163.671  61.531  1.00 14.82           C  
-ATOM  14948  O   ILE J   6      63.460 164.361  60.496  1.00 13.68           O  
-ATOM  14949  CB  ILE J   6      63.789 164.649  63.854  1.00 14.79           C  
-ATOM  14950  CG1 ILE J   6      63.037 165.287  65.026  1.00 14.19           C  
-ATOM  14951  CG2 ILE J   6      64.724 165.767  63.252  1.00 13.72           C  
-ATOM  14952  CD1 ILE J   6      63.859 165.366  66.342  1.00 13.07           C  
-ATOM  14953  N   LEU J   7      64.110 162.494  61.615  1.00 14.86           N  
-ATOM  14954  CA  LEU J   7      64.908 161.976  60.507  1.00 15.84           C  
-ATOM  14955  C   LEU J   7      64.060 161.570  59.304  1.00 15.37           C  
-ATOM  14956  O   LEU J   7      64.433 161.850  58.189  1.00 14.98           O  
-ATOM  14957  CB  LEU J   7      65.835 160.847  60.973  1.00 16.06           C  
-ATOM  14958  CG  LEU J   7      67.006 161.374  61.810  1.00 17.61           C  
-ATOM  14959  CD1 LEU J   7      67.522 160.265  62.765  1.00 18.93           C  
-ATOM  14960  CD2 LEU J   7      68.131 161.887  60.913  1.00 19.21           C  
-ATOM  14961  N   TYR J   8      62.919 160.942  59.556  1.00 15.75           N  
-ATOM  14962  CA  TYR J   8      61.904 160.697  58.531  1.00 16.74           C  
-ATOM  14963  C   TYR J   8      61.445 161.965  57.799  1.00 16.39           C  
-ATOM  14964  O   TYR J   8      61.440 162.008  56.555  1.00 15.78           O  
-ATOM  14965  CB  TYR J   8      60.686 160.004  59.149  1.00 17.43           C  
-ATOM  14966  CG  TYR J   8      59.575 159.657  58.174  1.00 20.89           C  
-ATOM  14967  CD1 TYR J   8      59.737 158.654  57.207  1.00 24.43           C  
-ATOM  14968  CD2 TYR J   8      58.361 160.319  58.222  1.00 23.09           C  
-ATOM  14969  CE1 TYR J   8      58.698 158.322  56.329  1.00 26.05           C  
-ATOM  14970  CE2 TYR J   8      57.332 159.996  57.359  1.00 25.48           C  
-ATOM  14971  CZ  TYR J   8      57.504 159.002  56.416  1.00 26.80           C  
-ATOM  14972  OH  TYR J   8      56.468 158.690  55.564  1.00 28.51           O  
-ATOM  14973  N   ASN J   9      61.055 162.987  58.566  1.00 16.14           N  
-ATOM  14974  CA  ASN J   9      60.642 164.267  57.970  1.00 16.77           C  
-ATOM  14975  C   ASN J   9      61.744 164.919  57.151  1.00 16.15           C  
-ATOM  14976  O   ASN J   9      61.491 165.364  56.068  1.00 15.77           O  
-ATOM  14977  CB  ASN J   9      60.085 165.232  59.018  1.00 16.39           C  
-ATOM  14978  CG  ASN J   9      58.798 164.708  59.635  1.00 18.65           C  
-ATOM  14979  OD1 ASN J   9      58.121 163.821  59.054  1.00 19.96           O  
-ATOM  14980  ND2 ASN J   9      58.445 165.220  60.807  1.00 17.83           N  
-ATOM  14981  N   ILE J  10      62.971 164.927  57.670  1.00 16.62           N  
-ATOM  14982  CA  ILE J  10      64.133 165.396  56.896  1.00 16.50           C  
-ATOM  14983  C   ILE J  10      64.326 164.628  55.590  1.00 17.26           C  
-ATOM  14984  O   ILE J  10      64.456 165.240  54.545  1.00 16.40           O  
-ATOM  14985  CB  ILE J  10      65.415 165.379  57.740  1.00 16.44           C  
-ATOM  14986  CG1 ILE J  10      65.370 166.533  58.749  1.00 15.34           C  
-ATOM  14987  CG2 ILE J  10      66.683 165.535  56.851  1.00 15.96           C  
-ATOM  14988  CD1 ILE J  10      66.458 166.480  59.795  1.00 13.55           C  
-ATOM  14989  N   ARG J  11      64.298 163.301  55.644  1.00 18.19           N  
-ATOM  14990  CA  ARG J  11      64.560 162.521  54.438  1.00 19.45           C  
-ATOM  14991  C   ARG J  11      63.385 162.559  53.457  1.00 19.47           C  
-ATOM  14992  O   ARG J  11      63.591 162.443  52.250  1.00 18.21           O  
-ATOM  14993  CB  ARG J  11      64.941 161.102  54.804  1.00 20.23           C  
-ATOM  14994  CG  ARG J  11      64.722 160.107  53.691  1.00 26.68           C  
-ATOM  14995  CD  ARG J  11      65.329 158.754  53.930  1.00 34.97           C  
-ATOM  14996  NE  ARG J  11      66.390 158.501  52.943  1.00 43.38           N  
-ATOM  14997  CZ  ARG J  11      66.265 157.728  51.853  1.00 45.78           C  
-ATOM  14998  NH1 ARG J  11      65.114 157.105  51.572  1.00 46.84           N  
-ATOM  14999  NH2 ARG J  11      67.305 157.584  51.039  1.00 46.02           N  
-ATOM  15000  N   GLN J  12      62.160 162.754  53.954  1.00 19.03           N  
-ATOM  15001  CA  GLN J  12      61.027 162.855  53.032  1.00 20.14           C  
-ATOM  15002  C   GLN J  12      61.008 164.190  52.266  1.00 21.29           C  
-ATOM  15003  O   GLN J  12      60.681 164.228  51.083  1.00 22.14           O  
-ATOM  15004  CB  GLN J  12      59.705 162.600  53.769  1.00 20.00           C  
-ATOM  15005  CG  GLN J  12      59.442 161.109  54.049  1.00 22.06           C  
-ATOM  15006  CD  GLN J  12      59.955 160.224  52.918  1.00 25.98           C  
-ATOM  15007  OE1 GLN J  12      59.404 160.228  51.812  1.00 26.78           O  
-ATOM  15008  NE2 GLN J  12      61.035 159.497  53.180  1.00 30.00           N  
-ATOM  15009  N   THR J  13      61.386 165.267  52.943  1.00 21.52           N  
-ATOM  15010  CA  THR J  13      61.296 166.608  52.388  1.00 22.66           C  
-ATOM  15011  C   THR J  13      62.664 167.218  52.118  1.00 24.76           C  
-ATOM  15012  O   THR J  13      62.766 168.446  51.967  1.00 25.43           O  
-ATOM  15013  CB  THR J  13      60.530 167.544  53.361  1.00 22.64           C  
-ATOM  15014  OG1 THR J  13      61.236 167.633  54.601  1.00 18.08           O  
-ATOM  15015  CG2 THR J  13      59.182 166.925  53.753  1.00 21.51           C  
-ATOM  15016  N   SER J  14      63.698 166.359  52.077  1.00 25.92           N  
-ATOM  15017  CA  SER J  14      65.081 166.760  51.793  1.00 26.80           C  
-ATOM  15018  C   SER J  14      65.223 167.104  50.327  1.00 27.17           C  
-ATOM  15019  O   SER J  14      65.053 166.233  49.451  1.00 27.57           O  
-ATOM  15020  CB  SER J  14      66.077 165.620  52.114  1.00 27.57           C  
-ATOM  15021  OG  SER J  14      65.943 164.496  51.217  1.00 26.55           O  
-ATOM  15022  N   ARG J  15      65.513 168.374  50.054  1.00 25.93           N  
-ATOM  15023  CA  ARG J  15      65.838 168.756  48.703  1.00 24.53           C  
-ATOM  15024  C   ARG J  15      67.374 168.896  48.595  1.00 22.79           C  
-ATOM  15025  O   ARG J  15      67.893 169.988  48.537  1.00 21.88           O  
-ATOM  15026  CB  ARG J  15      65.081 170.028  48.323  1.00 25.12           C  
-ATOM  15027  CG  ARG J  15      63.562 169.850  48.178  1.00 26.40           C  
-ATOM  15028  CD  ARG J  15      63.123 168.862  47.058  1.00 27.43           C  
-ATOM  15029  NE  ARG J  15      63.514 169.282  45.695  1.00 27.13           N  
-ATOM  15030  CZ  ARG J  15      62.957 170.292  45.015  1.00 25.37           C  
-ATOM  15031  NH1 ARG J  15      61.990 171.014  45.561  1.00 24.16           N  
-ATOM  15032  NH2 ARG J  15      63.365 170.579  43.781  1.00 22.91           N  
-ATOM  15033  N   PRO J  16      68.089 167.772  48.551  1.00 22.16           N  
-ATOM  15034  CA  PRO J  16      69.566 167.792  48.542  1.00 21.25           C  
-ATOM  15035  C   PRO J  16      70.174 168.655  47.405  1.00 20.57           C  
-ATOM  15036  O   PRO J  16      71.322 169.117  47.513  1.00 20.73           O  
-ATOM  15037  CB  PRO J  16      69.970 166.318  48.352  1.00 21.26           C  
-ATOM  15038  CG  PRO J  16      68.743 165.499  48.435  1.00 22.07           C  
-ATOM  15039  CD  PRO J  16      67.538 166.414  48.465  1.00 21.62           C  
-ATOM  15040  N   ASP J  17      69.415 168.873  46.345  1.00 20.04           N  
-ATOM  15041  CA  ASP J  17      69.937 169.604  45.190  1.00 20.61           C  
-ATOM  15042  C   ASP J  17      69.568 171.063  45.205  1.00 18.73           C  
-ATOM  15043  O   ASP J  17      69.865 171.784  44.283  1.00 18.58           O  
-ATOM  15044  CB  ASP J  17      69.441 168.960  43.890  1.00 21.44           C  
-ATOM  15045  CG  ASP J  17      69.887 167.520  43.759  1.00 26.68           C  
-ATOM  15046  OD1 ASP J  17      71.007 167.181  44.285  1.00 30.70           O  
-ATOM  15047  OD2 ASP J  17      69.179 166.658  43.154  1.00 32.00           O  
-ATOM  15048  N   VAL J  18      68.896 171.504  46.245  1.00 17.67           N  
-ATOM  15049  CA  VAL J  18      68.395 172.869  46.227  1.00 17.32           C  
-ATOM  15050  C   VAL J  18      69.154 173.697  47.255  1.00 17.33           C  
-ATOM  15051  O   VAL J  18      69.034 173.482  48.455  1.00 16.96           O  
-ATOM  15052  CB  VAL J  18      66.886 172.918  46.480  1.00 17.40           C  
-ATOM  15053  CG1 VAL J  18      66.408 174.379  46.656  1.00 17.34           C  
-ATOM  15054  CG2 VAL J  18      66.117 172.216  45.365  1.00 15.75           C  
-ATOM  15055  N   ILE J  19      69.976 174.601  46.776  1.00 17.35           N  
-ATOM  15056  CA  ILE J  19      70.653 175.570  47.650  1.00 18.27           C  
-ATOM  15057  C   ILE J  19      69.628 176.339  48.540  1.00 18.86           C  
-ATOM  15058  O   ILE J  19      68.689 176.913  48.029  1.00 18.69           O  
-ATOM  15059  CB  ILE J  19      71.560 176.498  46.820  1.00 17.58           C  
-ATOM  15060  CG1 ILE J  19      72.401 177.415  47.735  1.00 17.51           C  
-ATOM  15061  CG2 ILE J  19      70.758 177.315  45.807  1.00 16.78           C  
-ATOM  15062  CD1 ILE J  19      73.383 178.290  46.986  1.00 15.87           C  
-ATOM  15063  N   PRO J  20      69.780 176.275  49.858  1.00 19.82           N  
-ATOM  15064  CA  PRO J  20      68.791 176.838  50.790  1.00 21.40           C  
-ATOM  15065  C   PRO J  20      68.914 178.368  50.874  1.00 22.76           C  
-ATOM  15066  O   PRO J  20      69.157 178.943  51.922  1.00 22.81           O  
-ATOM  15067  CB  PRO J  20      69.179 176.208  52.123  1.00 20.78           C  
-ATOM  15068  CG  PRO J  20      70.641 176.060  52.043  1.00 20.40           C  
-ATOM  15069  CD  PRO J  20      70.895 175.654  50.584  1.00 20.40           C  
-ATOM  15070  N   THR J  21      68.767 178.997  49.725  1.00 24.82           N  
-ATOM  15071  CA  THR J  21      68.842 180.443  49.601  1.00 27.33           C  
-ATOM  15072  C   THR J  21      67.584 180.999  50.229  1.00 28.70           C  
-ATOM  15073  O   THR J  21      66.499 180.475  50.018  1.00 29.05           O  
-ATOM  15074  CB  THR J  21      68.956 180.781  48.098  1.00 27.05           C  
-ATOM  15075  OG1 THR J  21      70.257 181.328  47.825  1.00 28.16           O  
-ATOM  15076  CG2 THR J  21      67.993 181.840  47.685  1.00 28.93           C  
-ATOM  15077  N   GLN J  22      67.719 182.020  51.060  1.00 30.22           N  
-ATOM  15078  CA  GLN J  22      66.518 182.696  51.536  1.00 31.88           C  
-ATOM  15079  C   GLN J  22      66.393 184.044  50.849  1.00 32.18           C  
-ATOM  15080  O   GLN J  22      67.348 184.788  50.799  1.00 31.83           O  
-ATOM  15081  CB  GLN J  22      66.535 182.880  53.041  1.00 32.06           C  
-ATOM  15082  CG  GLN J  22      65.812 181.797  53.790  1.00 34.59           C  
-ATOM  15083  CD  GLN J  22      66.181 181.795  55.254  1.00 37.13           C  
-ATOM  15084  OE1 GLN J  22      65.303 181.892  56.121  1.00 38.86           O  
-ATOM  15085  NE2 GLN J  22      67.489 181.711  55.540  1.00 37.91           N  
-ATOM  15086  N   ARG J  23      65.219 184.338  50.306  1.00 33.09           N  
-ATOM  15087  CA  ARG J  23      64.997 185.597  49.597  1.00 34.41           C  
-ATOM  15088  C   ARG J  23      66.298 186.226  49.023  1.00 34.44           C  
-ATOM  15089  O   ARG J  23      66.718 187.332  49.409  1.00 34.24           O  
-ATOM  15090  CB  ARG J  23      64.207 186.575  50.477  1.00 34.52           C  
-ATOM  15091  CG  ARG J  23      62.705 186.476  50.248  1.00 37.51           C  
-ATOM  15092  CD  ARG J  23      62.220 187.223  48.981  1.00 42.57           C  
-ATOM  15093  NE  ARG J  23      61.045 186.593  48.363  1.00 44.53           N  
-ATOM  15094  CZ  ARG J  23      60.957 186.206  47.092  1.00 45.10           C  
-ATOM  15095  NH1 ARG J  23      61.989 186.362  46.261  1.00 45.21           N  
-ATOM  15096  NH2 ARG J  23      59.825 185.653  46.655  1.00 44.54           N  
-ATOM  15097  N   ASP J  24      66.941 185.484  48.116  1.00 34.03           N  
-ATOM  15098  CA  ASP J  24      68.093 185.997  47.356  1.00 33.85           C  
-ATOM  15099  C   ASP J  24      69.227 186.674  48.174  1.00 32.27           C  
-ATOM  15100  O   ASP J  24      69.886 187.615  47.711  1.00 32.84           O  
-ATOM  15101  CB  ASP J  24      67.611 186.878  46.188  1.00 34.80           C  
-ATOM  15102  CG  ASP J  24      67.486 186.091  44.871  1.00 37.44           C  
-ATOM  15103  OD1 ASP J  24      67.090 184.891  44.916  1.00 38.25           O  
-ATOM  15104  OD2 ASP J  24      67.767 186.596  43.751  1.00 39.36           O  
-ATOM  15105  N   ARG J  25      69.436 186.187  49.394  1.00 29.90           N  
-ATOM  15106  CA  ARG J  25      70.680 186.426  50.103  1.00 27.19           C  
-ATOM  15107  C   ARG J  25      71.531 185.167  49.963  1.00 24.83           C  
-ATOM  15108  O   ARG J  25      71.002 184.051  49.992  1.00 23.47           O  
-ATOM  15109  CB  ARG J  25      70.465 186.778  51.575  1.00 27.94           C  
-ATOM  15110  CG  ARG J  25      69.419 185.975  52.372  1.00 28.58           C  
-ATOM  15111  CD  ARG J  25      68.317 186.884  53.016  1.00 33.52           C  
-ATOM  15112  NE  ARG J  25      67.400 186.150  53.892  1.00 34.30           N  
-ATOM  15113  CZ  ARG J  25      66.406 186.685  54.593  1.00 34.95           C  
-ATOM  15114  NH1 ARG J  25      66.162 188.006  54.560  1.00 35.89           N  
-ATOM  15115  NH2 ARG J  25      65.641 185.882  55.329  1.00 34.52           N  
-ATOM  15116  N   PRO J  26      72.837 185.347  49.777  1.00 22.68           N  
-ATOM  15117  CA  PRO J  26      73.727 184.201  49.626  1.00 21.02           C  
-ATOM  15118  C   PRO J  26      73.695 183.349  50.887  1.00 19.97           C  
-ATOM  15119  O   PRO J  26      73.526 183.875  51.988  1.00 19.30           O  
-ATOM  15120  CB  PRO J  26      75.107 184.830  49.439  1.00 21.08           C  
-ATOM  15121  CG  PRO J  26      74.959 186.268  49.975  1.00 21.51           C  
-ATOM  15122  CD  PRO J  26      73.558 186.638  49.680  1.00 22.22           C  
-ATOM  15123  N   VAL J  27      73.841 182.048  50.720  1.00 18.01           N  
-ATOM  15124  CA  VAL J  27      74.012 181.149  51.859  1.00 17.81           C  
-ATOM  15125  C   VAL J  27      75.383 181.385  52.450  1.00 17.21           C  
-ATOM  15126  O   VAL J  27      76.379 181.235  51.747  1.00 17.14           O  
-ATOM  15127  CB  VAL J  27      73.949 179.680  51.410  1.00 17.45           C  
-ATOM  15128  CG1 VAL J  27      74.243 178.740  52.579  1.00 17.84           C  
-ATOM  15129  CG2 VAL J  27      72.594 179.386  50.809  1.00 17.86           C  
-ATOM  15130  N   ALA J  28      75.446 181.736  53.728  1.00 16.24           N  
-ATOM  15131  CA  ALA J  28      76.723 182.020  54.356  1.00 15.98           C  
-ATOM  15132  C   ALA J  28      77.352 180.720  54.839  1.00 16.25           C  
-ATOM  15133  O   ALA J  28      76.834 180.009  55.744  1.00 15.54           O  
-ATOM  15134  CB  ALA J  28      76.574 183.049  55.523  1.00 15.72           C  
-ATOM  15135  N   VAL J  29      78.474 180.396  54.245  1.00 15.35           N  
-ATOM  15136  CA  VAL J  29      79.153 179.171  54.621  1.00 16.52           C  
-ATOM  15137  C   VAL J  29      80.461 179.528  55.339  1.00 17.37           C  
-ATOM  15138  O   VAL J  29      81.271 180.317  54.826  1.00 17.03           O  
-ATOM  15139  CB  VAL J  29      79.463 178.290  53.342  1.00 16.11           C  
-ATOM  15140  CG1 VAL J  29      80.252 177.097  53.688  1.00 15.25           C  
-ATOM  15141  CG2 VAL J  29      78.172 177.947  52.566  1.00 15.17           C  
-ATOM  15142  N   SER J  30      80.667 178.954  56.516  1.00 17.76           N  
-ATOM  15143  CA  SER J  30      81.934 179.082  57.207  1.00 18.82           C  
-ATOM  15144  C   SER J  30      82.752 177.829  56.975  1.00 19.60           C  
-ATOM  15145  O   SER J  30      82.208 176.691  57.038  1.00 19.87           O  
-ATOM  15146  CB  SER J  30      81.725 179.307  58.699  1.00 18.82           C  
-ATOM  15147  OG  SER J  30      80.915 180.446  58.928  1.00 21.11           O  
-ATOM  15148  N   VAL J  31      84.032 178.034  56.694  1.00 19.69           N  
-ATOM  15149  CA  VAL J  31      84.973 176.948  56.513  1.00 21.16           C  
-ATOM  15150  C   VAL J  31      86.224 177.194  57.283  1.00 21.20           C  
-ATOM  15151  O   VAL J  31      86.723 178.309  57.322  1.00 21.38           O  
-ATOM  15152  CB  VAL J  31      85.460 176.751  55.057  1.00 21.46           C  
-ATOM  15153  CG1 VAL J  31      85.789 175.255  54.832  1.00 21.43           C  
-ATOM  15154  CG2 VAL J  31      84.444 177.199  54.066  1.00 22.40           C  
-ATOM  15155  N   SER J  32      86.751 176.123  57.846  1.00 21.38           N  
-ATOM  15156  CA  SER J  32      87.938 176.181  58.654  1.00 22.68           C  
-ATOM  15157  C   SER J  32      88.574 174.799  58.552  1.00 22.60           C  
-ATOM  15158  O   SER J  32      87.875 173.781  58.615  1.00 22.58           O  
-ATOM  15159  CB  SER J  32      87.529 176.483  60.086  1.00 22.93           C  
-ATOM  15160  OG  SER J  32      88.571 176.276  60.982  1.00 27.62           O  
-ATOM  15161  N   LEU J  33      89.894 174.764  58.386  1.00 22.38           N  
-ATOM  15162  CA  LEU J  33      90.625 173.506  58.259  1.00 21.76           C  
-ATOM  15163  C   LEU J  33      91.363 173.262  59.534  1.00 21.62           C  
-ATOM  15164  O   LEU J  33      92.085 174.127  60.010  1.00 22.29           O  
-ATOM  15165  CB  LEU J  33      91.604 173.560  57.081  1.00 21.53           C  
-ATOM  15166  CG  LEU J  33      91.068 173.891  55.669  1.00 21.41           C  
-ATOM  15167  CD1 LEU J  33      92.129 173.582  54.622  1.00 19.51           C  
-ATOM  15168  CD2 LEU J  33      89.769 173.113  55.346  1.00 20.76           C  
-ATOM  15169  N   LYS J  34      91.162 172.114  60.143  1.00 21.05           N  
-ATOM  15170  CA  LYS J  34      91.941 171.806  61.343  1.00 20.50           C  
-ATOM  15171  C   LYS J  34      92.917 170.756  60.909  1.00 19.82           C  
-ATOM  15172  O   LYS J  34      92.513 169.620  60.549  1.00 19.46           O  
-ATOM  15173  CB  LYS J  34      91.070 171.283  62.490  1.00 21.05           C  
-ATOM  15174  CG  LYS J  34      89.776 172.036  62.672  1.00 23.61           C  
-ATOM  15175  CD  LYS J  34      90.001 173.291  63.493  1.00 27.21           C  
-ATOM  15176  CE  LYS J  34      88.779 174.186  63.382  1.00 30.36           C  
-ATOM  15177  NZ  LYS J  34      88.996 175.547  63.989  1.00 33.61           N  
-ATOM  15178  N   PHE J  35      94.193 171.131  60.909  1.00 18.23           N  
-ATOM  15179  CA  PHE J  35      95.220 170.236  60.421  1.00 17.57           C  
-ATOM  15180  C   PHE J  35      95.552 169.140  61.417  1.00 17.15           C  
-ATOM  15181  O   PHE J  35      95.760 169.410  62.599  1.00 16.82           O  
-ATOM  15182  CB  PHE J  35      96.436 171.004  59.959  1.00 17.11           C  
-ATOM  15183  CG  PHE J  35      96.167 171.853  58.745  1.00 17.66           C  
-ATOM  15184  CD1 PHE J  35      96.214 171.296  57.468  1.00 17.89           C  
-ATOM  15185  CD2 PHE J  35      95.849 173.218  58.880  1.00 18.33           C  
-ATOM  15186  CE1 PHE J  35      95.968 172.084  56.334  1.00 19.07           C  
-ATOM  15187  CE2 PHE J  35      95.586 174.014  57.747  1.00 17.94           C  
-ATOM  15188  CZ  PHE J  35      95.652 173.447  56.477  1.00 18.10           C  
-ATOM  15189  N   ILE J  36      95.543 167.893  60.939  1.00 16.44           N  
-ATOM  15190  CA  ILE J  36      95.780 166.745  61.819  1.00 16.06           C  
-ATOM  15191  C   ILE J  36      97.143 166.131  61.566  1.00 16.52           C  
-ATOM  15192  O   ILE J  36      97.825 165.747  62.519  1.00 16.00           O  
-ATOM  15193  CB  ILE J  36      94.669 165.679  61.634  1.00 16.36           C  
-ATOM  15194  CG1 ILE J  36      93.284 166.353  61.624  1.00 15.56           C  
-ATOM  15195  CG2 ILE J  36      94.792 164.565  62.715  1.00 14.78           C  
-ATOM  15196  CD1 ILE J  36      92.924 167.091  62.925  1.00 13.97           C  
-ATOM  15197  N   ASN J  37      97.524 166.037  60.285  1.00 16.91           N  
-ATOM  15198  CA  ASN J  37      98.789 165.465  59.874  1.00 18.24           C  
-ATOM  15199  C   ASN J  37      99.277 165.928  58.525  1.00 18.63           C  
-ATOM  15200  O   ASN J  37      98.484 166.199  57.655  1.00 18.85           O  
-ATOM  15201  CB  ASN J  37      98.727 163.953  59.861  1.00 17.68           C  
-ATOM  15202  CG  ASN J  37      99.905 163.329  60.579  1.00 20.11           C  
-ATOM  15203  OD1 ASN J  37     101.122 163.640  60.292  1.00 19.86           O  
-ATOM  15204  ND2 ASN J  37      99.585 162.444  61.537  1.00 16.71           N  
-ATOM  15205  N   ILE J  38     100.601 166.024  58.384  1.00 19.40           N  
-ATOM  15206  CA  ILE J  38     101.240 166.296  57.117  1.00 19.58           C  
-ATOM  15207  C   ILE J  38     102.025 165.031  56.843  1.00 20.20           C  
-ATOM  15208  O   ILE J  38     102.884 164.658  57.609  1.00 20.78           O  
-ATOM  15209  CB  ILE J  38     102.107 167.551  57.201  1.00 19.64           C  
-ATOM  15210  CG1 ILE J  38     101.242 168.789  57.439  1.00 19.42           C  
-ATOM  15211  CG2 ILE J  38     102.894 167.756  55.908  1.00 19.39           C  
-ATOM  15212  CD1 ILE J  38     102.005 169.940  58.099  1.00 19.84           C  
-ATOM  15213  N   LEU J  39     101.688 164.330  55.772  1.00 21.29           N  
-ATOM  15214  CA  LEU J  39     102.183 162.961  55.573  1.00 21.84           C  
-ATOM  15215  C   LEU J  39     103.344 162.878  54.605  1.00 22.62           C  
-ATOM  15216  O   LEU J  39     104.180 161.984  54.689  1.00 23.02           O  
-ATOM  15217  CB  LEU J  39     101.064 162.074  55.049  1.00 21.74           C  
-ATOM  15218  CG  LEU J  39      99.844 162.077  55.978  1.00 23.00           C  
-ATOM  15219  CD1 LEU J  39      98.715 161.343  55.363  1.00 23.55           C  
-ATOM  15220  CD2 LEU J  39     100.204 161.500  57.343  1.00 23.23           C  
-ATOM  15221  N   GLU J  40     103.368 163.797  53.651  1.00 22.68           N  
-ATOM  15222  CA  GLU J  40     104.445 163.809  52.682  1.00 23.15           C  
-ATOM  15223  C   GLU J  40     104.603 165.203  52.153  1.00 22.09           C  
-ATOM  15224  O   GLU J  40     103.636 165.903  51.936  1.00 22.55           O  
-ATOM  15225  CB  GLU J  40     104.154 162.827  51.540  1.00 23.45           C  
-ATOM  15226  CG  GLU J  40     105.323 162.643  50.581  1.00 26.96           C  
-ATOM  15227  CD  GLU J  40     105.012 161.672  49.468  1.00 32.01           C  
-ATOM  15228  OE1 GLU J  40     103.823 161.617  49.016  1.00 33.19           O  
-ATOM  15229  OE2 GLU J  40     105.960 160.954  49.056  1.00 33.50           O  
-ATOM  15230  N   VAL J  41     105.841 165.589  51.947  1.00 21.20           N  
-ATOM  15231  CA  VAL J  41     106.166 166.880  51.428  1.00 20.58           C  
-ATOM  15232  C   VAL J  41     107.281 166.638  50.393  1.00 20.25           C  
-ATOM  15233  O   VAL J  41     108.134 165.809  50.586  1.00 19.64           O  
-ATOM  15234  CB  VAL J  41     106.605 167.793  52.601  1.00 20.99           C  
-ATOM  15235  CG1 VAL J  41     107.621 168.792  52.203  1.00 20.73           C  
-ATOM  15236  CG2 VAL J  41     105.400 168.477  53.233  1.00 20.72           C  
-ATOM  15237  N   ASN J  42     107.237 167.361  49.286  1.00 20.17           N  
-ATOM  15238  CA  ASN J  42     108.243 167.269  48.244  1.00 20.53           C  
-ATOM  15239  C   ASN J  42     108.631 168.682  47.823  1.00 20.67           C  
-ATOM  15240  O   ASN J  42     107.865 169.390  47.156  1.00 19.96           O  
-ATOM  15241  CB  ASN J  42     107.709 166.446  47.053  1.00 20.49           C  
-ATOM  15242  CG  ASN J  42     108.791 166.087  46.045  1.00 20.85           C  
-ATOM  15243  OD1 ASN J  42     109.691 166.891  45.759  1.00 21.40           O  
-ATOM  15244  ND2 ASN J  42     108.706 164.872  45.483  1.00 19.59           N  
-ATOM  15245  N   GLU J  43     109.833 169.081  48.220  1.00 21.09           N  
-ATOM  15246  CA  GLU J  43     110.346 170.414  47.900  1.00 21.85           C  
-ATOM  15247  C   GLU J  43     110.702 170.606  46.412  1.00 21.96           C  
-ATOM  15248  O   GLU J  43     110.648 171.732  45.896  1.00 21.50           O  
-ATOM  15249  CB  GLU J  43     111.537 170.772  48.803  1.00 22.27           C  
-ATOM  15250  CG  GLU J  43     111.503 172.220  49.289  1.00 24.32           C  
-ATOM  15251  CD  GLU J  43     112.701 172.616  50.159  1.00 27.44           C  
-ATOM  15252  OE1 GLU J  43     113.127 171.804  51.035  1.00 28.70           O  
-ATOM  15253  OE2 GLU J  43     113.218 173.756  49.970  1.00 27.55           O  
-ATOM  15254  N   ILE J  44     111.057 169.511  45.730  1.00 21.82           N  
-ATOM  15255  CA  ILE J  44     111.297 169.561  44.287  1.00 22.04           C  
-ATOM  15256  C   ILE J  44     109.993 169.813  43.516  1.00 21.45           C  
-ATOM  15257  O   ILE J  44     109.912 170.743  42.729  1.00 21.58           O  
-ATOM  15258  CB  ILE J  44     112.025 168.260  43.756  1.00 22.36           C  
-ATOM  15259  CG1 ILE J  44     113.300 167.927  44.561  1.00 22.89           C  
-ATOM  15260  CG2 ILE J  44     112.314 168.375  42.267  1.00 22.43           C  
-ATOM  15261  CD1 ILE J  44     114.350 169.028  44.609  1.00 24.13           C  
-ATOM  15262  N   THR J  45     108.971 169.005  43.754  1.00 20.83           N  
-ATOM  15263  CA  THR J  45     107.728 169.133  42.988  1.00 20.43           C  
-ATOM  15264  C   THR J  45     106.748 170.190  43.526  1.00 19.84           C  
-ATOM  15265  O   THR J  45     105.786 170.544  42.832  1.00 19.83           O  
-ATOM  15266  CB  THR J  45     107.019 167.774  42.833  1.00 20.29           C  
-ATOM  15267  OG1 THR J  45     106.652 167.298  44.131  1.00 20.94           O  
-ATOM  15268  CG2 THR J  45     107.969 166.703  42.287  1.00 20.29           C  
-ATOM  15269  N   ASN J  46     106.992 170.677  44.739  1.00 19.29           N  
-ATOM  15270  CA  ASN J  46     106.089 171.580  45.458  1.00 18.59           C  
-ATOM  15271  C   ASN J  46     104.713 170.965  45.699  1.00 18.68           C  
-ATOM  15272  O   ASN J  46     103.682 171.528  45.317  1.00 18.31           O  
-ATOM  15273  CB  ASN J  46     105.947 172.922  44.722  1.00 18.44           C  
-ATOM  15274  CG  ASN J  46     106.928 173.997  45.208  1.00 18.50           C  
-ATOM  15275  OD1 ASN J  46     107.332 174.052  46.385  1.00 17.50           O  
-ATOM  15276  ND2 ASN J  46     107.296 174.878  44.295  1.00 15.79           N  
-ATOM  15277  N   GLU J  47     104.695 169.806  46.337  1.00 18.91           N  
-ATOM  15278  CA  GLU J  47     103.478 169.048  46.544  1.00 19.33           C  
-ATOM  15279  C   GLU J  47     103.467 168.580  47.988  1.00 19.54           C  
-ATOM  15280  O   GLU J  47     104.513 168.221  48.549  1.00 19.41           O  
-ATOM  15281  CB  GLU J  47     103.421 167.849  45.597  1.00 19.61           C  
-ATOM  15282  CG  GLU J  47     103.250 168.205  44.122  1.00 21.57           C  
-ATOM  15283  CD  GLU J  47     103.269 167.002  43.171  1.00 25.82           C  
-ATOM  15284  OE1 GLU J  47     102.964 165.865  43.611  1.00 28.10           O  
-ATOM  15285  OE2 GLU J  47     103.577 167.192  41.958  1.00 28.04           O  
-ATOM  15286  N   VAL J  48     102.297 168.632  48.602  1.00 19.14           N  
-ATOM  15287  CA  VAL J  48     102.125 168.175  49.971  1.00 20.16           C  
-ATOM  15288  C   VAL J  48     100.920 167.255  50.102  1.00 20.24           C  
-ATOM  15289  O   VAL J  48      99.899 167.465  49.427  1.00 19.94           O  
-ATOM  15290  CB  VAL J  48     101.976 169.358  50.987  1.00 20.03           C  
-ATOM  15291  CG1 VAL J  48     103.167 170.264  50.900  1.00 20.79           C  
-ATOM  15292  CG2 VAL J  48     100.726 170.146  50.742  1.00 20.71           C  
-ATOM  15293  N   ASP J  49     101.039 166.272  50.997  1.00 20.62           N  
-ATOM  15294  CA  ASP J  49      99.971 165.323  51.297  1.00 21.50           C  
-ATOM  15295  C   ASP J  49      99.507 165.624  52.728  1.00 21.06           C  
-ATOM  15296  O   ASP J  49     100.312 165.603  53.653  1.00 20.69           O  
-ATOM  15297  CB  ASP J  49     100.536 163.913  51.150  1.00 22.16           C  
-ATOM  15298  CG  ASP J  49      99.466 162.819  51.027  1.00 25.22           C  
-ATOM  15299  OD1 ASP J  49      98.246 163.080  51.228  1.00 28.71           O  
-ATOM  15300  OD2 ASP J  49      99.795 161.626  50.733  1.00 28.80           O  
-ATOM  15301  N   VAL J  50      98.225 165.945  52.910  1.00 20.61           N  
-ATOM  15302  CA  VAL J  50      97.757 166.446  54.214  1.00 20.62           C  
-ATOM  15303  C   VAL J  50      96.455 165.755  54.668  1.00 19.73           C  
-ATOM  15304  O   VAL J  50      95.653 165.320  53.834  1.00 19.19           O  
-ATOM  15305  CB  VAL J  50      97.524 168.009  54.195  1.00 20.87           C  
-ATOM  15306  CG1 VAL J  50      97.103 168.486  55.548  1.00 22.59           C  
-ATOM  15307  CG2 VAL J  50      98.770 168.755  53.832  1.00 22.32           C  
-ATOM  15308  N   VAL J  51      96.241 165.704  55.984  1.00 18.58           N  
-ATOM  15309  CA  VAL J  51      94.969 165.290  56.564  1.00 17.51           C  
-ATOM  15310  C   VAL J  51      94.460 166.432  57.447  1.00 17.30           C  
-ATOM  15311  O   VAL J  51      95.177 166.885  58.330  1.00 16.88           O  
-ATOM  15312  CB  VAL J  51      95.094 164.033  57.459  1.00 17.79           C  
-ATOM  15313  CG1 VAL J  51      93.715 163.665  58.012  1.00 17.27           C  
-ATOM  15314  CG2 VAL J  51      95.693 162.868  56.751  1.00 17.27           C  
-ATOM  15315  N   PHE J  52      93.224 166.878  57.189  1.00 16.62           N  
-ATOM  15316  CA  PHE J  52      92.594 167.943  57.902  1.00 16.02           C  
-ATOM  15317  C   PHE J  52      91.091 167.666  58.071  1.00 17.07           C  
-ATOM  15318  O   PHE J  52      90.435 167.022  57.210  1.00 17.08           O  
-ATOM  15319  CB  PHE J  52      92.771 169.241  57.119  1.00 17.17           C  
-ATOM  15320  CG  PHE J  52      92.382 169.109  55.651  1.00 16.30           C  
-ATOM  15321  CD1 PHE J  52      93.300 168.637  54.723  1.00 11.78           C  
-ATOM  15322  CD2 PHE J  52      91.073 169.431  55.225  1.00 12.77           C  
-ATOM  15323  CE1 PHE J  52      92.939 168.517  53.339  1.00 13.32           C  
-ATOM  15324  CE2 PHE J  52      90.705 169.306  53.878  1.00 13.33           C  
-ATOM  15325  CZ  PHE J  52      91.629 168.857  52.938  1.00 13.72           C  
-ATOM  15326  N   TRP J  53      90.552 168.175  59.177  1.00 16.83           N  
-ATOM  15327  CA  TRP J  53      89.112 168.227  59.410  1.00 17.37           C  
-ATOM  15328  C   TRP J  53      88.609 169.504  58.756  1.00 18.23           C  
-ATOM  15329  O   TRP J  53      89.027 170.625  59.120  1.00 17.86           O  
-ATOM  15330  CB  TRP J  53      88.769 168.209  60.910  1.00 16.20           C  
-ATOM  15331  CG  TRP J  53      89.277 167.031  61.631  1.00 16.41           C  
-ATOM  15332  CD1 TRP J  53      89.781 165.883  61.090  1.00 16.33           C  
-ATOM  15333  CD2 TRP J  53      89.358 166.867  63.055  1.00 16.50           C  
-ATOM  15334  NE1 TRP J  53      90.174 165.028  62.086  1.00 17.07           N  
-ATOM  15335  CE2 TRP J  53      89.911 165.598  63.302  1.00 16.88           C  
-ATOM  15336  CE3 TRP J  53      89.020 167.678  64.156  1.00 18.38           C  
-ATOM  15337  CZ2 TRP J  53      90.158 165.118  64.604  1.00 19.02           C  
-ATOM  15338  CZ3 TRP J  53      89.242 167.192  65.452  1.00 19.43           C  
-ATOM  15339  CH2 TRP J  53      89.792 165.925  65.663  1.00 19.18           C  
-ATOM  15340  N   GLN J  54      87.708 169.344  57.791  1.00 18.69           N  
-ATOM  15341  CA  GLN J  54      87.169 170.502  57.091  1.00 19.64           C  
-ATOM  15342  C   GLN J  54      85.873 170.900  57.750  1.00 19.52           C  
-ATOM  15343  O   GLN J  54      84.807 170.472  57.318  1.00 19.65           O  
-ATOM  15344  CB  GLN J  54      86.945 170.170  55.616  1.00 19.75           C  
-ATOM  15345  CG  GLN J  54      86.516 171.332  54.763  1.00 23.12           C  
-ATOM  15346  CD  GLN J  54      86.618 171.025  53.272  1.00 27.85           C  
-ATOM  15347  OE1 GLN J  54      87.710 170.781  52.745  1.00 28.97           O  
-ATOM  15348  NE2 GLN J  54      85.487 170.994  52.608  1.00 29.38           N  
-ATOM  15349  N   GLN J  55      85.970 171.729  58.786  1.00 19.46           N  
-ATOM  15350  CA  GLN J  55      84.813 172.171  59.543  1.00 19.85           C  
-ATOM  15351  C   GLN J  55      83.979 173.108  58.664  1.00 20.01           C  
-ATOM  15352  O   GLN J  55      84.414 174.216  58.316  1.00 19.60           O  
-ATOM  15353  CB  GLN J  55      85.257 172.907  60.823  1.00 19.86           C  
-ATOM  15354  CG  GLN J  55      84.116 173.480  61.607  1.00 21.92           C  
-ATOM  15355  CD  GLN J  55      84.540 174.136  62.925  1.00 26.65           C  
-ATOM  15356  OE1 GLN J  55      85.634 173.892  63.420  1.00 28.44           O  
-ATOM  15357  NE2 GLN J  55      83.643 174.935  63.514  1.00 26.73           N  
-ATOM  15358  N   THR J  56      82.771 172.668  58.338  1.00 19.67           N  
-ATOM  15359  CA  THR J  56      81.892 173.407  57.449  1.00 19.82           C  
-ATOM  15360  C   THR J  56      80.538 173.619  58.110  1.00 20.06           C  
-ATOM  15361  O   THR J  56      79.891 172.654  58.569  1.00 19.83           O  
-ATOM  15362  CB  THR J  56      81.713 172.632  56.139  1.00 20.57           C  
-ATOM  15363  OG1 THR J  56      82.955 172.007  55.764  1.00 22.38           O  
-ATOM  15364  CG2 THR J  56      81.425 173.561  54.997  1.00 20.36           C  
-ATOM  15365  N   THR J  57      80.081 174.871  58.057  1.00 19.22           N  
-ATOM  15366  CA  THR J  57      78.922 175.324  58.761  1.00 19.52           C  
-ATOM  15367  C   THR J  57      78.034 176.189  57.866  1.00 18.71           C  
-ATOM  15368  O   THR J  57      78.539 177.000  57.094  1.00 18.11           O  
-ATOM  15369  CB  THR J  57      79.452 176.074  59.984  1.00 20.05           C  
-ATOM  15370  OG1 THR J  57      79.239 175.262  61.133  1.00 22.60           O  
-ATOM  15371  CG2 THR J  57      78.750 177.360  60.258  1.00 21.58           C  
-ATOM  15372  N   TRP J  58      76.727 175.978  57.932  1.00 17.33           N  
-ATOM  15373  CA  TRP J  58      75.795 176.835  57.216  1.00 17.59           C  
-ATOM  15374  C   TRP J  58      74.417 176.602  57.782  1.00 17.61           C  
-ATOM  15375  O   TRP J  58      74.195 175.677  58.566  1.00 17.70           O  
-ATOM  15376  CB  TRP J  58      75.804 176.551  55.690  1.00 16.89           C  
-ATOM  15377  CG  TRP J  58      75.233 175.201  55.369  1.00 16.34           C  
-ATOM  15378  CD1 TRP J  58      73.936 174.909  55.066  1.00 16.64           C  
-ATOM  15379  CD2 TRP J  58      75.927 173.945  55.375  1.00 15.12           C  
-ATOM  15380  NE1 TRP J  58      73.776 173.553  54.872  1.00 15.31           N  
-ATOM  15381  CE2 TRP J  58      74.986 172.939  55.057  1.00 14.19           C  
-ATOM  15382  CE3 TRP J  58      77.239 173.570  55.619  1.00 13.95           C  
-ATOM  15383  CZ2 TRP J  58      75.327 171.589  54.971  1.00 14.60           C  
-ATOM  15384  CZ3 TRP J  58      77.582 172.252  55.570  1.00 14.30           C  
-ATOM  15385  CH2 TRP J  58      76.633 171.252  55.230  1.00 15.85           C  
-ATOM  15386  N   SER J  59      73.483 177.411  57.322  1.00 17.91           N  
-ATOM  15387  CA  SER J  59      72.112 177.340  57.782  1.00 19.20           C  
-ATOM  15388  C   SER J  59      71.183 176.864  56.663  1.00 18.93           C  
-ATOM  15389  O   SER J  59      71.292 177.304  55.521  1.00 18.79           O  
-ATOM  15390  CB  SER J  59      71.711 178.733  58.281  1.00 19.16           C  
-ATOM  15391  OG  SER J  59      70.336 178.946  58.064  1.00 22.73           O  
-ATOM  15392  N   ASP J  60      70.298 175.930  56.987  1.00 19.57           N  
-ATOM  15393  CA  ASP J  60      69.242 175.515  56.077  1.00 20.06           C  
-ATOM  15394  C   ASP J  60      67.918 175.447  56.818  1.00 19.96           C  
-ATOM  15395  O   ASP J  60      67.616 174.457  57.488  1.00 19.34           O  
-ATOM  15396  CB  ASP J  60      69.571 174.163  55.458  1.00 20.29           C  
-ATOM  15397  CG  ASP J  60      68.588 173.755  54.374  1.00 22.13           C  
-ATOM  15398  OD1 ASP J  60      67.461 174.308  54.284  1.00 22.32           O  
-ATOM  15399  OD2 ASP J  60      68.880 172.896  53.531  1.00 24.56           O  
-ATOM  15400  N   ARG J  61      67.133 176.501  56.672  1.00 19.96           N  
-ATOM  15401  CA  ARG J  61      65.906 176.634  57.415  1.00 21.16           C  
-ATOM  15402  C   ARG J  61      64.794 175.641  57.011  1.00 21.32           C  
-ATOM  15403  O   ARG J  61      63.913 175.353  57.811  1.00 21.98           O  
-ATOM  15404  CB  ARG J  61      65.452 178.084  57.354  1.00 21.99           C  
-ATOM  15405  CG  ARG J  61      65.965 178.934  58.540  1.00 24.76           C  
-ATOM  15406  CD  ARG J  61      67.501 179.083  58.671  1.00 29.61           C  
-ATOM  15407  NE  ARG J  61      67.872 180.337  59.373  1.00 31.58           N  
-ATOM  15408  CZ  ARG J  61      68.687 180.434  60.442  1.00 33.91           C  
-ATOM  15409  NH1 ARG J  61      69.275 179.351  60.970  1.00 31.40           N  
-ATOM  15410  NH2 ARG J  61      68.916 181.639  60.991  1.00 34.15           N  
-ATOM  15411  N   THR J  62      64.859 175.059  55.813  1.00 20.86           N  
-ATOM  15412  CA  THR J  62      63.922 173.979  55.460  1.00 21.33           C  
-ATOM  15413  C   THR J  62      64.099 172.695  56.319  1.00 20.60           C  
-ATOM  15414  O   THR J  62      63.244 171.821  56.312  1.00 20.57           O  
-ATOM  15415  CB  THR J  62      64.013 173.598  53.960  1.00 21.32           C  
-ATOM  15416  OG1 THR J  62      65.307 173.030  53.696  1.00 23.20           O  
-ATOM  15417  CG2 THR J  62      63.968 174.832  53.050  1.00 22.44           C  
-ATOM  15418  N   LEU J  63      65.214 172.580  57.029  1.00 19.98           N  
-ATOM  15419  CA  LEU J  63      65.445 171.438  57.926  1.00 19.79           C  
-ATOM  15420  C   LEU J  63      64.874 171.659  59.338  1.00 19.59           C  
-ATOM  15421  O   LEU J  63      64.749 170.716  60.126  1.00 19.15           O  
-ATOM  15422  CB  LEU J  63      66.937 171.176  58.051  1.00 19.20           C  
-ATOM  15423  CG  LEU J  63      67.761 170.909  56.781  1.00 20.60           C  
-ATOM  15424  CD1 LEU J  63      69.220 170.704  57.169  1.00 18.57           C  
-ATOM  15425  CD2 LEU J  63      67.233 169.684  56.019  1.00 19.55           C  
-ATOM  15426  N   ALA J  64      64.556 172.917  59.654  1.00 18.92           N  
-ATOM  15427  CA  ALA J  64      64.162 173.279  61.004  1.00 18.83           C  
-ATOM  15428  C   ALA J  64      62.934 172.522  61.496  1.00 18.93           C  
-ATOM  15429  O   ALA J  64      62.053 172.152  60.707  1.00 18.88           O  
-ATOM  15430  CB  ALA J  64      63.932 174.773  61.099  1.00 19.04           C  
-ATOM  15431  N   TRP J  65      62.897 172.261  62.805  1.00 18.84           N  
-ATOM  15432  CA  TRP J  65      61.704 171.694  63.438  1.00 18.71           C  
-ATOM  15433  C   TRP J  65      61.508 172.297  64.819  1.00 19.20           C  
-ATOM  15434  O   TRP J  65      62.460 172.720  65.460  1.00 18.52           O  
-ATOM  15435  CB  TRP J  65      61.769 170.167  63.507  1.00 17.85           C  
-ATOM  15436  CG  TRP J  65      62.810 169.637  64.455  1.00 16.77           C  
-ATOM  15437  CD1 TRP J  65      62.628 169.299  65.773  1.00 14.87           C  
-ATOM  15438  CD2 TRP J  65      64.196 169.365  64.155  1.00 14.28           C  
-ATOM  15439  NE1 TRP J  65      63.803 168.821  66.302  1.00 13.52           N  
-ATOM  15440  CE2 TRP J  65      64.787 168.854  65.340  1.00 13.16           C  
-ATOM  15441  CE3 TRP J  65      64.995 169.487  63.004  1.00 13.19           C  
-ATOM  15442  CZ2 TRP J  65      66.157 168.500  65.416  1.00 12.02           C  
-ATOM  15443  CZ3 TRP J  65      66.361 169.111  63.071  1.00 12.66           C  
-ATOM  15444  CH2 TRP J  65      66.924 168.636  64.279  1.00 12.14           C  
-ATOM  15445  N   ASN J  66      60.257 172.335  65.254  1.00 19.73           N  
-ATOM  15446  CA  ASN J  66      59.946 172.707  66.613  1.00 20.90           C  
-ATOM  15447  C   ASN J  66      60.500 171.718  67.643  1.00 20.87           C  
-ATOM  15448  O   ASN J  66      60.097 170.552  67.670  1.00 21.19           O  
-ATOM  15449  CB  ASN J  66      58.431 172.866  66.781  1.00 21.44           C  
-ATOM  15450  CG  ASN J  66      58.060 173.542  68.086  1.00 22.84           C  
-ATOM  15451  OD1 ASN J  66      58.784 173.446  69.073  1.00 23.29           O  
-ATOM  15452  ND2 ASN J  66      56.925 174.238  68.093  1.00 25.40           N  
-ATOM  15453  N   SER J  67      61.402 172.223  68.485  1.00 21.19           N  
-ATOM  15454  CA  SER J  67      62.127 171.430  69.475  1.00 21.68           C  
-ATOM  15455  C   SER J  67      61.802 171.822  70.931  1.00 22.98           C  
-ATOM  15456  O   SER J  67      62.521 171.465  71.864  1.00 23.35           O  
-ATOM  15457  CB  SER J  67      63.638 171.488  69.213  1.00 21.52           C  
-ATOM  15458  OG  SER J  67      64.157 172.805  69.333  1.00 21.41           O  
-ATOM  15459  N   SER J  68      60.707 172.545  71.134  1.00 24.15           N  
-ATOM  15460  CA  SER J  68      60.226 172.786  72.492  1.00 25.33           C  
-ATOM  15461  C   SER J  68      60.132 171.487  73.314  1.00 25.20           C  
-ATOM  15462  O   SER J  68      60.531 171.454  74.479  1.00 24.88           O  
-ATOM  15463  CB  SER J  68      58.887 173.493  72.459  1.00 25.83           C  
-ATOM  15464  OG  SER J  68      59.074 174.874  72.700  1.00 28.37           O  
-ATOM  15465  N   HIS J  69      59.667 170.406  72.683  1.00 25.11           N  
-ATOM  15466  CA  HIS J  69      59.506 169.140  73.397  1.00 24.74           C  
-ATOM  15467  C   HIS J  69      60.134 167.888  72.742  1.00 24.22           C  
-ATOM  15468  O   HIS J  69      59.665 166.769  72.998  1.00 24.38           O  
-ATOM  15469  CB  HIS J  69      58.022 168.934  73.731  1.00 25.01           C  
-ATOM  15470  CG  HIS J  69      57.456 170.008  74.619  1.00 25.86           C  
-ATOM  15471  ND1 HIS J  69      57.767 170.106  75.960  1.00 26.11           N  
-ATOM  15472  CD2 HIS J  69      56.621 171.044  74.349  1.00 25.21           C  
-ATOM  15473  CE1 HIS J  69      57.127 171.140  76.484  1.00 28.39           C  
-ATOM  15474  NE2 HIS J  69      56.434 171.733  75.525  1.00 27.60           N  
-ATOM  15475  N   SER J  70      61.217 168.082  71.975  1.00 22.56           N  
-ATOM  15476  CA  SER J  70      61.866 167.041  71.164  1.00 22.15           C  
-ATOM  15477  C   SER J  70      63.386 167.203  71.238  1.00 21.84           C  
-ATOM  15478  O   SER J  70      63.855 168.268  71.656  1.00 21.66           O  
-ATOM  15479  CB  SER J  70      61.431 167.198  69.704  1.00 22.06           C  
-ATOM  15480  OG  SER J  70      60.017 167.219  69.584  1.00 22.46           O  
-ATOM  15481  N   PRO J  71      64.149 166.179  70.840  1.00 21.51           N  
-ATOM  15482  CA  PRO J  71      65.604 166.326  70.646  1.00 21.39           C  
-ATOM  15483  C   PRO J  71      65.897 167.535  69.762  1.00 20.98           C  
-ATOM  15484  O   PRO J  71      65.129 167.795  68.836  1.00 20.72           O  
-ATOM  15485  CB  PRO J  71      65.979 165.047  69.895  1.00 21.12           C  
-ATOM  15486  CG  PRO J  71      64.994 164.058  70.345  1.00 21.38           C  
-ATOM  15487  CD  PRO J  71      63.708 164.794  70.583  1.00 21.58           C  
-ATOM  15488  N   ASP J  72      66.951 168.277  70.051  1.00 20.58           N  
-ATOM  15489  CA  ASP J  72      67.183 169.485  69.288  1.00 21.35           C  
-ATOM  15490  C   ASP J  72      68.327 169.371  68.267  1.00 20.21           C  
-ATOM  15491  O   ASP J  72      68.636 170.357  67.611  1.00 20.29           O  
-ATOM  15492  CB  ASP J  72      67.359 170.686  70.240  1.00 22.75           C  
-ATOM  15493  CG  ASP J  72      68.745 170.761  70.826  1.00 26.32           C  
-ATOM  15494  OD1 ASP J  72      69.280 169.723  71.279  1.00 30.00           O  
-ATOM  15495  OD2 ASP J  72      69.396 171.820  70.847  1.00 31.88           O  
-ATOM  15496  N   GLN J  73      68.923 168.171  68.132  1.00 18.69           N  
-ATOM  15497  CA  GLN J  73      69.988 167.884  67.170  1.00 17.59           C  
-ATOM  15498  C   GLN J  73      69.920 166.417  66.718  1.00 16.59           C  
-ATOM  15499  O   GLN J  73      69.564 165.536  67.498  1.00 15.43           O  
-ATOM  15500  CB  GLN J  73      71.367 168.078  67.784  1.00 17.73           C  
-ATOM  15501  CG  GLN J  73      71.763 169.483  68.062  1.00 20.51           C  
-ATOM  15502  CD  GLN J  73      73.232 169.609  68.346  1.00 22.69           C  
-ATOM  15503  OE1 GLN J  73      74.073 168.923  67.725  1.00 24.39           O  
-ATOM  15504  NE2 GLN J  73      73.564 170.489  69.286  1.00 20.34           N  
-ATOM  15505  N   VAL J  74      70.280 166.173  65.463  1.00 15.15           N  
-ATOM  15506  CA  VAL J  74      70.387 164.795  64.928  1.00 14.36           C  
-ATOM  15507  C   VAL J  74      71.557 164.686  63.980  1.00 14.64           C  
-ATOM  15508  O   VAL J  74      72.069 165.691  63.490  1.00 14.30           O  
-ATOM  15509  CB  VAL J  74      69.117 164.323  64.193  1.00 14.29           C  
-ATOM  15510  CG1 VAL J  74      67.929 164.139  65.193  1.00 13.87           C  
-ATOM  15511  CG2 VAL J  74      68.745 165.264  63.083  1.00 12.77           C  
-ATOM  15512  N   SER J  75      71.999 163.460  63.735  1.00 14.64           N  
-ATOM  15513  CA  SER J  75      72.998 163.191  62.732  1.00 15.08           C  
-ATOM  15514  C   SER J  75      72.292 162.733  61.505  1.00 15.65           C  
-ATOM  15515  O   SER J  75      71.454 161.841  61.561  1.00 16.14           O  
-ATOM  15516  CB  SER J  75      73.967 162.110  63.190  1.00 15.28           C  
-ATOM  15517  OG  SER J  75      74.805 162.609  64.212  1.00 15.02           O  
-ATOM  15518  N   VAL J  76      72.657 163.315  60.367  1.00 16.12           N  
-ATOM  15519  CA  VAL J  76      71.952 163.049  59.107  1.00 15.77           C  
-ATOM  15520  C   VAL J  76      72.972 162.683  58.017  1.00 16.28           C  
-ATOM  15521  O   VAL J  76      73.967 163.373  57.870  1.00 15.37           O  
-ATOM  15522  CB  VAL J  76      71.154 164.306  58.662  1.00 16.22           C  
-ATOM  15523  CG1 VAL J  76      70.319 164.021  57.433  1.00 14.61           C  
-ATOM  15524  CG2 VAL J  76      70.250 164.857  59.806  1.00 14.57           C  
-ATOM  15525  N   PRO J  77      72.735 161.602  57.247  1.00 16.93           N  
-ATOM  15526  CA  PRO J  77      73.611 161.270  56.116  1.00 16.95           C  
-ATOM  15527  C   PRO J  77      73.615 162.475  55.163  1.00 17.37           C  
-ATOM  15528  O   PRO J  77      72.531 163.019  54.901  1.00 17.16           O  
-ATOM  15529  CB  PRO J  77      72.940 160.051  55.445  1.00 17.25           C  
-ATOM  15530  CG  PRO J  77      71.900 159.540  56.396  1.00 18.01           C  
-ATOM  15531  CD  PRO J  77      71.621 160.657  57.394  1.00 17.11           C  
-ATOM  15532  N   ILE J  78      74.787 162.932  54.719  1.00 17.63           N  
-ATOM  15533  CA  ILE J  78      74.833 164.089  53.785  1.00 19.52           C  
-ATOM  15534  C   ILE J  78      74.067 163.900  52.489  1.00 19.73           C  
-ATOM  15535  O   ILE J  78      73.670 164.884  51.889  1.00 20.37           O  
-ATOM  15536  CB  ILE J  78      76.266 164.594  53.499  1.00 19.91           C  
-ATOM  15537  CG1 ILE J  78      77.067 163.535  52.750  1.00 20.31           C  
-ATOM  15538  CG2 ILE J  78      76.947 165.082  54.798  1.00 18.51           C  
-ATOM  15539  CD1 ILE J  78      78.338 164.087  52.132  1.00 23.53           C  
-ATOM  15540  N   SER J  79      73.794 162.648  52.107  1.00 20.11           N  
-ATOM  15541  CA  SER J  79      72.970 162.361  50.935  1.00 21.27           C  
-ATOM  15542  C   SER J  79      71.528 162.853  51.095  1.00 20.93           C  
-ATOM  15543  O   SER J  79      70.831 163.051  50.118  1.00 21.46           O  
-ATOM  15544  CB  SER J  79      73.020 160.854  50.548  1.00 21.93           C  
-ATOM  15545  OG  SER J  79      72.451 160.016  51.565  1.00 24.34           O  
-ATOM  15546  N   SER J  80      71.093 163.087  52.317  1.00 20.57           N  
-ATOM  15547  CA  SER J  80      69.782 163.641  52.572  1.00 20.93           C  
-ATOM  15548  C   SER J  80      69.766 165.143  52.740  1.00 20.54           C  
-ATOM  15549  O   SER J  80      68.718 165.708  53.031  1.00 21.26           O  
-ATOM  15550  CB  SER J  80      69.191 162.998  53.840  1.00 20.93           C  
-ATOM  15551  OG  SER J  80      68.954 161.612  53.564  1.00 24.51           O  
-ATOM  15552  N   LEU J  81      70.910 165.789  52.597  1.00 19.67           N  
-ATOM  15553  CA  LEU J  81      71.007 167.221  52.845  1.00 19.81           C  
-ATOM  15554  C   LEU J  81      71.599 167.930  51.632  1.00 18.51           C  
-ATOM  15555  O   LEU J  81      72.404 167.370  50.920  1.00 18.08           O  
-ATOM  15556  CB  LEU J  81      71.982 167.489  54.020  1.00 20.30           C  
-ATOM  15557  CG  LEU J  81      71.681 166.979  55.411  1.00 21.82           C  
-ATOM  15558  CD1 LEU J  81      72.713 167.465  56.429  1.00 22.58           C  
-ATOM  15559  CD2 LEU J  81      70.292 167.424  55.811  1.00 24.40           C  
-ATOM  15560  N   TRP J  82      71.295 169.203  51.464  1.00 18.18           N  
-ATOM  15561  CA  TRP J  82      72.124 170.025  50.567  1.00 17.34           C  
-ATOM  15562  C   TRP J  82      73.410 170.294  51.298  1.00 17.58           C  
-ATOM  15563  O   TRP J  82      73.408 170.606  52.506  1.00 18.11           O  
-ATOM  15564  CB  TRP J  82      71.456 171.324  50.184  1.00 16.93           C  
-ATOM  15565  CG  TRP J  82      72.335 172.237  49.358  1.00 16.59           C  
-ATOM  15566  CD1 TRP J  82      72.455 172.250  47.993  1.00 15.95           C  
-ATOM  15567  CD2 TRP J  82      73.223 173.211  49.846  1.00 15.78           C  
-ATOM  15568  NE1 TRP J  82      73.338 173.219  47.589  1.00 16.29           N  
-ATOM  15569  CE2 TRP J  82      73.821 173.843  48.712  1.00 17.33           C  
-ATOM  15570  CE3 TRP J  82      73.523 173.701  51.128  1.00 15.42           C  
-ATOM  15571  CZ2 TRP J  82      74.740 174.882  48.830  1.00 14.93           C  
-ATOM  15572  CZ3 TRP J  82      74.430 174.748  51.247  1.00 15.40           C  
-ATOM  15573  CH2 TRP J  82      75.040 175.322  50.094  1.00 16.01           C  
-ATOM  15574  N   VAL J  83      74.506 170.201  50.573  1.00 17.44           N  
-ATOM  15575  CA  VAL J  83      75.827 170.473  51.109  1.00 18.40           C  
-ATOM  15576  C   VAL J  83      76.536 171.440  50.132  1.00 18.35           C  
-ATOM  15577  O   VAL J  83      76.354 171.320  48.931  1.00 18.03           O  
-ATOM  15578  CB  VAL J  83      76.597 169.121  51.291  1.00 19.28           C  
-ATOM  15579  CG1 VAL J  83      78.063 169.338  51.524  1.00 20.79           C  
-ATOM  15580  CG2 VAL J  83      76.013 168.352  52.483  1.00 19.45           C  
-ATOM  15581  N   PRO J  84      77.288 172.421  50.626  1.00 18.69           N  
-ATOM  15582  CA  PRO J  84      77.961 173.382  49.715  1.00 18.68           C  
-ATOM  15583  C   PRO J  84      78.968 172.667  48.814  1.00 18.04           C  
-ATOM  15584  O   PRO J  84      79.637 171.763  49.279  1.00 17.75           O  
-ATOM  15585  CB  PRO J  84      78.661 174.373  50.650  1.00 18.37           C  
-ATOM  15586  CG  PRO J  84      78.314 173.962  52.051  1.00 19.05           C  
-ATOM  15587  CD  PRO J  84      77.552 172.698  52.054  1.00 18.71           C  
-ATOM  15588  N   ASP J  85      78.995 173.011  47.532  1.00 17.52           N  
-ATOM  15589  CA  ASP J  85      79.860 172.347  46.559  1.00 17.41           C  
-ATOM  15590  C   ASP J  85      81.282 172.923  46.615  1.00 17.47           C  
-ATOM  15591  O   ASP J  85      81.766 173.507  45.604  1.00 17.62           O  
-ATOM  15592  CB  ASP J  85      79.296 172.509  45.130  1.00 17.19           C  
-ATOM  15593  CG  ASP J  85      79.171 173.978  44.695  1.00 19.19           C  
-ATOM  15594  OD1 ASP J  85      79.037 174.853  45.598  1.00 18.49           O  
-ATOM  15595  OD2 ASP J  85      79.192 174.345  43.484  1.00 20.09           O  
-ATOM  15596  N   LEU J  86      81.927 172.792  47.770  1.00 16.66           N  
-ATOM  15597  CA  LEU J  86      83.260 173.356  48.010  1.00 17.30           C  
-ATOM  15598  C   LEU J  86      84.369 172.551  47.326  1.00 17.57           C  
-ATOM  15599  O   LEU J  86      84.328 171.320  47.259  1.00 17.62           O  
-ATOM  15600  CB  LEU J  86      83.537 173.463  49.523  1.00 17.03           C  
-ATOM  15601  CG  LEU J  86      82.622 174.394  50.341  1.00 17.41           C  
-ATOM  15602  CD1 LEU J  86      83.057 174.415  51.767  1.00 17.20           C  
-ATOM  15603  CD2 LEU J  86      82.622 175.880  49.761  1.00 15.23           C  
-ATOM  15604  N   ALA J  87      85.374 173.249  46.810  1.00 17.22           N  
-ATOM  15605  CA  ALA J  87      86.503 172.549  46.190  1.00 17.02           C  
-ATOM  15606  C   ALA J  87      87.788 173.276  46.472  1.00 17.44           C  
-ATOM  15607  O   ALA J  87      87.809 174.541  46.534  1.00 17.32           O  
-ATOM  15608  CB  ALA J  87      86.299 172.408  44.696  1.00 16.89           C  
-ATOM  15609  N   ALA J  88      88.869 172.516  46.657  1.00 17.38           N  
-ATOM  15610  CA  ALA J  88      90.167 173.138  46.839  1.00 17.12           C  
-ATOM  15611  C   ALA J  88      90.742 173.353  45.453  1.00 17.44           C  
-ATOM  15612  O   ALA J  88      90.898 172.405  44.675  1.00 17.60           O  
-ATOM  15613  CB  ALA J  88      91.052 172.281  47.685  1.00 17.50           C  
-ATOM  15614  N   TYR J  89      91.005 174.606  45.116  1.00 16.84           N  
-ATOM  15615  CA  TYR J  89      91.436 174.973  43.756  1.00 17.35           C  
-ATOM  15616  C   TYR J  89      92.842 174.466  43.377  1.00 16.89           C  
-ATOM  15617  O   TYR J  89      93.156 174.384  42.210  1.00 16.88           O  
-ATOM  15618  CB  TYR J  89      91.438 176.492  43.590  1.00 17.00           C  
-ATOM  15619  CG  TYR J  89      90.090 177.101  43.274  1.00 18.24           C  
-ATOM  15620  CD1 TYR J  89      89.026 177.009  44.184  1.00 18.84           C  
-ATOM  15621  CD2 TYR J  89      89.874 177.772  42.067  1.00 18.63           C  
-ATOM  15622  CE1 TYR J  89      87.793 177.550  43.895  1.00 21.51           C  
-ATOM  15623  CE2 TYR J  89      88.641 178.352  41.774  1.00 19.56           C  
-ATOM  15624  CZ  TYR J  89      87.618 178.242  42.680  1.00 22.45           C  
-ATOM  15625  OH  TYR J  89      86.414 178.803  42.362  1.00 24.66           O  
-ATOM  15626  N   ASN J  90      93.687 174.206  44.372  1.00 15.69           N  
-ATOM  15627  CA  ASN J  90      95.035 173.750  44.101  1.00 15.82           C  
-ATOM  15628  C   ASN J  90      95.230 172.288  44.511  1.00 15.33           C  
-ATOM  15629  O   ASN J  90      96.367 171.823  44.619  1.00 14.96           O  
-ATOM  15630  CB  ASN J  90      96.115 174.691  44.705  1.00 15.21           C  
-ATOM  15631  CG  ASN J  90      95.946 174.899  46.210  1.00 16.34           C  
-ATOM  15632  OD1 ASN J  90      94.818 174.975  46.727  1.00 16.73           O  
-ATOM  15633  ND2 ASN J  90      97.056 174.975  46.915  1.00 14.75           N  
-ATOM  15634  N   ALA J  91      94.128 171.583  44.742  1.00 14.83           N  
-ATOM  15635  CA  ALA J  91      94.179 170.141  44.968  1.00 15.50           C  
-ATOM  15636  C   ALA J  91      94.646 169.400  43.712  1.00 15.44           C  
-ATOM  15637  O   ALA J  91      94.309 169.786  42.579  1.00 14.94           O  
-ATOM  15638  CB  ALA J  91      92.841 169.619  45.415  1.00 15.36           C  
-ATOM  15639  N   ILE J  92      95.425 168.345  43.909  1.00 15.89           N  
-ATOM  15640  CA  ILE J  92      95.907 167.537  42.783  1.00 16.23           C  
-ATOM  15641  C   ILE J  92      95.524 166.076  42.983  1.00 17.21           C  
-ATOM  15642  O   ILE J  92      95.991 165.149  42.275  1.00 16.90           O  
-ATOM  15643  CB  ILE J  92      97.439 167.715  42.594  1.00 16.61           C  
-ATOM  15644  CG1 ILE J  92      98.193 167.399  43.881  1.00 16.20           C  
-ATOM  15645  CG2 ILE J  92      97.779 169.166  42.116  1.00 15.66           C  
-ATOM  15646  CD1 ILE J  92      99.682 167.209  43.700  1.00 16.06           C  
-ATOM  15647  N   SER J  93      94.674 165.850  43.967  1.00 17.46           N  
-ATOM  15648  CA  SER J  93      94.051 164.555  44.103  1.00 18.75           C  
-ATOM  15649  C   SER J  93      92.615 164.794  44.527  1.00 19.55           C  
-ATOM  15650  O   SER J  93      92.287 165.871  45.043  1.00 19.51           O  
-ATOM  15651  CB  SER J  93      94.810 163.670  45.112  1.00 18.58           C  
-ATOM  15652  OG  SER J  93      94.556 164.092  46.441  1.00 18.62           O  
-ATOM  15653  N   LYS J  94      91.763 163.794  44.316  1.00 20.66           N  
-ATOM  15654  CA  LYS J  94      90.394 163.868  44.797  1.00 22.28           C  
-ATOM  15655  C   LYS J  94      90.431 163.718  46.315  1.00 23.04           C  
-ATOM  15656  O   LYS J  94      91.180 162.892  46.833  1.00 22.43           O  
-ATOM  15657  CB  LYS J  94      89.473 162.842  44.089  1.00 23.25           C  
-ATOM  15658  CG  LYS J  94      89.390 161.420  44.708  1.00 27.43           C  
-ATOM  15659  CD  LYS J  94      89.452 160.286  43.640  1.00 31.52           C  
-ATOM  15660  CE  LYS J  94      88.067 160.033  42.988  1.00 34.86           C  
-ATOM  15661  NZ  LYS J  94      87.810 160.935  41.800  1.00 36.68           N  
-ATOM  15662  N   PRO J  95      89.647 164.538  47.020  1.00 23.23           N  
-ATOM  15663  CA  PRO J  95      89.533 164.434  48.471  1.00 23.34           C  
-ATOM  15664  C   PRO J  95      89.135 163.020  48.891  1.00 23.12           C  
-ATOM  15665  O   PRO J  95      88.141 162.470  48.429  1.00 23.28           O  
-ATOM  15666  CB  PRO J  95      88.398 165.410  48.800  1.00 24.26           C  
-ATOM  15667  CG  PRO J  95      87.693 165.637  47.483  1.00 23.13           C  
-ATOM  15668  CD  PRO J  95      88.750 165.576  46.470  1.00 23.21           C  
-ATOM  15669  N   GLU J  96      89.939 162.435  49.758  1.00 22.71           N  
-ATOM  15670  CA  GLU J  96      89.637 161.145  50.341  1.00 23.07           C  
-ATOM  15671  C   GLU J  96      89.027 161.448  51.707  1.00 21.90           C  
-ATOM  15672  O   GLU J  96      89.694 162.006  52.563  1.00 21.56           O  
-ATOM  15673  CB  GLU J  96      90.954 160.362  50.449  1.00 23.54           C  
-ATOM  15674  CG  GLU J  96      90.870 158.908  50.860  1.00 28.39           C  
-ATOM  15675  CD  GLU J  96      92.252 158.234  50.908  1.00 35.14           C  
-ATOM  15676  OE1 GLU J  96      93.162 158.681  50.140  1.00 38.29           O  
-ATOM  15677  OE2 GLU J  96      92.458 157.255  51.704  1.00 38.35           O  
-ATOM  15678  N   VAL J  97      87.744 161.131  51.870  1.00 21.28           N  
-ATOM  15679  CA  VAL J  97      87.011 161.324  53.132  1.00 19.91           C  
-ATOM  15680  C   VAL J  97      87.243 160.097  54.009  1.00 19.94           C  
-ATOM  15681  O   VAL J  97      86.881 158.981  53.640  1.00 19.14           O  
-ATOM  15682  CB  VAL J  97      85.492 161.476  52.873  1.00 20.57           C  
-ATOM  15683  CG1 VAL J  97      84.751 161.671  54.176  1.00 19.19           C  
-ATOM  15684  CG2 VAL J  97      85.209 162.648  51.880  1.00 19.24           C  
-ATOM  15685  N   LEU J  98      87.829 160.316  55.186  1.00 19.39           N  
-ATOM  15686  CA  LEU J  98      88.215 159.230  56.056  1.00 19.35           C  
-ATOM  15687  C   LEU J  98      87.134 158.845  57.064  1.00 18.94           C  
-ATOM  15688  O   LEU J  98      87.251 157.811  57.675  1.00 19.09           O  
-ATOM  15689  CB  LEU J  98      89.522 159.591  56.777  1.00 19.37           C  
-ATOM  15690  CG  LEU J  98      90.694 160.066  55.904  1.00 19.90           C  
-ATOM  15691  CD1 LEU J  98      91.829 160.451  56.780  1.00 19.50           C  
-ATOM  15692  CD2 LEU J  98      91.164 158.958  54.964  1.00 20.35           C  
-ATOM  15693  N   THR J  99      86.102 159.675  57.224  1.00 18.41           N  
-ATOM  15694  CA  THR J  99      85.141 159.535  58.323  1.00 18.21           C  
-ATOM  15695  C   THR J  99      83.727 159.312  57.828  1.00 18.40           C  
-ATOM  15696  O   THR J  99      83.481 159.558  56.681  1.00 18.58           O  
-ATOM  15697  CB  THR J  99      85.142 160.799  59.197  1.00 18.07           C  
-ATOM  15698  OG1 THR J  99      85.174 161.947  58.375  1.00 16.53           O  
-ATOM  15699  CG2 THR J  99      86.414 160.859  60.006  1.00 16.95           C  
-ATOM  15700  N   PRO J 100      82.817 158.836  58.684  1.00 18.65           N  
-ATOM  15701  CA  PRO J 100      81.421 158.628  58.276  1.00 18.72           C  
-ATOM  15702  C   PRO J 100      80.802 159.907  57.736  1.00 19.08           C  
-ATOM  15703  O   PRO J 100      80.949 160.973  58.338  1.00 18.74           O  
-ATOM  15704  CB  PRO J 100      80.736 158.176  59.583  1.00 18.71           C  
-ATOM  15705  CG  PRO J 100      81.877 157.518  60.395  1.00 19.03           C  
-ATOM  15706  CD  PRO J 100      83.073 158.342  60.059  1.00 18.11           C  
-ATOM  15707  N   GLN J 101      80.067 159.805  56.639  1.00 18.69           N  
-ATOM  15708  CA  GLN J 101      79.578 161.002  55.980  1.00 19.75           C  
-ATOM  15709  C   GLN J 101      78.244 161.520  56.545  1.00 19.24           C  
-ATOM  15710  O   GLN J 101      77.207 161.490  55.871  1.00 19.01           O  
-ATOM  15711  CB  GLN J 101      79.554 160.809  54.467  1.00 19.60           C  
-ATOM  15712  CG  GLN J 101      80.982 160.881  53.865  1.00 23.93           C  
-ATOM  15713  CD  GLN J 101      81.064 160.412  52.372  1.00 28.98           C  
-ATOM  15714  OE1 GLN J 101      80.364 160.949  51.543  1.00 31.58           O  
-ATOM  15715  NE2 GLN J 101      81.912 159.406  52.065  1.00 29.28           N  
-ATOM  15716  N   LEU J 102      78.290 161.970  57.801  1.00 18.57           N  
-ATOM  15717  CA  LEU J 102      77.100 162.437  58.518  1.00 17.74           C  
-ATOM  15718  C   LEU J 102      77.355 163.857  58.923  1.00 17.32           C  
-ATOM  15719  O   LEU J 102      78.501 164.215  59.256  1.00 16.54           O  
-ATOM  15720  CB  LEU J 102      76.827 161.587  59.748  1.00 18.35           C  
-ATOM  15721  CG  LEU J 102      76.745 160.046  59.638  1.00 20.51           C  
-ATOM  15722  CD1 LEU J 102      76.673 159.381  61.020  1.00 21.60           C  
-ATOM  15723  CD2 LEU J 102      75.514 159.699  58.876  1.00 20.59           C  
-ATOM  15724  N   ALA J 103      76.304 164.668  58.841  1.00 16.53           N  
-ATOM  15725  CA  ALA J 103      76.324 166.031  59.324  1.00 16.86           C  
-ATOM  15726  C   ALA J 103      75.460 166.097  60.549  1.00 16.99           C  
-ATOM  15727  O   ALA J 103      74.555 165.258  60.745  1.00 17.90           O  
-ATOM  15728  CB  ALA J 103      75.798 166.995  58.235  1.00 16.43           C  
-ATOM  15729  N   ARG J 104      75.733 167.077  61.380  1.00 16.41           N  
-ATOM  15730  CA  ARG J 104      74.947 167.295  62.575  1.00 16.29           C  
-ATOM  15731  C   ARG J 104      74.020 168.450  62.272  1.00 15.95           C  
-ATOM  15732  O   ARG J 104      74.478 169.484  61.768  1.00 16.27           O  
-ATOM  15733  CB  ARG J 104      75.888 167.631  63.728  1.00 16.39           C  
-ATOM  15734  CG  ARG J 104      75.276 167.502  65.076  1.00 18.06           C  
-ATOM  15735  CD  ARG J 104      75.136 166.080  65.574  1.00 18.06           C  
-ATOM  15736  NE  ARG J 104      74.513 166.141  66.890  1.00 16.90           N  
-ATOM  15737  CZ  ARG J 104      73.924 165.123  67.508  1.00 17.63           C  
-ATOM  15738  NH1 ARG J 104      73.855 163.927  66.914  1.00 14.04           N  
-ATOM  15739  NH2 ARG J 104      73.417 165.311  68.725  1.00 14.67           N  
-ATOM  15740  N   VAL J 105      72.722 168.275  62.527  1.00 15.53           N  
-ATOM  15741  CA  VAL J 105      71.716 169.271  62.168  1.00 14.87           C  
-ATOM  15742  C   VAL J 105      71.022 169.688  63.473  1.00 15.36           C  
-ATOM  15743  O   VAL J 105      70.569 168.829  64.236  1.00 14.70           O  
-ATOM  15744  CB  VAL J 105      70.665 168.711  61.176  1.00 15.31           C  
-ATOM  15745  CG1 VAL J 105      69.569 169.708  60.916  1.00 14.29           C  
-ATOM  15746  CG2 VAL J 105      71.304 168.221  59.817  1.00 15.17           C  
-ATOM  15747  N   VAL J 106      70.949 170.994  63.720  1.00 14.51           N  
-ATOM  15748  CA  VAL J 106      70.283 171.543  64.913  1.00 14.91           C  
-ATOM  15749  C   VAL J 106      68.878 171.936  64.509  1.00 14.75           C  
-ATOM  15750  O   VAL J 106      68.651 172.198  63.332  1.00 14.35           O  
-ATOM  15751  CB  VAL J 106      71.100 172.750  65.516  1.00 15.24           C  
-ATOM  15752  CG1 VAL J 106      70.497 173.287  66.835  1.00 13.58           C  
-ATOM  15753  CG2 VAL J 106      72.537 172.360  65.705  1.00 15.10           C  
-ATOM  15754  N   SER J 107      67.942 171.949  65.457  1.00 14.98           N  
-ATOM  15755  CA  SER J 107      66.531 172.197  65.166  1.00 15.54           C  
-ATOM  15756  C   SER J 107      66.221 173.547  64.537  1.00 16.12           C  
-ATOM  15757  O   SER J 107      65.128 173.733  63.992  1.00 15.91           O  
-ATOM  15758  CB  SER J 107      65.682 172.059  66.426  1.00 15.39           C  
-ATOM  15759  OG  SER J 107      65.965 173.113  67.326  1.00 15.08           O  
-ATOM  15760  N   ASP J 108      67.139 174.498  64.645  1.00 16.61           N  
-ATOM  15761  CA  ASP J 108      66.916 175.792  63.984  1.00 18.23           C  
-ATOM  15762  C   ASP J 108      67.408 175.799  62.534  1.00 17.98           C  
-ATOM  15763  O   ASP J 108      67.258 176.793  61.819  1.00 18.24           O  
-ATOM  15764  CB  ASP J 108      67.519 176.960  64.787  1.00 18.49           C  
-ATOM  15765  CG  ASP J 108      69.039 176.866  64.933  1.00 21.47           C  
-ATOM  15766  OD1 ASP J 108      69.666 175.933  64.383  1.00 23.38           O  
-ATOM  15767  OD2 ASP J 108      69.715 177.702  65.586  1.00 24.93           O  
-ATOM  15768  N   GLY J 109      67.979 174.682  62.092  1.00 17.67           N  
-ATOM  15769  CA  GLY J 109      68.438 174.577  60.721  1.00 17.78           C  
-ATOM  15770  C   GLY J 109      69.949 174.762  60.562  1.00 18.07           C  
-ATOM  15771  O   GLY J 109      70.458 174.751  59.443  1.00 18.26           O  
-ATOM  15772  N   GLU J 110      70.684 174.926  61.660  1.00 17.92           N  
-ATOM  15773  CA  GLU J 110      72.149 175.020  61.551  1.00 18.69           C  
-ATOM  15774  C   GLU J 110      72.733 173.633  61.260  1.00 18.10           C  
-ATOM  15775  O   GLU J 110      72.297 172.620  61.828  1.00 17.12           O  
-ATOM  15776  CB  GLU J 110      72.795 175.581  62.810  1.00 19.01           C  
-ATOM  15777  CG  GLU J 110      72.448 177.027  63.108  1.00 24.46           C  
-ATOM  15778  CD  GLU J 110      72.879 177.970  62.005  1.00 31.09           C  
-ATOM  15779  OE1 GLU J 110      74.057 177.878  61.567  1.00 33.58           O  
-ATOM  15780  OE2 GLU J 110      72.032 178.787  61.573  1.00 34.12           O  
-ATOM  15781  N   VAL J 111      73.696 173.592  60.340  1.00 17.12           N  
-ATOM  15782  CA  VAL J 111      74.298 172.347  59.973  1.00 16.14           C  
-ATOM  15783  C   VAL J 111      75.805 172.422  60.208  1.00 16.62           C  
-ATOM  15784  O   VAL J 111      76.429 173.396  59.872  1.00 16.39           O  
-ATOM  15785  CB  VAL J 111      74.019 171.993  58.500  1.00 16.48           C  
-ATOM  15786  CG1 VAL J 111      74.527 170.569  58.163  1.00 15.32           C  
-ATOM  15787  CG2 VAL J 111      72.530 172.101  58.165  1.00 14.91           C  
-ATOM  15788  N   LEU J 112      76.387 171.367  60.771  1.00 16.83           N  
-ATOM  15789  CA  LEU J 112      77.840 171.225  60.906  1.00 16.85           C  
-ATOM  15790  C   LEU J 112      78.238 169.923  60.231  1.00 17.24           C  
-ATOM  15791  O   LEU J 112      77.824 168.847  60.644  1.00 16.38           O  
-ATOM  15792  CB  LEU J 112      78.248 171.152  62.385  1.00 17.11           C  
-ATOM  15793  CG  LEU J 112      79.708 170.735  62.680  1.00 19.03           C  
-ATOM  15794  CD1 LEU J 112      80.682 171.709  62.085  1.00 16.52           C  
-ATOM  15795  CD2 LEU J 112      79.943 170.658  64.172  1.00 20.20           C  
-ATOM  15796  N   TYR J 113      79.007 170.037  59.170  1.00 17.32           N  
-ATOM  15797  CA  TYR J 113      79.578 168.900  58.490  1.00 17.80           C  
-ATOM  15798  C   TYR J 113      81.109 169.022  58.640  1.00 17.70           C  
-ATOM  15799  O   TYR J 113      81.697 170.015  58.237  1.00 17.48           O  
-ATOM  15800  CB  TYR J 113      79.163 168.891  57.009  1.00 17.78           C  
-ATOM  15801  CG  TYR J 113      79.701 167.680  56.248  1.00 19.09           C  
-ATOM  15802  CD1 TYR J 113      79.683 166.404  56.829  1.00 20.40           C  
-ATOM  15803  CD2 TYR J 113      80.288 167.812  54.997  1.00 20.31           C  
-ATOM  15804  CE1 TYR J 113      80.231 165.273  56.165  1.00 21.94           C  
-ATOM  15805  CE2 TYR J 113      80.858 166.661  54.315  1.00 19.81           C  
-ATOM  15806  CZ  TYR J 113      80.800 165.416  54.921  1.00 22.52           C  
-ATOM  15807  OH  TYR J 113      81.310 164.270  54.311  1.00 26.60           O  
-ATOM  15808  N   MET J 114      81.737 168.019  59.233  1.00 17.50           N  
-ATOM  15809  CA  MET J 114      83.175 168.080  59.541  1.00 17.92           C  
-ATOM  15810  C   MET J 114      83.892 166.777  59.217  1.00 17.32           C  
-ATOM  15811  O   MET J 114      84.299 166.039  60.127  1.00 16.89           O  
-ATOM  15812  CB  MET J 114      83.399 168.407  61.018  1.00 18.14           C  
-ATOM  15813  CG  MET J 114      84.830 168.783  61.366  1.00 20.98           C  
-ATOM  15814  SD  MET J 114      85.042 169.751  62.934  1.00 27.47           S  
-ATOM  15815  CE  MET J 114      83.456 169.812  63.500  1.00 26.93           C  
-ATOM  15816  N   PRO J 115      84.067 166.501  57.932  1.00 16.86           N  
-ATOM  15817  CA  PRO J 115      84.772 165.290  57.502  1.00 16.78           C  
-ATOM  15818  C   PRO J 115      86.263 165.404  57.740  1.00 17.15           C  
-ATOM  15819  O   PRO J 115      86.817 166.513  57.637  1.00 17.32           O  
-ATOM  15820  CB  PRO J 115      84.506 165.255  55.993  1.00 16.98           C  
-ATOM  15821  CG  PRO J 115      84.284 166.666  55.574  1.00 16.47           C  
-ATOM  15822  CD  PRO J 115      83.596 167.304  56.785  1.00 17.02           C  
-ATOM  15823  N   SER J 116      86.913 164.291  58.067  1.00 16.79           N  
-ATOM  15824  CA  SER J 116      88.365 164.219  57.969  1.00 17.07           C  
-ATOM  15825  C   SER J 116      88.747 163.882  56.517  1.00 17.19           C  
-ATOM  15826  O   SER J 116      88.290 162.899  55.929  1.00 16.92           O  
-ATOM  15827  CB  SER J 116      88.906 163.181  58.931  1.00 16.99           C  
-ATOM  15828  OG  SER J 116      90.299 163.161  58.905  1.00 18.80           O  
-ATOM  15829  N   ILE J 117      89.612 164.701  55.946  1.00 17.67           N  
-ATOM  15830  CA  ILE J 117      89.983 164.561  54.550  1.00 17.80           C  
-ATOM  15831  C   ILE J 117      91.493 164.368  54.376  1.00 17.73           C  
-ATOM  15832  O   ILE J 117      92.300 165.016  55.045  1.00 17.28           O  
-ATOM  15833  CB  ILE J 117      89.495 165.794  53.770  1.00 18.42           C  
-ATOM  15834  CG1 ILE J 117      87.952 165.823  53.750  1.00 19.99           C  
-ATOM  15835  CG2 ILE J 117      90.065 165.794  52.351  1.00 17.80           C  
-ATOM  15836  CD1 ILE J 117      87.325 166.877  52.839  1.00 20.93           C  
-ATOM  15837  N   ARG J 118      91.862 163.455  53.486  1.00 17.45           N  
-ATOM  15838  CA  ARG J 118      93.234 163.338  53.070  1.00 17.81           C  
-ATOM  15839  C   ARG J 118      93.275 163.786  51.603  1.00 17.84           C  
-ATOM  15840  O   ARG J 118      92.511 163.297  50.780  1.00 17.36           O  
-ATOM  15841  CB  ARG J 118      93.766 161.926  53.215  1.00 18.03           C  
-ATOM  15842  CG  ARG J 118      95.236 161.817  52.832  1.00 19.86           C  
-ATOM  15843  CD  ARG J 118      95.789 160.394  52.741  1.00 23.26           C  
-ATOM  15844  NE  ARG J 118      97.227 160.432  52.458  1.00 26.66           N  
-ATOM  15845  CZ  ARG J 118      98.140 159.542  52.901  1.00 28.13           C  
-ATOM  15846  NH1 ARG J 118      97.791 158.502  53.661  1.00 27.97           N  
-ATOM  15847  NH2 ARG J 118      99.415 159.690  52.569  1.00 27.62           N  
-ATOM  15848  N   GLN J 119      94.145 164.750  51.310  1.00 17.16           N  
-ATOM  15849  CA  GLN J 119      94.210 165.348  49.985  1.00 17.11           C  
-ATOM  15850  C   GLN J 119      95.607 165.874  49.662  1.00 16.90           C  
-ATOM  15851  O   GLN J 119      96.300 166.347  50.552  1.00 16.55           O  
-ATOM  15852  CB  GLN J 119      93.213 166.502  49.877  1.00 17.23           C  
-ATOM  15853  CG  GLN J 119      92.901 166.864  48.446  1.00 17.56           C  
-ATOM  15854  CD  GLN J 119      91.594 167.612  48.250  1.00 18.33           C  
-ATOM  15855  OE1 GLN J 119      91.138 168.363  49.110  1.00 20.16           O  
-ATOM  15856  NE2 GLN J 119      91.017 167.436  47.084  1.00 18.35           N  
-ATOM  15857  N   ARG J 120      96.009 165.803  48.386  1.00 17.09           N  
-ATOM  15858  CA  ARG J 120      97.292 166.423  47.965  1.00 17.31           C  
-ATOM  15859  C   ARG J 120      97.153 167.800  47.273  1.00 16.05           C  
-ATOM  15860  O   ARG J 120      96.200 168.094  46.548  1.00 15.94           O  
-ATOM  15861  CB  ARG J 120      98.104 165.483  47.085  1.00 17.49           C  
-ATOM  15862  CG  ARG J 120      98.660 164.262  47.811  1.00 21.57           C  
-ATOM  15863  CD  ARG J 120      99.208 163.166  46.892  1.00 28.25           C  
-ATOM  15864  NE  ARG J 120      98.105 162.398  46.321  1.00 32.90           N  
-ATOM  15865  CZ  ARG J 120      98.172 161.615  45.244  1.00 34.60           C  
-ATOM  15866  NH1 ARG J 120      99.314 161.444  44.578  1.00 35.37           N  
-ATOM  15867  NH2 ARG J 120      97.070 160.989  44.839  1.00 35.08           N  
-ATOM  15868  N   PHE J 121      98.125 168.653  47.477  1.00 16.62           N  
-ATOM  15869  CA  PHE J 121      97.961 170.022  47.013  1.00 17.36           C  
-ATOM  15870  C   PHE J 121      99.236 170.420  46.391  1.00 17.28           C  
-ATOM  15871  O   PHE J 121     100.308 169.967  46.808  1.00 17.55           O  
-ATOM  15872  CB  PHE J 121      97.648 170.965  48.168  1.00 16.85           C  
-ATOM  15873  CG  PHE J 121      96.356 170.665  48.843  1.00 20.50           C  
-ATOM  15874  CD1 PHE J 121      95.148 171.119  48.287  1.00 20.08           C  
-ATOM  15875  CD2 PHE J 121      96.323 169.885  50.029  1.00 20.94           C  
-ATOM  15876  CE1 PHE J 121      93.931 170.822  48.896  1.00 19.53           C  
-ATOM  15877  CE2 PHE J 121      95.107 169.577  50.647  1.00 18.35           C  
-ATOM  15878  CZ  PHE J 121      93.903 170.039  50.073  1.00 20.40           C  
-ATOM  15879  N   SER J 122      99.119 171.295  45.412  1.00 16.32           N  
-ATOM  15880  CA  SER J 122     100.257 171.930  44.803  1.00 16.67           C  
-ATOM  15881  C   SER J 122     100.408 173.277  45.504  1.00 17.32           C  
-ATOM  15882  O   SER J 122      99.500 174.091  45.490  1.00 16.88           O  
-ATOM  15883  CB  SER J 122      99.983 172.122  43.319  1.00 16.14           C  
-ATOM  15884  OG  SER J 122     100.838 173.125  42.788  1.00 16.54           O  
-ATOM  15885  N   CYS J 123     101.542 173.507  46.133  1.00 18.31           N  
-ATOM  15886  CA  CYS J 123     101.770 174.762  46.853  1.00 20.20           C  
-ATOM  15887  C   CYS J 123     103.259 174.953  47.178  1.00 19.84           C  
-ATOM  15888  O   CYS J 123     104.086 174.098  46.867  1.00 19.75           O  
-ATOM  15889  CB  CYS J 123     100.909 174.837  48.118  1.00 20.94           C  
-ATOM  15890  SG  CYS J 123     101.250 173.496  49.287  1.00 26.06           S  
-ATOM  15891  N   ASP J 124     103.581 176.103  47.760  1.00 20.03           N  
-ATOM  15892  CA  ASP J 124     104.967 176.489  48.046  1.00 19.73           C  
-ATOM  15893  C   ASP J 124     105.532 175.692  49.209  1.00 19.57           C  
-ATOM  15894  O   ASP J 124     105.184 175.936  50.364  1.00 19.41           O  
-ATOM  15895  CB  ASP J 124     105.036 177.976  48.350  1.00 19.52           C  
-ATOM  15896  CG  ASP J 124     106.423 178.543  48.171  1.00 20.42           C  
-ATOM  15897  OD1 ASP J 124     107.381 177.779  47.928  1.00 19.91           O  
-ATOM  15898  OD2 ASP J 124     106.658 179.761  48.255  1.00 21.61           O  
-ATOM  15899  N   VAL J 125     106.393 174.732  48.891  1.00 19.36           N  
-ATOM  15900  CA  VAL J 125     107.055 173.901  49.902  1.00 19.06           C  
-ATOM  15901  C   VAL J 125     108.449 174.461  50.264  1.00 18.66           C  
-ATOM  15902  O   VAL J 125     109.112 173.971  51.180  1.00 18.28           O  
-ATOM  15903  CB  VAL J 125     107.082 172.397  49.449  1.00 19.23           C  
-ATOM  15904  CG1 VAL J 125     107.759 171.497  50.440  1.00 19.02           C  
-ATOM  15905  CG2 VAL J 125     105.663 171.907  49.222  1.00 18.76           C  
-ATOM  15906  N   SER J 126     108.878 175.512  49.573  1.00 18.41           N  
-ATOM  15907  CA  SER J 126     110.227 176.019  49.792  1.00 18.58           C  
-ATOM  15908  C   SER J 126     110.365 176.523  51.228  1.00 18.21           C  
-ATOM  15909  O   SER J 126     109.442 177.125  51.775  1.00 17.64           O  
-ATOM  15910  CB  SER J 126     110.609 177.117  48.773  1.00 18.51           C  
-ATOM  15911  OG  SER J 126     109.845 178.293  48.981  1.00 18.89           O  
-ATOM  15912  N   GLY J 127     111.523 176.253  51.821  1.00 18.02           N  
-ATOM  15913  CA  GLY J 127     111.805 176.641  53.189  1.00 17.73           C  
-ATOM  15914  C   GLY J 127     111.308 175.686  54.260  1.00 17.37           C  
-ATOM  15915  O   GLY J 127     111.463 175.977  55.431  1.00 17.36           O  
-ATOM  15916  N   VAL J 128     110.745 174.550  53.870  1.00 17.09           N  
-ATOM  15917  CA  VAL J 128     110.158 173.608  54.819  1.00 17.19           C  
-ATOM  15918  C   VAL J 128     111.150 173.103  55.857  1.00 16.98           C  
-ATOM  15919  O   VAL J 128     110.780 172.715  56.966  1.00 17.13           O  
-ATOM  15920  CB  VAL J 128     109.467 172.396  54.096  1.00 17.12           C  
-ATOM  15921  CG1 VAL J 128     110.486 171.473  53.432  1.00 16.94           C  
-ATOM  15922  CG2 VAL J 128     108.631 171.608  55.072  1.00 17.05           C  
-ATOM  15923  N   ASP J 129     112.408 173.125  55.470  1.00 15.69           N  
-ATOM  15924  CA  ASP J 129     113.464 172.483  56.212  1.00 14.77           C  
-ATOM  15925  C   ASP J 129     114.288 173.510  57.002  1.00 14.18           C  
-ATOM  15926  O   ASP J 129     115.351 173.183  57.543  1.00 14.20           O  
-ATOM  15927  CB  ASP J 129     114.319 171.700  55.206  1.00 14.25           C  
-ATOM  15928  CG  ASP J 129     114.734 170.341  55.723  1.00 14.98           C  
-ATOM  15929  OD1 ASP J 129     114.408 170.021  56.890  1.00 10.25           O  
-ATOM  15930  OD2 ASP J 129     115.436 169.539  55.039  1.00 18.37           O  
-ATOM  15931  N   THR J 130     113.775 174.745  57.075  1.00 13.71           N  
-ATOM  15932  CA  THR J 130     114.429 175.876  57.766  1.00 13.07           C  
-ATOM  15933  C   THR J 130     113.614 176.333  58.974  1.00 13.24           C  
-ATOM  15934  O   THR J 130     112.497 175.896  59.153  1.00 13.03           O  
-ATOM  15935  CB  THR J 130     114.611 177.087  56.801  1.00 13.00           C  
-ATOM  15936  OG1 THR J 130     113.359 177.775  56.640  1.00 11.27           O  
-ATOM  15937  CG2 THR J 130     114.981 176.636  55.355  1.00 12.59           C  
-ATOM  15938  N   GLU J 131     114.167 177.245  59.763  1.00 14.40           N  
-ATOM  15939  CA  GLU J 131     113.498 177.790  60.952  1.00 15.67           C  
-ATOM  15940  C   GLU J 131     112.162 178.455  60.600  1.00 16.04           C  
-ATOM  15941  O   GLU J 131     111.151 178.165  61.230  1.00 16.02           O  
-ATOM  15942  CB  GLU J 131     114.396 178.795  61.722  1.00 14.75           C  
-ATOM  15943  CG  GLU J 131     115.737 178.267  62.240  1.00 17.70           C  
-ATOM  15944  CD  GLU J 131     116.902 179.283  62.117  1.00 20.34           C  
-ATOM  15945  OE1 GLU J 131     116.688 180.418  61.625  1.00 21.91           O  
-ATOM  15946  OE2 GLU J 131     118.062 178.961  62.496  1.00 19.99           O  
-ATOM  15947  N   SER J 132     112.168 179.342  59.605  1.00 17.84           N  
-ATOM  15948  CA  SER J 132     110.982 180.102  59.200  1.00 18.72           C  
-ATOM  15949  C   SER J 132     109.908 179.218  58.572  1.00 18.58           C  
-ATOM  15950  O   SER J 132     108.742 179.591  58.535  1.00 18.84           O  
-ATOM  15951  CB  SER J 132     111.346 181.210  58.211  1.00 18.46           C  
-ATOM  15952  OG  SER J 132     112.476 181.938  58.644  1.00 20.95           O  
-ATOM  15953  N   GLY J 133     110.316 178.058  58.061  1.00 18.61           N  
-ATOM  15954  CA  GLY J 133     109.399 177.073  57.519  1.00 18.04           C  
-ATOM  15955  C   GLY J 133     108.837 177.439  56.158  1.00 18.27           C  
-ATOM  15956  O   GLY J 133     109.181 178.467  55.574  1.00 17.34           O  
-ATOM  15957  N   ALA J 134     107.975 176.561  55.648  1.00 18.38           N  
-ATOM  15958  CA  ALA J 134     107.289 176.764  54.380  1.00 18.76           C  
-ATOM  15959  C   ALA J 134     105.899 177.321  54.664  1.00 19.27           C  
-ATOM  15960  O   ALA J 134     105.363 177.155  55.767  1.00 18.93           O  
-ATOM  15961  CB  ALA J 134     107.184 175.436  53.604  1.00 17.76           C  
-ATOM  15962  N   THR J 135     105.319 177.983  53.667  1.00 19.97           N  
-ATOM  15963  CA  THR J 135     103.932 178.431  53.761  1.00 20.87           C  
-ATOM  15964  C   THR J 135     103.139 177.935  52.571  1.00 21.49           C  
-ATOM  15965  O   THR J 135     103.281 178.474  51.461  1.00 21.54           O  
-ATOM  15966  CB  THR J 135     103.833 179.959  53.851  1.00 20.70           C  
-ATOM  15967  OG1 THR J 135     104.416 180.412  55.085  1.00 23.04           O  
-ATOM  15968  CG2 THR J 135     102.348 180.407  53.928  1.00 19.92           C  
-ATOM  15969  N   CYS J 136     102.308 176.923  52.830  1.00 21.74           N  
-ATOM  15970  CA  CYS J 136     101.467 176.282  51.831  1.00 23.02           C  
-ATOM  15971  C   CYS J 136     100.071 176.905  51.913  1.00 22.48           C  
-ATOM  15972  O   CYS J 136      99.451 176.953  52.976  1.00 22.77           O  
-ATOM  15973  CB  CYS J 136     101.426 174.757  52.061  1.00 22.90           C  
-ATOM  15974  SG  CYS J 136     100.224 173.819  51.051  1.00 31.38           S  
-ATOM  15975  N   ARG J 137      99.598 177.430  50.799  1.00 22.13           N  
-ATOM  15976  CA  ARG J 137      98.305 178.090  50.779  1.00 21.59           C  
-ATOM  15977  C   ARG J 137      97.285 177.174  50.088  1.00 20.73           C  
-ATOM  15978  O   ARG J 137      97.535 176.693  48.986  1.00 20.78           O  
-ATOM  15979  CB  ARG J 137      98.448 179.473  50.137  1.00 21.01           C  
-ATOM  15980  CG  ARG J 137      97.197 180.106  49.637  1.00 23.85           C  
-ATOM  15981  CD  ARG J 137      97.389 181.599  49.334  1.00 30.48           C  
-ATOM  15982  NE  ARG J 137      97.890 181.855  47.982  1.00 33.17           N  
-ATOM  15983  CZ  ARG J 137      99.183 181.884  47.668  1.00 36.44           C  
-ATOM  15984  NH1 ARG J 137     100.097 181.669  48.612  1.00 36.45           N  
-ATOM  15985  NH2 ARG J 137      99.566 182.125  46.417  1.00 36.63           N  
-ATOM  15986  N   ILE J 138      96.180 176.901  50.782  1.00 19.42           N  
-ATOM  15987  CA  ILE J 138      95.065 176.122  50.271  1.00 18.89           C  
-ATOM  15988  C   ILE J 138      93.859 177.044  49.997  1.00 18.48           C  
-ATOM  15989  O   ILE J 138      93.394 177.762  50.906  1.00 18.14           O  
-ATOM  15990  CB  ILE J 138      94.704 174.916  51.251  1.00 18.55           C  
-ATOM  15991  CG1 ILE J 138      95.877 173.927  51.317  1.00 16.08           C  
-ATOM  15992  CG2 ILE J 138      93.500 174.135  50.722  1.00 19.29           C  
-ATOM  15993  CD1 ILE J 138      95.804 172.807  52.432  1.00 17.30           C  
-ATOM  15994  N   LYS J 139      93.401 177.064  48.747  1.00 17.16           N  
-ATOM  15995  CA  LYS J 139      92.275 177.909  48.359  1.00 17.24           C  
-ATOM  15996  C   LYS J 139      90.994 177.105  48.187  1.00 17.17           C  
-ATOM  15997  O   LYS J 139      90.926 176.244  47.314  1.00 16.65           O  
-ATOM  15998  CB  LYS J 139      92.604 178.689  47.063  1.00 17.12           C  
-ATOM  15999  CG  LYS J 139      91.408 179.323  46.350  1.00 18.05           C  
-ATOM  16000  CD  LYS J 139      91.893 179.989  45.063  1.00 19.83           C  
-ATOM  16001  CE  LYS J 139      90.760 180.475  44.195  1.00 20.57           C  
-ATOM  16002  NZ  LYS J 139      91.319 180.917  42.860  1.00 23.86           N  
-ATOM  16003  N   ILE J 140      89.982 177.408  49.011  1.00 17.08           N  
-ATOM  16004  CA  ILE J 140      88.700 176.689  48.947  1.00 16.93           C  
-ATOM  16005  C   ILE J 140      87.515 177.619  48.727  1.00 16.48           C  
-ATOM  16006  O   ILE J 140      87.398 178.685  49.342  1.00 15.72           O  
-ATOM  16007  CB  ILE J 140      88.472 175.763  50.181  1.00 18.62           C  
-ATOM  16008  CG1 ILE J 140      89.642 174.774  50.294  1.00 19.96           C  
-ATOM  16009  CG2 ILE J 140      87.087 175.007  50.090  1.00 16.57           C  
-ATOM  16010  CD1 ILE J 140      89.306 173.393  51.055  1.00 27.74           C  
-ATOM  16011  N   GLY J 141      86.635 177.200  47.819  1.00 15.61           N  
-ATOM  16012  CA  GLY J 141      85.447 177.983  47.526  1.00 15.10           C  
-ATOM  16013  C   GLY J 141      84.413 177.144  46.823  1.00 14.78           C  
-ATOM  16014  O   GLY J 141      84.695 176.015  46.468  1.00 15.04           O  
-ATOM  16015  N   SER J 142      83.222 177.693  46.620  1.00 14.17           N  
-ATOM  16016  CA  SER J 142      82.191 176.980  45.886  1.00 13.92           C  
-ATOM  16017  C   SER J 142      82.640 176.876  44.431  1.00 13.62           C  
-ATOM  16018  O   SER J 142      83.099 177.854  43.841  1.00 13.17           O  
-ATOM  16019  CB  SER J 142      80.823 177.664  45.996  1.00 14.88           C  
-ATOM  16020  OG  SER J 142      79.917 177.236  44.983  1.00 14.29           O  
-ATOM  16021  N   TRP J 143      82.461 175.679  43.865  1.00 12.55           N  
-ATOM  16022  CA  TRP J 143      82.835 175.428  42.499  1.00 12.10           C  
-ATOM  16023  C   TRP J 143      81.900 176.126  41.488  1.00 12.19           C  
-ATOM  16024  O   TRP J 143      82.332 176.573  40.438  1.00 12.12           O  
-ATOM  16025  CB  TRP J 143      82.872 173.904  42.220  1.00 10.64           C  
-ATOM  16026  CG  TRP J 143      83.723 173.636  40.967  1.00 11.67           C  
-ATOM  16027  CD1 TRP J 143      83.318 173.087  39.779  1.00 14.76           C  
-ATOM  16028  CD2 TRP J 143      85.100 173.965  40.798  1.00  9.08           C  
-ATOM  16029  NE1 TRP J 143      84.365 173.051  38.886  1.00 11.21           N  
-ATOM  16030  CE2 TRP J 143      85.478 173.568  39.490  1.00 12.87           C  
-ATOM  16031  CE3 TRP J 143      86.070 174.520  41.633  1.00 10.60           C  
-ATOM  16032  CZ2 TRP J 143      86.793 173.780  38.966  1.00 14.19           C  
-ATOM  16033  CZ3 TRP J 143      87.387 174.710  41.121  1.00 15.15           C  
-ATOM  16034  CH2 TRP J 143      87.722 174.334  39.798  1.00 16.11           C  
-ATOM  16035  N   THR J 144      80.603 176.171  41.791  1.00 11.86           N  
-ATOM  16036  CA  THR J 144      79.626 176.595  40.792  1.00 11.28           C  
-ATOM  16037  C   THR J 144      78.680 177.655  41.261  1.00 11.30           C  
-ATOM  16038  O   THR J 144      77.851 178.093  40.460  1.00 11.42           O  
-ATOM  16039  CB  THR J 144      78.764 175.404  40.264  1.00 11.54           C  
-ATOM  16040  OG1 THR J 144      77.977 174.859  41.343  1.00 11.87           O  
-ATOM  16041  CG2 THR J 144      79.626 174.242  39.839  1.00 11.93           C  
-ATOM  16042  N   HIS J 145      78.773 178.093  42.522  1.00 11.28           N  
-ATOM  16043  CA  HIS J 145      77.867 179.128  43.022  1.00 10.95           C  
-ATOM  16044  C   HIS J 145      78.645 180.433  43.271  1.00 11.20           C  
-ATOM  16045  O   HIS J 145      79.606 180.462  44.077  1.00 11.34           O  
-ATOM  16046  CB  HIS J 145      77.190 178.699  44.335  1.00  9.82           C  
-ATOM  16047  CG  HIS J 145      76.217 177.572  44.209  1.00 10.81           C  
-ATOM  16048  ND1 HIS J 145      74.898 177.766  43.843  1.00  6.18           N  
-ATOM  16049  CD2 HIS J 145      76.356 176.236  44.452  1.00  7.46           C  
-ATOM  16050  CE1 HIS J 145      74.280 176.594  43.821  1.00 10.91           C  
-ATOM  16051  NE2 HIS J 145      75.135 175.655  44.205  1.00 10.86           N  
-ATOM  16052  N   HIS J 146      78.215 181.490  42.607  1.00 10.48           N  
-ATOM  16053  CA  HIS J 146      78.879 182.782  42.712  1.00 11.20           C  
-ATOM  16054  C   HIS J 146      78.520 183.526  44.006  1.00 11.53           C  
-ATOM  16055  O   HIS J 146      77.718 183.028  44.836  1.00 11.17           O  
-ATOM  16056  CB  HIS J 146      78.649 183.640  41.462  1.00 11.60           C  
-ATOM  16057  CG  HIS J 146      77.213 183.838  41.087  1.00 11.10           C  
-ATOM  16058  ND1 HIS J 146      76.276 184.339  41.960  1.00 12.06           N  
-ATOM  16059  CD2 HIS J 146      76.567 183.640  39.910  1.00  9.42           C  
-ATOM  16060  CE1 HIS J 146      75.111 184.445  41.335  1.00 11.97           C  
-ATOM  16061  NE2 HIS J 146      75.262 184.021  40.091  1.00  7.99           N  
-ATOM  16062  N   SER J 147      79.105 184.704  44.179  1.00 11.77           N  
-ATOM  16063  CA  SER J 147      78.997 185.432  45.442  1.00 11.83           C  
-ATOM  16064  C   SER J 147      77.562 185.767  45.880  1.00 11.89           C  
-ATOM  16065  O   SER J 147      77.304 185.942  47.055  1.00 12.55           O  
-ATOM  16066  CB  SER J 147      79.934 186.645  45.443  1.00 12.03           C  
-ATOM  16067  OG  SER J 147      79.416 187.746  44.718  1.00 10.10           O  
-ATOM  16068  N   ARG J 148      76.613 185.811  44.956  1.00 12.50           N  
-ATOM  16069  CA  ARG J 148      75.251 186.158  45.336  1.00 12.80           C  
-ATOM  16070  C   ARG J 148      74.487 184.917  45.775  1.00 12.75           C  
-ATOM  16071  O   ARG J 148      73.380 185.034  46.281  1.00 12.82           O  
-ATOM  16072  CB  ARG J 148      74.545 186.968  44.221  1.00 14.16           C  
-ATOM  16073  CG  ARG J 148      74.890 188.487  44.228  1.00 16.32           C  
-ATOM  16074  CD  ARG J 148      74.478 189.315  42.957  1.00 23.65           C  
-ATOM  16075  NE  ARG J 148      74.328 188.529  41.727  1.00 27.85           N  
-ATOM  16076  CZ  ARG J 148      73.155 188.141  41.203  1.00 31.87           C  
-ATOM  16077  NH1 ARG J 148      72.002 188.480  41.790  1.00 32.46           N  
-ATOM  16078  NH2 ARG J 148      73.130 187.405  40.090  1.00 31.41           N  
-ATOM  16079  N   GLU J 149      75.111 183.738  45.649  1.00 12.48           N  
-ATOM  16080  CA  GLU J 149      74.498 182.475  46.065  1.00 12.50           C  
-ATOM  16081  C   GLU J 149      75.226 181.828  47.226  1.00 12.41           C  
-ATOM  16082  O   GLU J 149      74.568 181.293  48.099  1.00 12.22           O  
-ATOM  16083  CB  GLU J 149      74.350 181.487  44.907  1.00 12.49           C  
-ATOM  16084  CG  GLU J 149      73.444 182.031  43.812  1.00 11.52           C  
-ATOM  16085  CD  GLU J 149      73.354 181.155  42.558  1.00 17.09           C  
-ATOM  16086  OE1 GLU J 149      73.902 179.988  42.516  1.00 13.19           O  
-ATOM  16087  OE2 GLU J 149      72.700 181.653  41.603  1.00 15.31           O  
-ATOM  16088  N   ILE J 150      76.557 181.882  47.256  1.00 12.39           N  
-ATOM  16089  CA  ILE J 150      77.321 181.366  48.392  1.00 13.24           C  
-ATOM  16090  C   ILE J 150      78.416 182.344  48.756  1.00 14.72           C  
-ATOM  16091  O   ILE J 150      79.205 182.729  47.909  1.00 15.31           O  
-ATOM  16092  CB  ILE J 150      77.940 179.935  48.082  1.00 14.04           C  
-ATOM  16093  CG1 ILE J 150      76.827 178.884  47.878  1.00 12.30           C  
-ATOM  16094  CG2 ILE J 150      79.029 179.531  49.102  1.00 13.36           C  
-ATOM  16095  CD1 ILE J 150      77.242 177.412  47.936  1.00 15.38           C  
-ATOM  16096  N   SER J 151      78.460 182.785  50.004  1.00 15.83           N  
-ATOM  16097  CA  SER J 151      79.679 183.408  50.480  1.00 17.88           C  
-ATOM  16098  C   SER J 151      80.439 182.491  51.400  1.00 19.08           C  
-ATOM  16099  O   SER J 151      79.855 181.707  52.138  1.00 19.57           O  
-ATOM  16100  CB  SER J 151      79.481 184.806  51.104  1.00 17.39           C  
-ATOM  16101  OG  SER J 151      78.238 184.965  51.697  1.00 18.27           O  
-ATOM  16102  N   VAL J 152      81.754 182.527  51.308  1.00 20.63           N  
-ATOM  16103  CA  VAL J 152      82.546 181.739  52.228  1.00 22.84           C  
-ATOM  16104  C   VAL J 152      83.281 182.642  53.181  1.00 24.40           C  
-ATOM  16105  O   VAL J 152      83.847 183.664  52.787  1.00 24.48           O  
-ATOM  16106  CB  VAL J 152      83.547 180.829  51.538  1.00 22.38           C  
-ATOM  16107  CG1 VAL J 152      82.822 179.622  50.892  1.00 24.77           C  
-ATOM  16108  CG2 VAL J 152      84.332 181.595  50.533  1.00 24.56           C  
-ATOM  16109  N   ASP J 153      83.236 182.262  54.444  1.00 25.62           N  
-ATOM  16110  CA  ASP J 153      83.950 182.986  55.467  1.00 27.73           C  
-ATOM  16111  C   ASP J 153      84.781 182.043  56.336  1.00 28.44           C  
-ATOM  16112  O   ASP J 153      84.414 180.870  56.563  1.00 26.18           O  
-ATOM  16113  CB  ASP J 153      82.985 183.839  56.275  1.00 27.82           C  
-ATOM  16114  CG  ASP J 153      82.668 185.163  55.574  1.00 31.18           C  
-ATOM  16115  OD1 ASP J 153      82.072 185.139  54.465  1.00 37.14           O  
-ATOM  16116  OD2 ASP J 153      82.981 186.272  56.042  1.00 31.86           O  
-ATOM  16117  N   PRO J 154      85.911 182.560  56.802  1.00 29.77           N  
-ATOM  16118  CA  PRO J 154      86.715 181.836  57.790  1.00 31.85           C  
-ATOM  16119  C   PRO J 154      85.890 181.656  59.069  1.00 33.56           C  
-ATOM  16120  O   PRO J 154      85.131 182.565  59.421  1.00 33.52           O  
-ATOM  16121  CB  PRO J 154      87.877 182.781  58.045  1.00 31.28           C  
-ATOM  16122  CG  PRO J 154      87.900 183.661  56.819  1.00 30.59           C  
-ATOM  16123  CD  PRO J 154      86.498 183.864  56.440  1.00 29.76           C  
-ATOM  16124  N   THR J 155      86.013 180.502  59.727  1.00 35.33           N  
-ATOM  16125  CA  THR J 155      85.357 180.275  61.025  1.00 36.99           C  
-ATOM  16126  C   THR J 155      85.607 181.353  62.055  1.00 38.07           C  
-ATOM  16127  O   THR J 155      86.730 181.833  62.243  1.00 37.81           O  
-ATOM  16128  CB  THR J 155      85.777 178.933  61.660  1.00 36.66           C  
-ATOM  16129  OG1 THR J 155      85.638 177.886  60.695  1.00 38.14           O  
-ATOM  16130  CG2 THR J 155      84.790 178.524  62.764  1.00 35.96           C  
-ATOM  16131  N   THR J 156      84.513 181.702  62.719  1.00 40.17           N  
-ATOM  16132  CA  THR J 156      84.512 182.397  63.995  1.00 41.88           C  
-ATOM  16133  C   THR J 156      85.085 181.436  65.033  1.00 43.20           C  
-ATOM  16134  O   THR J 156      84.329 180.811  65.787  1.00 44.12           O  
-ATOM  16135  CB  THR J 156      83.060 182.694  64.386  1.00 41.98           C  
-ATOM  16136  OG1 THR J 156      82.240 182.780  63.206  1.00 40.82           O  
-ATOM  16137  CG2 THR J 156      82.950 184.038  65.051  1.00 41.28           C  
-ATOM  16138  N   GLU J 157      86.405 181.297  65.072  1.00 44.23           N  
-ATOM  16139  CA  GLU J 157      87.007 180.384  66.029  1.00 45.70           C  
-ATOM  16140  C   GLU J 157      88.404 180.840  66.423  1.00 46.29           C  
-ATOM  16141  O   GLU J 157      89.363 180.737  65.645  1.00 46.06           O  
-ATOM  16142  CB  GLU J 157      86.980 178.912  65.530  1.00 46.32           C  
-ATOM  16143  CG  GLU J 157      86.116 177.969  66.396  1.00 47.62           C  
-ATOM  16144  CD  GLU J 157      85.781 176.608  65.751  1.00 49.54           C  
-ATOM  16145  OE1 GLU J 157      86.667 175.968  65.107  1.00 48.80           O  
-ATOM  16146  OE2 GLU J 157      84.616 176.162  65.924  1.00 48.31           O  
-ATOM  16147  N   ASN J 158      88.495 181.369  67.646  1.00 46.95           N  
-ATOM  16148  CA  ASN J 158      89.772 181.732  68.249  1.00 47.47           C  
-ATOM  16149  C   ASN J 158      90.540 180.441  68.611  1.00 47.58           C  
-ATOM  16150  O   ASN J 158      91.358 180.405  69.534  1.00 47.62           O  
-ATOM  16151  CB  ASN J 158      89.544 182.669  69.456  1.00 47.83           C  
-ATOM  16152  CG  ASN J 158      89.045 184.086  69.044  1.00 48.53           C  
-ATOM  16153  OD1 ASN J 158      88.650 184.324  67.887  1.00 47.82           O  
-ATOM  16154  ND2 ASN J 158      89.065 185.024  70.004  1.00 46.82           N  
-ATOM  16155  N   SER J 159      90.280 179.396  67.818  1.00 47.71           N  
-ATOM  16156  CA  SER J 159      90.693 178.023  68.110  1.00 47.29           C  
-ATOM  16157  C   SER J 159      92.129 177.741  67.696  1.00 46.90           C  
-ATOM  16158  O   SER J 159      92.533 178.057  66.578  1.00 46.44           O  
-ATOM  16159  CB  SER J 159      89.727 177.041  67.438  1.00 47.48           C  
-ATOM  16160  OG  SER J 159      88.409 177.223  67.948  1.00 47.27           O  
-ATOM  16161  N   ASP J 160      92.877 177.132  68.618  1.00 46.66           N  
-ATOM  16162  CA  ASP J 160      94.316 176.877  68.472  1.00 46.25           C  
-ATOM  16163  C   ASP J 160      94.694 176.096  67.202  1.00 45.53           C  
-ATOM  16164  O   ASP J 160      93.919 175.234  66.708  1.00 44.87           O  
-ATOM  16165  CB  ASP J 160      94.863 176.196  69.738  1.00 46.99           C  
-ATOM  16166  CG  ASP J 160      96.391 176.243  69.839  1.00 48.35           C  
-ATOM  16167  OD1 ASP J 160      97.014 177.175  69.265  1.00 50.17           O  
-ATOM  16168  OD2 ASP J 160      97.046 175.381  70.486  1.00 48.66           O  
-ATOM  16169  N   ASP J 161      95.887 176.434  66.685  1.00 44.23           N  
-ATOM  16170  CA  ASP J 161      96.350 176.024  65.349  1.00 43.15           C  
-ATOM  16171  C   ASP J 161      96.673 174.528  65.253  1.00 42.07           C  
-ATOM  16172  O   ASP J 161      95.996 173.775  64.572  1.00 41.31           O  
-ATOM  16173  CB  ASP J 161      97.575 176.858  64.936  1.00 43.15           C  
-ATOM  16174  CG  ASP J 161      97.206 178.265  64.455  1.00 43.31           C  
-ATOM  16175  OD1 ASP J 161      96.005 178.530  64.173  1.00 42.92           O  
-ATOM  16176  OD2 ASP J 161      98.064 179.171  64.325  1.00 42.04           O  
-ATOM  16177  N   SER J 162      97.724 174.128  65.958  1.00 41.10           N  
-ATOM  16178  CA  SER J 162      98.117 172.725  66.093  1.00 39.65           C  
-ATOM  16179  C   SER J 162      97.419 172.006  67.284  1.00 38.07           C  
-ATOM  16180  O   SER J 162      98.041 171.179  67.979  1.00 37.89           O  
-ATOM  16181  CB  SER J 162      99.666 172.652  66.196  1.00 39.75           C  
-ATOM  16182  OG  SER J 162     100.126 172.737  67.526  1.00 38.75           O  
-ATOM  16183  N   GLU J 163      96.140 172.332  67.518  1.00 35.76           N  
-ATOM  16184  CA  GLU J 163      95.409 171.827  68.691  1.00 33.60           C  
-ATOM  16185  C   GLU J 163      95.188 170.316  68.538  1.00 31.03           C  
-ATOM  16186  O   GLU J 163      95.390 169.530  69.485  1.00 31.03           O  
-ATOM  16187  CB  GLU J 163      94.096 172.620  68.915  1.00 33.98           C  
-ATOM  16188  CG  GLU J 163      93.058 172.002  69.858  1.00 37.23           C  
-ATOM  16189  CD  GLU J 163      93.386 172.124  71.358  1.00 42.81           C  
-ATOM  16190  OE1 GLU J 163      94.400 172.788  71.730  1.00 44.95           O  
-ATOM  16191  OE2 GLU J 163      92.617 171.553  72.186  1.00 42.57           O  
-ATOM  16192  N   TYR J 164      94.834 169.918  67.324  1.00 27.38           N  
-ATOM  16193  CA  TYR J 164      94.606 168.515  67.022  1.00 24.58           C  
-ATOM  16194  C   TYR J 164      95.736 167.869  66.210  1.00 22.89           C  
-ATOM  16195  O   TYR J 164      95.700 166.678  65.919  1.00 22.25           O  
-ATOM  16196  CB  TYR J 164      93.213 168.341  66.401  1.00 23.79           C  
-ATOM  16197  CG  TYR J 164      92.151 168.920  67.324  1.00 23.87           C  
-ATOM  16198  CD1 TYR J 164      92.037 168.463  68.637  1.00 22.72           C  
-ATOM  16199  CD2 TYR J 164      91.322 169.980  66.909  1.00 23.76           C  
-ATOM  16200  CE1 TYR J 164      91.099 169.001  69.519  1.00 24.02           C  
-ATOM  16201  CE2 TYR J 164      90.361 170.526  67.779  1.00 22.50           C  
-ATOM  16202  CZ  TYR J 164      90.262 170.022  69.082  1.00 23.31           C  
-ATOM  16203  OH  TYR J 164      89.356 170.543  69.967  1.00 24.00           O  
-ATOM  16204  N   PHE J 165      96.761 168.653  65.893  1.00 21.67           N  
-ATOM  16205  CA  PHE J 165      97.826 168.179  65.031  1.00 19.88           C  
-ATOM  16206  C   PHE J 165      98.590 167.103  65.746  1.00 19.02           C  
-ATOM  16207  O   PHE J 165      98.867 167.220  66.931  1.00 18.73           O  
-ATOM  16208  CB  PHE J 165      98.772 169.303  64.649  1.00 19.63           C  
-ATOM  16209  CG  PHE J 165      99.713 168.945  63.534  1.00 18.71           C  
-ATOM  16210  CD1 PHE J 165      99.256 168.833  62.226  1.00 17.64           C  
-ATOM  16211  CD2 PHE J 165     101.053 168.729  63.799  1.00 17.32           C  
-ATOM  16212  CE1 PHE J 165     100.130 168.512  61.175  1.00 18.32           C  
-ATOM  16213  CE2 PHE J 165     101.940 168.407  62.759  1.00 17.63           C  
-ATOM  16214  CZ  PHE J 165     101.486 168.300  61.449  1.00 17.34           C  
-ATOM  16215  N   SER J 166      98.918 166.049  65.025  1.00 17.99           N  
-ATOM  16216  CA  SER J 166      99.600 164.898  65.600  1.00 17.49           C  
-ATOM  16217  C   SER J 166     100.990 165.241  66.133  1.00 17.07           C  
-ATOM  16218  O   SER J 166     101.788 165.858  65.440  1.00 16.04           O  
-ATOM  16219  CB  SER J 166      99.709 163.771  64.571  1.00 17.48           C  
-ATOM  16220  OG  SER J 166     100.507 162.728  65.084  1.00 17.37           O  
-ATOM  16221  N   GLN J 167     101.256 164.819  67.370  1.00 17.12           N  
-ATOM  16222  CA  GLN J 167     102.556 164.979  67.991  1.00 17.74           C  
-ATOM  16223  C   GLN J 167     103.586 163.996  67.420  1.00 17.53           C  
-ATOM  16224  O   GLN J 167     104.771 164.093  67.726  1.00 16.94           O  
-ATOM  16225  CB  GLN J 167     102.458 164.793  69.518  1.00 18.32           C  
-ATOM  16226  CG  GLN J 167     102.199 163.331  69.916  1.00 20.05           C  
-ATOM  16227  CD  GLN J 167     101.901 163.129  71.379  1.00 22.48           C  
-ATOM  16228  OE1 GLN J 167     102.809 163.134  72.196  1.00 22.78           O  
-ATOM  16229  NE2 GLN J 167     100.624 162.923  71.710  1.00 22.16           N  
-ATOM  16230  N   TYR J 168     103.128 163.066  66.592  1.00 17.59           N  
-ATOM  16231  CA  TYR J 168     104.001 162.066  65.976  1.00 17.34           C  
-ATOM  16232  C   TYR J 168     104.419 162.410  64.565  1.00 17.02           C  
-ATOM  16233  O   TYR J 168     105.295 161.758  64.002  1.00 17.29           O  
-ATOM  16234  CB  TYR J 168     103.354 160.680  66.057  1.00 17.52           C  
-ATOM  16235  CG  TYR J 168     103.038 160.326  67.483  1.00 17.36           C  
-ATOM  16236  CD1 TYR J 168     104.050 160.278  68.432  1.00 17.22           C  
-ATOM  16237  CD2 TYR J 168     101.718 160.101  67.901  1.00 17.29           C  
-ATOM  16238  CE1 TYR J 168     103.770 159.992  69.768  1.00 17.97           C  
-ATOM  16239  CE2 TYR J 168     101.428 159.807  69.233  1.00 16.79           C  
-ATOM  16240  CZ  TYR J 168     102.463 159.755  70.156  1.00 17.73           C  
-ATOM  16241  OH  TYR J 168     102.201 159.459  71.478  1.00 19.12           O  
-ATOM  16242  N   SER J 169     103.818 163.449  64.005  1.00 16.15           N  
-ATOM  16243  CA  SER J 169     104.254 163.968  62.724  1.00 16.00           C  
-ATOM  16244  C   SER J 169     105.730 164.335  62.686  1.00 16.35           C  
-ATOM  16245  O   SER J 169     106.348 164.654  63.699  1.00 15.80           O  
-ATOM  16246  CB  SER J 169     103.426 165.193  62.363  1.00 16.09           C  
-ATOM  16247  OG  SER J 169     103.713 165.623  61.052  1.00 16.28           O  
-ATOM  16248  N   ARG J 170     106.308 164.281  61.491  1.00 16.88           N  
-ATOM  16249  CA  ARG J 170     107.697 164.658  61.281  1.00 16.77           C  
-ATOM  16250  C   ARG J 170     107.726 166.165  61.209  1.00 15.91           C  
-ATOM  16251  O   ARG J 170     108.792 166.770  61.129  1.00 15.33           O  
-ATOM  16252  CB  ARG J 170     108.129 164.135  59.912  1.00 17.36           C  
-ATOM  16253  CG  ARG J 170     109.052 162.967  59.956  1.00 20.40           C  
-ATOM  16254  CD  ARG J 170     109.503 162.546  58.572  1.00 23.77           C  
-ATOM  16255  NE  ARG J 170     108.353 162.462  57.677  1.00 26.69           N  
-ATOM  16256  CZ  ARG J 170     108.424 162.417  56.343  1.00 27.58           C  
-ATOM  16257  NH1 ARG J 170     109.617 162.457  55.736  1.00 25.30           N  
-ATOM  16258  NH2 ARG J 170     107.294 162.334  55.633  1.00 24.99           N  
-ATOM  16259  N   PHE J 171     106.532 166.750  61.227  1.00 14.52           N  
-ATOM  16260  CA  PHE J 171     106.345 168.152  60.953  1.00 14.39           C  
-ATOM  16261  C   PHE J 171     105.764 168.832  62.145  1.00 14.40           C  
-ATOM  16262  O   PHE J 171     105.178 168.182  62.975  1.00 13.29           O  
-ATOM  16263  CB  PHE J 171     105.405 168.317  59.758  1.00 14.63           C  
-ATOM  16264  CG  PHE J 171     105.970 167.780  58.467  1.00 13.55           C  
-ATOM  16265  CD1 PHE J 171     105.783 166.451  58.111  1.00 12.77           C  
-ATOM  16266  CD2 PHE J 171     106.685 168.611  57.621  1.00 11.93           C  
-ATOM  16267  CE1 PHE J 171     106.318 165.947  56.920  1.00 14.25           C  
-ATOM  16268  CE2 PHE J 171     107.216 168.147  56.440  1.00 14.59           C  
-ATOM  16269  CZ  PHE J 171     107.031 166.796  56.079  1.00 18.25           C  
-ATOM  16270  N   GLU J 172     105.938 170.150  62.229  1.00 15.86           N  
-ATOM  16271  CA  GLU J 172     105.268 170.956  63.244  1.00 16.95           C  
-ATOM  16272  C   GLU J 172     104.689 172.188  62.587  1.00 17.25           C  
-ATOM  16273  O   GLU J 172     105.254 172.695  61.616  1.00 17.11           O  
-ATOM  16274  CB  GLU J 172     106.213 171.349  64.392  1.00 17.28           C  
-ATOM  16275  CG  GLU J 172     107.432 172.151  63.977  1.00 18.84           C  
-ATOM  16276  CD  GLU J 172     108.375 172.415  65.131  1.00 22.72           C  
-ATOM  16277  OE1 GLU J 172     107.930 172.319  66.301  1.00 25.39           O  
-ATOM  16278  OE2 GLU J 172     109.565 172.735  64.883  1.00 22.93           O  
-ATOM  16279  N   ILE J 173     103.555 172.647  63.117  1.00 17.54           N  
-ATOM  16280  CA  ILE J 173     102.854 173.809  62.571  1.00 18.20           C  
-ATOM  16281  C   ILE J 173     103.263 175.057  63.340  1.00 18.51           C  
-ATOM  16282  O   ILE J 173     103.211 175.098  64.574  1.00 18.34           O  
-ATOM  16283  CB  ILE J 173     101.326 173.601  62.614  1.00 18.17           C  
-ATOM  16284  CG1 ILE J 173     100.938 172.491  61.639  1.00 18.66           C  
-ATOM  16285  CG2 ILE J 173     100.576 174.912  62.323  1.00 18.29           C  
-ATOM  16286  CD1 ILE J 173      99.472 172.111  61.682  1.00 20.47           C  
-ATOM  16287  N   LEU J 174     103.671 176.076  62.598  1.00 19.00           N  
-ATOM  16288  CA  LEU J 174     104.083 177.333  63.212  1.00 19.52           C  
-ATOM  16289  C   LEU J 174     102.901 178.281  63.322  1.00 19.93           C  
-ATOM  16290  O   LEU J 174     102.754 178.986  64.343  1.00 19.93           O  
-ATOM  16291  CB  LEU J 174     105.246 177.972  62.445  1.00 19.32           C  
-ATOM  16292  CG  LEU J 174     106.467 177.056  62.270  1.00 19.62           C  
-ATOM  16293  CD1 LEU J 174     107.476 177.684  61.310  1.00 19.81           C  
-ATOM  16294  CD2 LEU J 174     107.094 176.781  63.621  1.00 18.99           C  
-ATOM  16295  N   ASP J 175     102.058 178.280  62.291  1.00 20.19           N  
-ATOM  16296  CA  ASP J 175     100.957 179.234  62.176  1.00 21.14           C  
-ATOM  16297  C   ASP J 175      99.971 178.825  61.099  1.00 21.15           C  
-ATOM  16298  O   ASP J 175     100.351 178.257  60.078  1.00 20.82           O  
-ATOM  16299  CB  ASP J 175     101.484 180.639  61.852  1.00 21.88           C  
-ATOM  16300  CG  ASP J 175     100.685 181.738  62.526  1.00 24.23           C  
-ATOM  16301  OD1 ASP J 175      99.557 181.471  62.999  1.00 26.35           O  
-ATOM  16302  OD2 ASP J 175     101.104 182.912  62.633  1.00 27.92           O  
-ATOM  16303  N   VAL J 176      98.693 179.106  61.346  1.00 21.61           N  
-ATOM  16304  CA  VAL J 176      97.649 178.956  60.341  1.00 21.98           C  
-ATOM  16305  C   VAL J 176      96.888 180.269  60.271  1.00 22.81           C  
-ATOM  16306  O   VAL J 176      96.332 180.690  61.276  1.00 22.98           O  
-ATOM  16307  CB  VAL J 176      96.668 177.816  60.702  1.00 21.92           C  
-ATOM  16308  CG1 VAL J 176      95.625 177.633  59.618  1.00 21.07           C  
-ATOM  16309  CG2 VAL J 176      97.399 176.503  60.902  1.00 21.27           C  
-ATOM  16310  N   THR J 177      96.878 180.921  59.106  1.00 23.42           N  
-ATOM  16311  CA  THR J 177      96.049 182.126  58.897  1.00 24.12           C  
-ATOM  16312  C   THR J 177      95.063 181.910  57.743  1.00 24.22           C  
-ATOM  16313  O   THR J 177      95.320 181.125  56.830  1.00 23.70           O  
-ATOM  16314  CB  THR J 177      96.901 183.372  58.614  1.00 24.25           C  
-ATOM  16315  OG1 THR J 177      97.790 183.084  57.533  1.00 25.54           O  
-ATOM  16316  CG2 THR J 177      97.820 183.724  59.802  1.00 24.84           C  
-ATOM  16317  N   GLN J 178      93.927 182.591  57.807  1.00 25.68           N  
-ATOM  16318  CA  GLN J 178      92.871 182.468  56.804  1.00 26.85           C  
-ATOM  16319  C   GLN J 178      92.632 183.842  56.101  1.00 27.08           C  
-ATOM  16320  O   GLN J 178      92.463 184.855  56.777  1.00 27.38           O  
-ATOM  16321  CB  GLN J 178      91.563 181.931  57.453  1.00 28.03           C  
-ATOM  16322  CG  GLN J 178      91.671 180.692  58.453  1.00 30.90           C  
-ATOM  16323  CD  GLN J 178      90.754 179.431  58.099  1.00 36.63           C  
-ATOM  16324  OE1 GLN J 178      89.649 179.553  57.519  1.00 35.73           O  
-ATOM  16325  NE2 GLN J 178      91.229 178.231  58.489  1.00 37.10           N  
-ATOM  16326  N   LYS J 179      92.643 183.881  54.761  1.00 26.97           N  
-ATOM  16327  CA  LYS J 179      92.249 185.091  53.980  1.00 26.93           C  
-ATOM  16328  C   LYS J 179      91.099 184.864  52.971  1.00 26.23           C  
-ATOM  16329  O   LYS J 179      91.243 184.056  52.066  1.00 26.82           O  
-ATOM  16330  CB  LYS J 179      93.442 185.682  53.213  1.00 26.39           C  
-ATOM  16331  CG  LYS J 179      93.115 186.988  52.488  1.00 27.48           C  
-ATOM  16332  CD  LYS J 179      94.319 187.908  52.409  1.00 29.24           C  
-ATOM  16333  CE  LYS J 179      94.612 188.362  50.963  1.00 31.13           C  
-ATOM  16334  NZ  LYS J 179      93.452 188.193  50.026  1.00 27.75           N  
-ATOM  16335  N   LYS J 180      90.000 185.606  53.075  1.00 25.77           N  
-ATOM  16336  CA  LYS J 180      88.928 185.456  52.086  1.00 26.28           C  
-ATOM  16337  C   LYS J 180      89.029 186.363  50.834  1.00 25.69           C  
-ATOM  16338  O   LYS J 180      89.359 187.531  50.938  1.00 25.71           O  
-ATOM  16339  CB  LYS J 180      87.531 185.453  52.746  1.00 26.02           C  
-ATOM  16340  CG  LYS J 180      86.994 186.770  53.195  1.00 27.63           C  
-ATOM  16341  CD  LYS J 180      85.458 186.760  53.264  1.00 29.24           C  
-ATOM  16342  CE  LYS J 180      84.838 186.604  51.872  1.00 29.06           C  
-ATOM  16343  NZ  LYS J 180      83.382 186.402  52.005  1.00 28.18           N  
-ATOM  16344  N   ASN J 181      88.772 185.784  49.658  1.00 25.39           N  
-ATOM  16345  CA  ASN J 181      88.896 186.469  48.354  1.00 25.12           C  
-ATOM  16346  C   ASN J 181      87.645 186.371  47.496  1.00 24.39           C  
-ATOM  16347  O   ASN J 181      86.757 185.531  47.730  1.00 24.68           O  
-ATOM  16348  CB  ASN J 181      90.033 185.897  47.482  1.00 24.95           C  
-ATOM  16349  CG  ASN J 181      91.377 185.984  48.123  1.00 25.92           C  
-ATOM  16350  OD1 ASN J 181      92.039 187.005  48.036  1.00 28.92           O  
-ATOM  16351  ND2 ASN J 181      91.819 184.891  48.744  1.00 27.76           N  
-ATOM  16352  N   SER J 182      87.651 187.202  46.460  1.00 23.60           N  
-ATOM  16353  CA  SER J 182      86.564 187.358  45.512  1.00 23.17           C  
-ATOM  16354  C   SER J 182      87.115 187.366  44.086  1.00 22.48           C  
-ATOM  16355  O   SER J 182      87.617 188.392  43.600  1.00 22.90           O  
-ATOM  16356  CB  SER J 182      85.848 188.678  45.775  1.00 23.24           C  
-ATOM  16357  OG  SER J 182      84.567 188.637  45.208  1.00 23.76           O  
-ATOM  16358  N   VAL J 183      87.014 186.223  43.412  1.00 21.61           N  
-ATOM  16359  CA  VAL J 183      87.613 186.059  42.091  1.00 19.92           C  
-ATOM  16360  C   VAL J 183      86.597 185.917  40.948  1.00 19.45           C  
-ATOM  16361  O   VAL J 183      85.638 185.133  41.011  1.00 19.12           O  
-ATOM  16362  CB  VAL J 183      88.674 184.940  42.064  1.00 19.95           C  
-ATOM  16363  CG1 VAL J 183      89.438 184.916  40.712  1.00 19.37           C  
-ATOM  16364  CG2 VAL J 183      89.665 185.126  43.205  1.00 19.08           C  
-ATOM  16365  N   THR J 184      86.871 186.687  39.906  1.00 18.56           N  
-ATOM  16366  CA  THR J 184      86.175 186.659  38.637  1.00 18.00           C  
-ATOM  16367  C   THR J 184      86.995 185.890  37.594  1.00 18.51           C  
-ATOM  16368  O   THR J 184      88.145 186.259  37.268  1.00 17.43           O  
-ATOM  16369  CB  THR J 184      85.949 188.116  38.189  1.00 17.23           C  
-ATOM  16370  OG1 THR J 184      85.223 188.787  39.227  1.00 15.89           O  
-ATOM  16371  CG2 THR J 184      85.021 188.185  36.997  1.00 15.33           C  
-ATOM  16372  N   TYR J 185      86.378 184.819  37.087  1.00 18.73           N  
-ATOM  16373  CA  TYR J 185      87.023 183.878  36.170  1.00 18.69           C  
-ATOM  16374  C   TYR J 185      86.658 184.164  34.718  1.00 18.39           C  
-ATOM  16375  O   TYR J 185      85.614 184.723  34.437  1.00 18.08           O  
-ATOM  16376  CB  TYR J 185      86.687 182.414  36.564  1.00 18.29           C  
-ATOM  16377  CG  TYR J 185      87.236 182.113  37.922  1.00 19.09           C  
-ATOM  16378  CD1 TYR J 185      88.565 181.739  38.086  1.00 19.35           C  
-ATOM  16379  CD2 TYR J 185      86.449 182.286  39.062  1.00 20.25           C  
-ATOM  16380  CE1 TYR J 185      89.088 181.503  39.363  1.00 20.46           C  
-ATOM  16381  CE2 TYR J 185      86.957 182.065  40.336  1.00 19.20           C  
-ATOM  16382  CZ  TYR J 185      88.271 181.671  40.480  1.00 20.94           C  
-ATOM  16383  OH  TYR J 185      88.770 181.484  41.743  1.00 22.67           O  
-ATOM  16384  N   SER J 186      87.523 183.739  33.807  1.00 18.78           N  
-ATOM  16385  CA  SER J 186      87.303 183.879  32.369  1.00 19.26           C  
-ATOM  16386  C   SER J 186      86.084 183.135  31.797  1.00 19.15           C  
-ATOM  16387  O   SER J 186      85.474 183.581  30.844  1.00 18.50           O  
-ATOM  16388  CB  SER J 186      88.575 183.488  31.640  1.00 19.01           C  
-ATOM  16389  OG  SER J 186      89.634 184.265  32.168  1.00 21.41           O  
-ATOM  16390  N   CYS J 187      85.729 182.002  32.372  1.00 19.67           N  
-ATOM  16391  CA  CYS J 187      84.530 181.309  31.931  1.00 21.39           C  
-ATOM  16392  C   CYS J 187      83.253 182.165  32.091  1.00 21.75           C  
-ATOM  16393  O   CYS J 187      82.373 182.145  31.235  1.00 22.32           O  
-ATOM  16394  CB  CYS J 187      84.374 180.003  32.717  1.00 21.70           C  
-ATOM  16395  SG  CYS J 187      84.038 180.273  34.473  1.00 22.21           S  
-ATOM  16396  N   CYS J 188      83.173 182.919  33.190  1.00 21.99           N  
-ATOM  16397  CA  CYS J 188      81.906 183.417  33.709  1.00 21.67           C  
-ATOM  16398  C   CYS J 188      82.010 184.891  34.193  1.00 21.19           C  
-ATOM  16399  O   CYS J 188      83.064 185.314  34.640  1.00 21.18           O  
-ATOM  16400  CB  CYS J 188      81.450 182.482  34.836  1.00 22.43           C  
-ATOM  16401  SG  CYS J 188      82.029 180.728  34.743  1.00 24.86           S  
-ATOM  16402  N   PRO J 189      80.934 185.678  34.098  1.00 20.66           N  
-ATOM  16403  CA  PRO J 189      81.008 187.117  34.417  1.00 20.48           C  
-ATOM  16404  C   PRO J 189      80.880 187.485  35.930  1.00 20.49           C  
-ATOM  16405  O   PRO J 189      81.131 188.646  36.290  1.00 20.29           O  
-ATOM  16406  CB  PRO J 189      79.825 187.688  33.624  1.00 20.47           C  
-ATOM  16407  CG  PRO J 189      78.779 186.548  33.700  1.00 20.82           C  
-ATOM  16408  CD  PRO J 189      79.579 185.281  33.654  1.00 20.02           C  
-ATOM  16409  N   GLU J 190      80.519 186.526  36.781  1.00 19.73           N  
-ATOM  16410  CA  GLU J 190      80.248 186.805  38.189  1.00 20.12           C  
-ATOM  16411  C   GLU J 190      81.443 186.455  39.076  1.00 19.62           C  
-ATOM  16412  O   GLU J 190      82.255 185.604  38.692  1.00 21.02           O  
-ATOM  16413  CB  GLU J 190      79.033 186.008  38.662  1.00 20.24           C  
-ATOM  16414  CG  GLU J 190      77.672 186.555  38.275  1.00 22.34           C  
-ATOM  16415  CD  GLU J 190      77.228 187.739  39.126  1.00 28.24           C  
-ATOM  16416  OE1 GLU J 190      77.759 187.954  40.250  1.00 30.65           O  
-ATOM  16417  OE2 GLU J 190      76.328 188.468  38.661  1.00 30.47           O  
-ATOM  16418  N   ALA J 191      81.532 187.078  40.262  1.00 17.63           N  
-ATOM  16419  CA  ALA J 191      82.623 186.835  41.218  1.00 16.66           C  
-ATOM  16420  C   ALA J 191      82.346 185.641  42.124  1.00 15.99           C  
-ATOM  16421  O   ALA J 191      81.199 185.442  42.551  1.00 15.17           O  
-ATOM  16422  CB  ALA J 191      82.877 188.080  42.068  1.00 16.61           C  
-ATOM  16423  N   TYR J 192      83.395 184.875  42.421  1.00 15.72           N  
-ATOM  16424  CA  TYR J 192      83.293 183.664  43.249  1.00 16.32           C  
-ATOM  16425  C   TYR J 192      84.145 183.851  44.475  1.00 16.85           C  
-ATOM  16426  O   TYR J 192      85.295 184.310  44.375  1.00 16.92           O  
-ATOM  16427  CB  TYR J 192      83.774 182.416  42.495  1.00 15.48           C  
-ATOM  16428  CG  TYR J 192      82.853 182.045  41.368  1.00 15.86           C  
-ATOM  16429  CD1 TYR J 192      82.946 182.694  40.122  1.00 15.94           C  
-ATOM  16430  CD2 TYR J 192      81.875 181.058  41.535  1.00 15.12           C  
-ATOM  16431  CE1 TYR J 192      82.075 182.357  39.094  1.00 16.64           C  
-ATOM  16432  CE2 TYR J 192      81.010 180.720  40.509  1.00 15.81           C  
-ATOM  16433  CZ  TYR J 192      81.112 181.360  39.311  1.00 16.30           C  
-ATOM  16434  OH  TYR J 192      80.226 180.994  38.344  1.00 18.08           O  
-ATOM  16435  N   GLU J 193      83.597 183.483  45.627  1.00 17.10           N  
-ATOM  16436  CA  GLU J 193      84.316 183.689  46.871  1.00 18.07           C  
-ATOM  16437  C   GLU J 193      85.163 182.469  47.233  1.00 18.63           C  
-ATOM  16438  O   GLU J 193      84.788 181.324  46.952  1.00 18.01           O  
-ATOM  16439  CB  GLU J 193      83.366 184.069  48.004  1.00 18.17           C  
-ATOM  16440  CG  GLU J 193      82.735 185.456  47.809  1.00 18.42           C  
-ATOM  16441  CD  GLU J 193      82.001 185.976  49.040  1.00 19.98           C  
-ATOM  16442  OE1 GLU J 193      82.106 185.354  50.111  1.00 20.03           O  
-ATOM  16443  OE2 GLU J 193      81.341 187.055  48.943  1.00 21.70           O  
-ATOM  16444  N   ASP J 194      86.329 182.741  47.805  1.00 19.09           N  
-ATOM  16445  CA  ASP J 194      87.161 181.691  48.329  1.00 20.38           C  
-ATOM  16446  C   ASP J 194      87.774 182.081  49.665  1.00 19.92           C  
-ATOM  16447  O   ASP J 194      87.877 183.271  49.987  1.00 19.69           O  
-ATOM  16448  CB  ASP J 194      88.233 181.301  47.325  1.00 20.61           C  
-ATOM  16449  CG  ASP J 194      89.294 182.381  47.133  1.00 24.83           C  
-ATOM  16450  OD1 ASP J 194      90.108 182.658  48.054  1.00 27.86           O  
-ATOM  16451  OD2 ASP J 194      89.410 183.014  46.059  1.00 29.08           O  
-ATOM  16452  N   VAL J 195      88.149 181.079  50.443  1.00 19.50           N  
-ATOM  16453  CA  VAL J 195      89.016 181.285  51.586  1.00 19.82           C  
-ATOM  16454  C   VAL J 195      90.383 180.690  51.250  1.00 19.37           C  
-ATOM  16455  O   VAL J 195      90.474 179.557  50.758  1.00 18.95           O  
-ATOM  16456  CB  VAL J 195      88.423 180.655  52.887  1.00 20.05           C  
-ATOM  16457  CG1 VAL J 195      89.417 180.739  54.038  1.00 21.00           C  
-ATOM  16458  CG2 VAL J 195      87.160 181.383  53.281  1.00 20.88           C  
-ATOM  16459  N   GLU J 196      91.435 181.476  51.480  1.00 19.07           N  
-ATOM  16460  CA  GLU J 196      92.806 180.978  51.391  1.00 19.16           C  
-ATOM  16461  C   GLU J 196      93.341 180.670  52.785  1.00 18.68           C  
-ATOM  16462  O   GLU J 196      93.411 181.541  53.653  1.00 18.66           O  
-ATOM  16463  CB  GLU J 196      93.718 181.972  50.672  1.00 19.36           C  
-ATOM  16464  CG  GLU J 196      93.631 181.842  49.158  1.00 23.46           C  
-ATOM  16465  CD  GLU J 196      94.309 182.964  48.383  1.00 27.74           C  
-ATOM  16466  OE1 GLU J 196      94.928 183.876  49.011  1.00 28.58           O  
-ATOM  16467  OE2 GLU J 196      94.213 182.920  47.130  1.00 28.35           O  
-ATOM  16468  N   VAL J 197      93.679 179.408  53.006  1.00 18.32           N  
-ATOM  16469  CA  VAL J 197      94.229 178.964  54.271  1.00 17.79           C  
-ATOM  16470  C   VAL J 197      95.729 178.786  54.120  1.00 17.76           C  
-ATOM  16471  O   VAL J 197      96.196 177.898  53.363  1.00 17.40           O  
-ATOM  16472  CB  VAL J 197      93.558 177.663  54.739  1.00 18.19           C  
-ATOM  16473  CG1 VAL J 197      94.184 177.137  56.049  1.00 17.65           C  
-ATOM  16474  CG2 VAL J 197      92.032 177.889  54.948  1.00 18.20           C  
-ATOM  16475  N   SER J 198      96.476 179.616  54.837  1.00 17.14           N  
-ATOM  16476  CA  SER J 198      97.916 179.556  54.806  1.00 17.38           C  
-ATOM  16477  C   SER J 198      98.452 178.718  55.976  1.00 17.35           C  
-ATOM  16478  O   SER J 198      98.331 179.084  57.132  1.00 17.05           O  
-ATOM  16479  CB  SER J 198      98.496 180.971  54.801  1.00 17.87           C  
-ATOM  16480  OG  SER J 198      98.231 181.573  53.552  1.00 19.47           O  
-ATOM  16481  N   LEU J 199      99.054 177.579  55.640  1.00 17.29           N  
-ATOM  16482  CA  LEU J 199      99.658 176.694  56.614  1.00 16.89           C  
-ATOM  16483  C   LEU J 199     101.164 176.923  56.669  1.00 16.42           C  
-ATOM  16484  O   LEU J 199     101.867 176.588  55.733  1.00 16.61           O  
-ATOM  16485  CB  LEU J 199      99.334 175.244  56.224  1.00 17.20           C  
-ATOM  16486  CG  LEU J 199     100.064 174.107  56.965  1.00 18.25           C  
-ATOM  16487  CD1 LEU J 199      99.638 174.068  58.424  1.00 18.60           C  
-ATOM  16488  CD2 LEU J 199      99.738 172.809  56.273  1.00 19.04           C  
-ATOM  16489  N   ASN J 200     101.649 177.480  57.779  1.00 16.22           N  
-ATOM  16490  CA  ASN J 200     103.089 177.728  57.982  1.00 16.01           C  
-ATOM  16491  C   ASN J 200     103.621 176.580  58.837  1.00 15.20           C  
-ATOM  16492  O   ASN J 200     103.250 176.438  60.005  1.00 14.99           O  
-ATOM  16493  CB  ASN J 200     103.334 179.110  58.621  1.00 15.76           C  
-ATOM  16494  CG  ASN J 200     104.826 179.448  58.821  1.00 17.26           C  
-ATOM  16495  OD1 ASN J 200     105.169 180.135  59.776  1.00 18.20           O  
-ATOM  16496  ND2 ASN J 200     105.703 179.007  57.911  1.00 18.51           N  
-ATOM  16497  N   PHE J 201     104.472 175.758  58.251  1.00 14.24           N  
-ATOM  16498  CA  PHE J 201     104.938 174.550  58.906  1.00 13.98           C  
-ATOM  16499  C   PHE J 201     106.393 174.245  58.555  1.00 13.38           C  
-ATOM  16500  O   PHE J 201     106.936 174.822  57.616  1.00 13.16           O  
-ATOM  16501  CB  PHE J 201     104.032 173.360  58.494  1.00 13.94           C  
-ATOM  16502  CG  PHE J 201     104.255 172.874  57.084  1.00 15.41           C  
-ATOM  16503  CD1 PHE J 201     103.793 173.605  56.000  1.00 15.70           C  
-ATOM  16504  CD2 PHE J 201     104.928 171.685  56.840  1.00 16.15           C  
-ATOM  16505  CE1 PHE J 201     103.991 173.153  54.693  1.00 16.33           C  
-ATOM  16506  CE2 PHE J 201     105.151 171.243  55.556  1.00 16.19           C  
-ATOM  16507  CZ  PHE J 201     104.680 171.987  54.476  1.00 16.59           C  
-ATOM  16508  N   ARG J 202     106.991 173.296  59.276  1.00 12.12           N  
-ATOM  16509  CA  ARG J 202     108.391 172.941  59.041  1.00 12.59           C  
-ATOM  16510  C   ARG J 202     108.678 171.515  59.530  1.00 13.15           C  
-ATOM  16511  O   ARG J 202     107.961 170.985  60.385  1.00 13.29           O  
-ATOM  16512  CB  ARG J 202     109.323 173.949  59.740  1.00 12.18           C  
-ATOM  16513  CG  ARG J 202     109.633 173.608  61.198  1.00 11.06           C  
-ATOM  16514  CD  ARG J 202     110.464 174.668  61.974  1.00 10.36           C  
-ATOM  16515  NE  ARG J 202     109.980 174.864  63.346  1.00  7.75           N  
-ATOM  16516  CZ  ARG J 202     110.636 175.540  64.308  1.00 11.79           C  
-ATOM  16517  NH1 ARG J 202     111.815 176.091  64.082  1.00 11.82           N  
-ATOM  16518  NH2 ARG J 202     110.125 175.636  65.523  1.00 10.72           N  
-ATOM  16519  N   LYS J 203     109.727 170.900  58.997  1.00 13.21           N  
-ATOM  16520  CA  LYS J 203     110.147 169.585  59.477  1.00 13.48           C  
-ATOM  16521  C   LYS J 203     110.747 169.712  60.853  1.00 13.40           C  
-ATOM  16522  O   LYS J 203     111.477 170.648  61.109  1.00 14.00           O  
-ATOM  16523  CB  LYS J 203     111.176 168.968  58.514  1.00 14.22           C  
-ATOM  16524  CG  LYS J 203     110.694 168.848  57.051  1.00 14.06           C  
-ATOM  16525  CD  LYS J 203     111.450 167.737  56.358  1.00 17.88           C  
-ATOM  16526  CE  LYS J 203     110.688 167.139  55.169  1.00 20.89           C  
-ATOM  16527  NZ  LYS J 203     111.568 167.066  53.960  1.00 20.83           N  
-ATOM  16528  N   LYS J 204     110.438 168.788  61.752  1.00 13.95           N  
-ATOM  16529  CA  LYS J 204     111.109 168.740  63.060  1.00 14.79           C  
-ATOM  16530  C   LYS J 204     112.576 168.298  62.916  1.00 14.78           C  
-ATOM  16531  O   LYS J 204     112.981 167.871  61.838  1.00 14.53           O  
-ATOM  16532  CB  LYS J 204     110.370 167.794  64.003  1.00 14.84           C  
-ATOM  16533  CG  LYS J 204     109.028 168.317  64.435  1.00 16.58           C  
-ATOM  16534  CD  LYS J 204     108.559 167.582  65.675  1.00 17.21           C  
-ATOM  16535  CE  LYS J 204     107.097 167.270  65.569  1.00 15.86           C  
-ATOM  16536  NZ  LYS J 204     106.743 166.248  66.596  1.00 18.22           N  
-ATOM  16537  N   GLY J 205     113.343 168.389  64.001  1.00 14.81           N  
-ATOM  16538  CA  GLY J 205     114.765 168.017  64.037  1.00 15.96           C  
-ATOM  16539  C   GLY J 205     115.187 166.663  63.479  1.00 15.66           C  
-ATOM  16540  O   GLY J 205     114.296 166.117  64.292  1.00 20.00           O  
-TER   16541      GLY J 205                                                      
-ATOM  16542  N   GLU K   0      55.997 -10.676  21.596  1.00 22.55           N  
-ATOM  16543  CA  GLU K   0      57.110 -10.275  20.680  1.00 23.23           C  
-ATOM  16544  C   GLU K   0      57.490  -8.789  20.806  1.00 22.96           C  
-ATOM  16545  O   GLU K   0      56.718  -7.917  20.409  1.00 23.41           O  
-ATOM  16546  CB  GLU K   0      56.751 -10.606  19.222  1.00 22.97           C  
-ATOM  16547  CG  GLU K   0      57.794 -10.176  18.187  1.00 24.02           C  
-ATOM  16548  CD  GLU K   0      57.710 -10.962  16.882  1.00 26.56           C  
-ATOM  16549  OE1 GLU K   0      56.642 -10.907  16.193  1.00 27.42           O  
-ATOM  16550  OE2 GLU K   0      58.709 -11.641  16.544  1.00 24.69           O  
-ATOM  16551  N   PHE K   1      58.680  -8.523  21.349  1.00 22.92           N  
-ATOM  16552  CA  PHE K   1      59.272  -7.187  21.381  1.00 22.49           C  
-ATOM  16553  C   PHE K   1      60.419  -7.145  20.396  1.00 21.87           C  
-ATOM  16554  O   PHE K   1      61.156  -8.123  20.250  1.00 22.03           O  
-ATOM  16555  CB  PHE K   1      59.858  -6.866  22.754  1.00 22.55           C  
-ATOM  16556  CG  PHE K   1      58.929  -7.134  23.896  1.00 24.62           C  
-ATOM  16557  CD1 PHE K   1      57.833  -6.291  24.142  1.00 26.17           C  
-ATOM  16558  CD2 PHE K   1      59.155  -8.227  24.740  1.00 25.86           C  
-ATOM  16559  CE1 PHE K   1      56.965  -6.533  25.209  1.00 27.94           C  
-ATOM  16560  CE2 PHE K   1      58.297  -8.488  25.815  1.00 26.91           C  
-ATOM  16561  CZ  PHE K   1      57.191  -7.638  26.050  1.00 28.28           C  
-ATOM  16562  N   ASP K   2      60.590  -6.013  19.730  1.00 21.01           N  
-ATOM  16563  CA  ASP K   2      61.825  -5.788  18.994  1.00 20.34           C  
-ATOM  16564  C   ASP K   2      62.758  -4.946  19.867  1.00 19.40           C  
-ATOM  16565  O   ASP K   2      62.362  -4.560  20.973  1.00 18.82           O  
-ATOM  16566  CB  ASP K   2      61.547  -5.173  17.612  1.00 20.76           C  
-ATOM  16567  CG  ASP K   2      60.929  -3.776  17.684  1.00 21.96           C  
-ATOM  16568  OD1 ASP K   2      60.971  -3.111  18.752  1.00 22.55           O  
-ATOM  16569  OD2 ASP K   2      60.378  -3.260  16.688  1.00 24.06           O  
-ATOM  16570  N   ARG K   3      63.975  -4.685  19.374  1.00 18.56           N  
-ATOM  16571  CA  ARG K   3      65.011  -3.991  20.136  1.00 17.90           C  
-ATOM  16572  C   ARG K   3      64.536  -2.619  20.561  1.00 17.33           C  
-ATOM  16573  O   ARG K   3      64.778  -2.198  21.699  1.00 17.36           O  
-ATOM  16574  CB  ARG K   3      66.285  -3.843  19.315  1.00 18.00           C  
-ATOM  16575  CG  ARG K   3      67.261  -4.961  19.499  1.00 18.90           C  
-ATOM  16576  CD  ARG K   3      68.292  -5.088  18.385  1.00 19.34           C  
-ATOM  16577  NE  ARG K   3      69.113  -6.276  18.603  1.00 22.25           N  
-ATOM  16578  CZ  ARG K   3      68.950  -7.453  17.995  1.00 25.78           C  
-ATOM  16579  NH1 ARG K   3      67.983  -7.632  17.086  1.00 27.27           N  
-ATOM  16580  NH2 ARG K   3      69.770  -8.460  18.286  1.00 26.10           N  
-ATOM  16581  N   ALA K   4      63.848  -1.937  19.644  1.00 16.35           N  
-ATOM  16582  CA  ALA K   4      63.274  -0.616  19.913  1.00 16.05           C  
-ATOM  16583  C   ALA K   4      62.328  -0.646  21.120  1.00 15.69           C  
-ATOM  16584  O   ALA K   4      62.440   0.213  22.003  1.00 15.17           O  
-ATOM  16585  CB  ALA K   4      62.577  -0.063  18.663  1.00 15.38           C  
-ATOM  16586  N   ASP K   5      61.445  -1.644  21.164  1.00 15.65           N  
-ATOM  16587  CA  ASP K   5      60.512  -1.831  22.292  1.00 16.57           C  
-ATOM  16588  C   ASP K   5      61.233  -2.112  23.592  1.00 15.83           C  
-ATOM  16589  O   ASP K   5      60.920  -1.509  24.618  1.00 15.93           O  
-ATOM  16590  CB  ASP K   5      59.531  -2.972  22.024  1.00 17.12           C  
-ATOM  16591  CG  ASP K   5      58.663  -2.728  20.821  1.00 20.88           C  
-ATOM  16592  OD1 ASP K   5      58.434  -1.532  20.484  1.00 24.18           O  
-ATOM  16593  OD2 ASP K   5      58.148  -3.677  20.151  1.00 25.13           O  
-ATOM  16594  N   ILE K   6      62.218  -3.016  23.555  1.00 15.29           N  
-ATOM  16595  CA  ILE K   6      62.963  -3.345  24.765  1.00 14.68           C  
-ATOM  16596  C   ILE K   6      63.637  -2.079  25.310  1.00 14.60           C  
-ATOM  16597  O   ILE K   6      63.579  -1.789  26.512  1.00 13.97           O  
-ATOM  16598  CB  ILE K   6      63.993  -4.480  24.502  1.00 14.73           C  
-ATOM  16599  CG1 ILE K   6      63.282  -5.787  24.114  1.00 13.96           C  
-ATOM  16600  CG2 ILE K   6      64.941  -4.703  25.718  1.00 13.78           C  
-ATOM  16601  CD1 ILE K   6      64.125  -6.735  23.292  1.00 12.88           C  
-ATOM  16602  N   LEU K   7      64.258  -1.325  24.427  1.00 14.74           N  
-ATOM  16603  CA  LEU K   7      65.041  -0.164  24.848  1.00 15.72           C  
-ATOM  16604  C   LEU K   7      64.153   0.984  25.309  1.00 15.61           C  
-ATOM  16605  O   LEU K   7      64.504   1.697  26.245  1.00 14.93           O  
-ATOM  16606  CB  LEU K   7      65.999   0.280  23.736  1.00 16.06           C  
-ATOM  16607  CG  LEU K   7      67.203  -0.670  23.608  1.00 17.57           C  
-ATOM  16608  CD1 LEU K   7      67.758  -0.694  22.195  1.00 18.88           C  
-ATOM  16609  CD2 LEU K   7      68.260  -0.273  24.616  1.00 19.11           C  
-ATOM  16610  N   TYR K   8      62.992   1.126  24.660  1.00 15.71           N  
-ATOM  16611  CA  TYR K   8      61.970   2.068  25.092  1.00 16.86           C  
-ATOM  16612  C   TYR K   8      61.473   1.745  26.500  1.00 16.40           C  
-ATOM  16613  O   TYR K   8      61.423   2.620  27.375  1.00 15.93           O  
-ATOM  16614  CB  TYR K   8      60.789   2.062  24.115  1.00 17.58           C  
-ATOM  16615  CG  TYR K   8      59.641   2.980  24.480  1.00 20.83           C  
-ATOM  16616  CD1 TYR K   8      59.761   4.368  24.366  1.00 24.34           C  
-ATOM  16617  CD2 TYR K   8      58.435   2.457  24.923  1.00 23.06           C  
-ATOM  16618  CE1 TYR K   8      58.702   5.223  24.699  1.00 26.10           C  
-ATOM  16619  CE2 TYR K   8      57.357   3.287  25.245  1.00 25.54           C  
-ATOM  16620  CZ  TYR K   8      57.497   4.674  25.138  1.00 27.02           C  
-ATOM  16621  OH  TYR K   8      56.421   5.495  25.461  1.00 28.53           O  
-ATOM  16622  N   ASN K   9      61.106   0.491  26.711  1.00 16.04           N  
-ATOM  16623  CA  ASN K   9      60.632   0.078  28.028  1.00 16.54           C  
-ATOM  16624  C   ASN K   9      61.678   0.256  29.129  1.00 16.22           C  
-ATOM  16625  O   ASN K   9      61.356   0.730  30.200  1.00 15.93           O  
-ATOM  16626  CB  ASN K   9      60.099  -1.349  27.986  1.00 16.60           C  
-ATOM  16627  CG  ASN K   9      58.850  -1.478  27.125  1.00 18.26           C  
-ATOM  16628  OD1 ASN K   9      58.234  -0.480  26.758  1.00 19.44           O  
-ATOM  16629  ND2 ASN K   9      58.486  -2.704  26.784  1.00 17.62           N  
-ATOM  16630  N   ILE K  10      62.932  -0.119  28.859  1.00 16.55           N  
-ATOM  16631  CA  ILE K  10      64.021   0.133  29.820  1.00 16.56           C  
-ATOM  16632  C   ILE K  10      64.168   1.620  30.093  1.00 17.13           C  
-ATOM  16633  O   ILE K  10      64.252   2.034  31.251  1.00 16.78           O  
-ATOM  16634  CB  ILE K  10      65.365  -0.463  29.330  1.00 16.76           C  
-ATOM  16635  CG1 ILE K  10      65.330  -1.987  29.477  1.00 15.45           C  
-ATOM  16636  CG2 ILE K  10      66.568   0.158  30.088  1.00 15.80           C  
-ATOM  16637  CD1 ILE K  10      66.381  -2.714  28.700  1.00 13.80           C  
-ATOM  16638  N   ARG K  11      64.177   2.420  29.041  1.00 17.71           N  
-ATOM  16639  CA  ARG K  11      64.406   3.841  29.196  1.00 19.42           C  
-ATOM  16640  C   ARG K  11      63.255   4.549  29.934  1.00 19.58           C  
-ATOM  16641  O   ARG K  11      63.507   5.523  30.623  1.00 20.00           O  
-ATOM  16642  CB  ARG K  11      64.746   4.489  27.832  1.00 20.04           C  
-ATOM  16643  CG  ARG K  11      64.589   6.008  27.753  1.00 24.29           C  
-ATOM  16644  CD  ARG K  11      65.768   6.792  28.316  1.00 31.78           C  
-ATOM  16645  NE  ARG K  11      65.829   8.156  27.775  1.00 36.51           N  
-ATOM  16646  CZ  ARG K  11      65.430   9.265  28.428  1.00 37.94           C  
-ATOM  16647  NH1 ARG K  11      64.943   9.192  29.669  1.00 37.36           N  
-ATOM  16648  NH2 ARG K  11      65.530  10.454  27.831  1.00 37.31           N  
-ATOM  16649  N   GLN K  12      62.017   4.049  29.842  1.00 20.08           N  
-ATOM  16650  CA  GLN K  12      60.896   4.706  30.525  1.00 20.96           C  
-ATOM  16651  C   GLN K  12      60.815   4.396  31.993  1.00 21.15           C  
-ATOM  16652  O   GLN K  12      60.388   5.224  32.793  1.00 21.32           O  
-ATOM  16653  CB  GLN K  12      59.547   4.325  29.917  1.00 21.32           C  
-ATOM  16654  CG  GLN K  12      59.321   4.762  28.506  1.00 24.08           C  
-ATOM  16655  CD  GLN K  12      59.215   6.250  28.375  1.00 27.52           C  
-ATOM  16656  OE1 GLN K  12      58.161   6.845  28.667  1.00 30.85           O  
-ATOM  16657  NE2 GLN K  12      60.294   6.869  27.923  1.00 28.16           N  
-ATOM  16658  N   THR K  13      61.155   3.172  32.340  1.00 21.50           N  
-ATOM  16659  CA  THR K  13      60.993   2.737  33.708  1.00 22.06           C  
-ATOM  16660  C   THR K  13      62.336   2.693  34.403  1.00 23.42           C  
-ATOM  16661  O   THR K  13      62.414   2.366  35.579  1.00 24.68           O  
-ATOM  16662  CB  THR K  13      60.282   1.370  33.762  1.00 22.04           C  
-ATOM  16663  OG1 THR K  13      61.043   0.398  33.036  1.00 20.58           O  
-ATOM  16664  CG2 THR K  13      58.962   1.431  33.009  1.00 20.18           C  
-ATOM  16665  N   SER K  14      63.401   3.040  33.676  1.00 24.92           N  
-ATOM  16666  CA  SER K  14      64.741   3.177  34.272  1.00 25.52           C  
-ATOM  16667  C   SER K  14      64.699   3.981  35.573  1.00 24.98           C  
-ATOM  16668  O   SER K  14      64.195   5.142  35.604  1.00 24.91           O  
-ATOM  16669  CB  SER K  14      65.712   3.876  33.301  1.00 25.91           C  
-ATOM  16670  OG  SER K  14      65.269   5.200  32.997  1.00 24.30           O  
-ATOM  16671  N   ARG K  15      65.181   3.344  36.640  1.00 23.81           N  
-ATOM  16672  CA  ARG K  15      65.488   4.056  37.880  1.00 22.90           C  
-ATOM  16673  C   ARG K  15      67.013   4.070  38.158  1.00 21.99           C  
-ATOM  16674  O   ARG K  15      67.517   3.377  39.066  1.00 21.14           O  
-ATOM  16675  CB  ARG K  15      64.664   3.506  39.046  1.00 22.75           C  
-ATOM  16676  CG  ARG K  15      63.165   3.847  38.966  1.00 24.74           C  
-ATOM  16677  CD  ARG K  15      62.822   5.339  39.155  1.00 26.32           C  
-ATOM  16678  NE  ARG K  15      63.255   5.819  40.471  1.00 28.97           N  
-ATOM  16679  CZ  ARG K  15      62.472   5.932  41.545  1.00 28.00           C  
-ATOM  16680  NH1 ARG K  15      61.180   5.641  41.490  1.00 28.01           N  
-ATOM  16681  NH2 ARG K  15      62.987   6.360  42.684  1.00 28.68           N  
-ATOM  16682  N   PRO K  16      67.747   4.893  37.397  1.00 20.93           N  
-ATOM  16683  CA  PRO K  16      69.216   4.831  37.441  1.00 20.40           C  
-ATOM  16684  C   PRO K  16      69.728   5.190  38.831  1.00 20.01           C  
-ATOM  16685  O   PRO K  16      70.875   4.813  39.166  1.00 20.23           O  
-ATOM  16686  CB  PRO K  16      69.686   5.865  36.383  1.00 19.95           C  
-ATOM  16687  CG  PRO K  16      68.427   6.441  35.777  1.00 20.25           C  
-ATOM  16688  CD  PRO K  16      67.245   5.979  36.528  1.00 19.70           C  
-ATOM  16689  N   ASP K  17      68.903   5.879  39.627  1.00 18.52           N  
-ATOM  16690  CA  ASP K  17      69.285   6.198  40.998  1.00 18.47           C  
-ATOM  16691  C   ASP K  17      68.892   5.132  42.056  1.00 18.23           C  
-ATOM  16692  O   ASP K  17      69.188   5.318  43.230  1.00 17.97           O  
-ATOM  16693  CB  ASP K  17      68.786   7.611  41.404  1.00 18.81           C  
-ATOM  16694  CG  ASP K  17      69.115   8.708  40.330  1.00 21.25           C  
-ATOM  16695  OD1 ASP K  17      70.291   8.845  39.887  1.00 21.77           O  
-ATOM  16696  OD2 ASP K  17      68.252   9.486  39.845  1.00 26.19           O  
-ATOM  16697  N   VAL K  18      68.247   4.024  41.657  1.00 17.67           N  
-ATOM  16698  CA  VAL K  18      67.737   3.038  42.628  1.00 17.51           C  
-ATOM  16699  C   VAL K  18      68.474   1.704  42.593  1.00 17.54           C  
-ATOM  16700  O   VAL K  18      68.378   0.972  41.616  1.00 16.99           O  
-ATOM  16701  CB  VAL K  18      66.226   2.781  42.442  1.00 17.47           C  
-ATOM  16702  CG1 VAL K  18      65.716   1.773  43.455  1.00 17.14           C  
-ATOM  16703  CG2 VAL K  18      65.458   4.092  42.557  1.00 16.38           C  
-ATOM  16704  N   ILE K  19      69.201   1.397  43.671  1.00 17.68           N  
-ATOM  16705  CA  ILE K  19      69.949   0.152  43.753  1.00 18.07           C  
-ATOM  16706  C   ILE K  19      68.961  -1.040  43.684  1.00 19.06           C  
-ATOM  16707  O   ILE K  19      67.977  -1.050  44.422  1.00 18.72           O  
-ATOM  16708  CB  ILE K  19      70.840   0.130  45.024  1.00 17.97           C  
-ATOM  16709  CG1 ILE K  19      71.599  -1.205  45.141  1.00 17.41           C  
-ATOM  16710  CG2 ILE K  19      70.041   0.443  46.284  1.00 16.89           C  
-ATOM  16711  CD1 ILE K  19      72.594  -1.258  46.300  1.00 16.20           C  
-ATOM  16712  N   PRO K  20      69.195  -1.998  42.776  1.00 20.00           N  
-ATOM  16713  CA  PRO K  20      68.231  -3.073  42.502  1.00 21.32           C  
-ATOM  16714  C   PRO K  20      68.318  -4.171  43.553  1.00 22.89           C  
-ATOM  16715  O   PRO K  20      68.600  -5.355  43.278  1.00 22.85           O  
-ATOM  16716  CB  PRO K  20      68.669  -3.593  41.135  1.00 20.67           C  
-ATOM  16717  CG  PRO K  20      70.164  -3.400  41.141  1.00 20.58           C  
-ATOM  16718  CD  PRO K  20      70.394  -2.122  41.929  1.00 20.38           C  
-ATOM  16719  N   THR K  21      68.097  -3.744  44.786  1.00 24.91           N  
-ATOM  16720  CA  THR K  21      68.100  -4.624  45.930  1.00 27.28           C  
-ATOM  16721  C   THR K  21      66.879  -5.522  45.820  1.00 28.69           C  
-ATOM  16722  O   THR K  21      65.780  -5.054  45.524  1.00 29.13           O  
-ATOM  16723  CB  THR K  21      68.139  -3.757  47.191  1.00 27.04           C  
-ATOM  16724  OG1 THR K  21      69.448  -3.855  47.769  1.00 28.87           O  
-ATOM  16725  CG2 THR K  21      67.199  -4.244  48.270  1.00 28.66           C  
-ATOM  16726  N   GLN K  22      67.096  -6.822  45.985  1.00 29.92           N  
-ATOM  16727  CA  GLN K  22      66.009  -7.786  45.981  1.00 31.09           C  
-ATOM  16728  C   GLN K  22      65.938  -8.591  47.282  1.00 31.36           C  
-ATOM  16729  O   GLN K  22      66.862  -9.352  47.580  1.00 31.24           O  
-ATOM  16730  CB  GLN K  22      66.098  -8.743  44.777  1.00 31.63           C  
-ATOM  16731  CG  GLN K  22      67.485  -9.114  44.269  1.00 32.48           C  
-ATOM  16732  CD  GLN K  22      67.419 -10.094  43.092  1.00 34.85           C  
-ATOM  16733  OE1 GLN K  22      68.268 -10.060  42.189  1.00 35.47           O  
-ATOM  16734  NE2 GLN K  22      66.410 -10.971  43.102  1.00 37.03           N  
-ATOM  16735  N   ARG K  23      64.852  -8.401  48.039  1.00 31.37           N  
-ATOM  16736  CA  ARG K  23      64.568  -9.156  49.280  1.00 32.38           C  
-ATOM  16737  C   ARG K  23      65.497  -8.794  50.458  1.00 31.90           C  
-ATOM  16738  O   ARG K  23      65.753  -9.628  51.343  1.00 31.93           O  
-ATOM  16739  CB  ARG K  23      64.570 -10.685  49.021  1.00 32.51           C  
-ATOM  16740  CG  ARG K  23      63.192 -11.329  48.758  1.00 35.83           C  
-ATOM  16741  CD  ARG K  23      63.190 -12.476  47.703  1.00 41.34           C  
-ATOM  16742  NE  ARG K  23      63.560 -11.997  46.351  1.00 44.70           N  
-ATOM  16743  CZ  ARG K  23      63.292 -12.625  45.197  1.00 45.47           C  
-ATOM  16744  NH1 ARG K  23      62.645 -13.788  45.187  1.00 45.12           N  
-ATOM  16745  NH2 ARG K  23      63.682 -12.082  44.042  1.00 45.96           N  
-ATOM  16746  N   ASP K  24      65.970  -7.541  50.463  1.00 31.59           N  
-ATOM  16747  CA  ASP K  24      66.958  -7.011  51.438  1.00 30.97           C  
-ATOM  16748  C   ASP K  24      68.308  -7.763  51.452  1.00 29.16           C  
-ATOM  16749  O   ASP K  24      69.088  -7.699  52.417  1.00 28.57           O  
-ATOM  16750  CB  ASP K  24      66.352  -6.844  52.856  1.00 32.22           C  
-ATOM  16751  CG  ASP K  24      65.695  -5.461  53.058  1.00 34.56           C  
-ATOM  16752  OD1 ASP K  24      66.276  -4.446  52.603  1.00 36.51           O  
-ATOM  16753  OD2 ASP K  24      64.592  -5.299  53.644  1.00 36.24           O  
-ATOM  16754  N   ARG K  25      68.552  -8.480  50.362  1.00 26.96           N  
-ATOM  16755  CA  ARG K  25      69.839  -9.064  50.082  1.00 25.55           C  
-ATOM  16756  C   ARG K  25      70.698  -7.994  49.395  1.00 23.85           C  
-ATOM  16757  O   ARG K  25      70.178  -7.185  48.635  1.00 23.36           O  
-ATOM  16758  CB  ARG K  25      69.678 -10.280  49.162  1.00 25.61           C  
-ATOM  16759  CG  ARG K  25      69.059 -11.515  49.820  1.00 27.36           C  
-ATOM  16760  CD  ARG K  25      69.035 -12.772  48.922  1.00 29.82           C  
-ATOM  16761  NE  ARG K  25      69.634 -12.511  47.618  1.00 31.11           N  
-ATOM  16762  CZ  ARG K  25      68.991 -12.590  46.464  1.00 32.85           C  
-ATOM  16763  NH1 ARG K  25      67.707 -12.964  46.439  1.00 34.84           N  
-ATOM  16764  NH2 ARG K  25      69.631 -12.296  45.328  1.00 33.50           N  
-ATOM  16765  N   PRO K  26      72.007  -7.990  49.651  1.00 22.58           N  
-ATOM  16766  CA  PRO K  26      72.916  -7.090  48.930  1.00 21.03           C  
-ATOM  16767  C   PRO K  26      72.901  -7.427  47.447  1.00 19.78           C  
-ATOM  16768  O   PRO K  26      72.647  -8.591  47.098  1.00 19.15           O  
-ATOM  16769  CB  PRO K  26      74.293  -7.408  49.539  1.00 21.11           C  
-ATOM  16770  CG  PRO K  26      74.133  -8.784  50.169  1.00 21.44           C  
-ATOM  16771  CD  PRO K  26      72.719  -8.847  50.618  1.00 22.22           C  
-ATOM  16772  N   VAL K  27      73.116  -6.420  46.596  1.00 18.63           N  
-ATOM  16773  CA  VAL K  27      73.369  -6.636  45.172  1.00 17.84           C  
-ATOM  16774  C   VAL K  27      74.771  -7.236  45.042  1.00 17.38           C  
-ATOM  16775  O   VAL K  27      75.759  -6.655  45.495  1.00 17.15           O  
-ATOM  16776  CB  VAL K  27      73.263  -5.326  44.368  1.00 17.79           C  
-ATOM  16777  CG1 VAL K  27      73.589  -5.558  42.903  1.00 17.73           C  
-ATOM  16778  CG2 VAL K  27      71.854  -4.770  44.475  1.00 17.91           C  
-ATOM  16779  N   ALA K  28      74.847  -8.422  44.456  1.00 16.83           N  
-ATOM  16780  CA  ALA K  28      76.128  -9.114  44.262  1.00 16.46           C  
-ATOM  16781  C   ALA K  28      76.794  -8.578  43.012  1.00 16.00           C  
-ATOM  16782  O   ALA K  28      76.320  -8.812  41.905  1.00 15.72           O  
-ATOM  16783  CB  ALA K  28      75.918 -10.659  44.174  1.00 15.72           C  
-ATOM  16784  N   VAL K  29      77.877  -7.838  43.200  1.00 16.20           N  
-ATOM  16785  CA  VAL K  29      78.630  -7.256  42.077  1.00 16.43           C  
-ATOM  16786  C   VAL K  29      79.949  -8.025  41.908  1.00 17.22           C  
-ATOM  16787  O   VAL K  29      80.672  -8.234  42.872  1.00 17.01           O  
-ATOM  16788  CB  VAL K  29      78.906  -5.746  42.314  1.00 16.16           C  
-ATOM  16789  CG1 VAL K  29      79.662  -5.155  41.145  1.00 14.83           C  
-ATOM  16790  CG2 VAL K  29      77.603  -4.982  42.530  1.00 15.49           C  
-ATOM  16791  N   SER K  30      80.231  -8.471  40.691  1.00 17.92           N  
-ATOM  16792  CA  SER K  30      81.514  -9.082  40.355  1.00 19.12           C  
-ATOM  16793  C   SER K  30      82.364  -8.075  39.618  1.00 19.38           C  
-ATOM  16794  O   SER K  30      81.837  -7.373  38.733  1.00 19.77           O  
-ATOM  16795  CB  SER K  30      81.338 -10.310  39.465  1.00 18.42           C  
-ATOM  16796  OG  SER K  30      80.544 -11.238  40.147  1.00 21.59           O  
-ATOM  16797  N   VAL K  31      83.643  -8.002  39.992  1.00 19.71           N  
-ATOM  16798  CA  VAL K  31      84.597  -7.076  39.375  1.00 21.05           C  
-ATOM  16799  C   VAL K  31      85.860  -7.815  39.069  1.00 21.14           C  
-ATOM  16800  O   VAL K  31      86.294  -8.680  39.838  1.00 21.32           O  
-ATOM  16801  CB  VAL K  31      85.035  -5.886  40.286  1.00 21.66           C  
-ATOM  16802  CG1 VAL K  31      85.509  -4.699  39.417  1.00 21.38           C  
-ATOM  16803  CG2 VAL K  31      83.952  -5.453  41.198  1.00 22.42           C  
-ATOM  16804  N   SER K  32      86.444  -7.470  37.937  1.00 21.39           N  
-ATOM  16805  CA  SER K  32      87.643  -8.092  37.475  1.00 22.89           C  
-ATOM  16806  C   SER K  32      88.338  -7.091  36.582  1.00 22.67           C  
-ATOM  16807  O   SER K  32      87.712  -6.536  35.692  1.00 22.84           O  
-ATOM  16808  CB  SER K  32      87.270  -9.345  36.689  1.00 22.83           C  
-ATOM  16809  OG  SER K  32      88.396  -9.869  36.044  1.00 27.29           O  
-ATOM  16810  N   LEU K  33      89.628  -6.860  36.810  1.00 22.47           N  
-ATOM  16811  CA  LEU K  33      90.384  -5.959  35.952  1.00 21.74           C  
-ATOM  16812  C   LEU K  33      91.161  -6.776  34.928  1.00 21.71           C  
-ATOM  16813  O   LEU K  33      91.873  -7.719  35.285  1.00 21.82           O  
-ATOM  16814  CB  LEU K  33      91.311  -5.080  36.788  1.00 21.31           C  
-ATOM  16815  CG  LEU K  33      90.709  -4.268  37.940  1.00 21.59           C  
-ATOM  16816  CD1 LEU K  33      91.759  -3.297  38.498  1.00 19.82           C  
-ATOM  16817  CD2 LEU K  33      89.433  -3.506  37.563  1.00 20.53           C  
-ATOM  16818  N   LYS K  34      91.000  -6.449  33.654  1.00 21.07           N  
-ATOM  16819  CA  LYS K  34      91.847  -7.031  32.618  1.00 20.62           C  
-ATOM  16820  C   LYS K  34      92.850  -5.990  32.178  1.00 19.80           C  
-ATOM  16821  O   LYS K  34      92.490  -4.995  31.522  1.00 19.06           O  
-ATOM  16822  CB  LYS K  34      91.020  -7.475  31.414  1.00 21.24           C  
-ATOM  16823  CG  LYS K  34      89.731  -8.172  31.780  1.00 23.56           C  
-ATOM  16824  CD  LYS K  34      89.998  -9.645  32.173  1.00 27.38           C  
-ATOM  16825  CE  LYS K  34      88.728 -10.251  32.785  1.00 30.28           C  
-ATOM  16826  NZ  LYS K  34      88.989 -11.604  33.404  1.00 33.48           N  
-ATOM  16827  N   PHE K  35      94.118  -6.231  32.517  1.00 18.53           N  
-ATOM  16828  CA  PHE K  35      95.142  -5.244  32.247  1.00 17.51           C  
-ATOM  16829  C   PHE K  35      95.539  -5.210  30.787  1.00 17.03           C  
-ATOM  16830  O   PHE K  35      95.836  -6.250  30.182  1.00 16.29           O  
-ATOM  16831  CB  PHE K  35      96.321  -5.441  33.187  1.00 17.26           C  
-ATOM  16832  CG  PHE K  35      95.996  -5.104  34.612  1.00 17.49           C  
-ATOM  16833  CD1 PHE K  35      95.968  -3.784  35.047  1.00 17.66           C  
-ATOM  16834  CD2 PHE K  35      95.678  -6.115  35.519  1.00 18.18           C  
-ATOM  16835  CE1 PHE K  35      95.644  -3.475  36.369  1.00 18.78           C  
-ATOM  16836  CE2 PHE K  35      95.361  -5.822  36.841  1.00 17.81           C  
-ATOM  16837  CZ  PHE K  35      95.336  -4.500  37.271  1.00 18.23           C  
-ATOM  16838  N   ILE K  36      95.519  -4.005  30.215  1.00 16.21           N  
-ATOM  16839  CA  ILE K  36      95.846  -3.837  28.792  1.00 16.09           C  
-ATOM  16840  C   ILE K  36      97.240  -3.270  28.614  1.00 16.39           C  
-ATOM  16841  O   ILE K  36      98.008  -3.681  27.700  1.00 15.97           O  
-ATOM  16842  CB  ILE K  36      94.766  -2.953  28.058  1.00 15.98           C  
-ATOM  16843  CG1 ILE K  36      93.362  -3.441  28.390  1.00 15.56           C  
-ATOM  16844  CG2 ILE K  36      94.997  -2.924  26.557  1.00 14.79           C  
-ATOM  16845  CD1 ILE K  36      93.093  -4.941  28.127  1.00 14.15           C  
-ATOM  16846  N   ASN K  37      97.570  -2.320  29.479  1.00 16.99           N  
-ATOM  16847  CA  ASN K  37      98.812  -1.570  29.344  1.00 18.21           C  
-ATOM  16848  C   ASN K  37      99.217  -0.949  30.644  1.00 18.74           C  
-ATOM  16849  O   ASN K  37      98.356  -0.654  31.493  1.00 18.89           O  
-ATOM  16850  CB  ASN K  37      98.748  -0.499  28.251  1.00 17.47           C  
-ATOM  16851  CG  ASN K  37      99.941  -0.544  27.343  1.00 19.76           C  
-ATOM  16852  OD1 ASN K  37     101.118  -0.600  27.786  1.00 19.19           O  
-ATOM  16853  ND2 ASN K  37      99.661  -0.530  26.053  1.00 16.90           N  
-ATOM  16854  N   ILE K  38     100.533  -0.796  30.795  1.00 19.10           N  
-ATOM  16855  CA  ILE K  38     101.128  -0.021  31.868  1.00 19.67           C  
-ATOM  16856  C   ILE K  38     101.951   1.052  31.175  1.00 20.23           C  
-ATOM  16857  O   ILE K  38     102.902   0.751  30.476  1.00 20.62           O  
-ATOM  16858  CB  ILE K  38     101.985  -0.932  32.783  1.00 19.75           C  
-ATOM  16859  CG1 ILE K  38     101.093  -1.995  33.444  1.00 19.67           C  
-ATOM  16860  CG2 ILE K  38     102.727  -0.114  33.828  1.00 19.38           C  
-ATOM  16861  CD1 ILE K  38     101.823  -3.214  33.893  1.00 19.64           C  
-ATOM  16862  N   LEU K  39     101.565   2.309  31.348  1.00 21.23           N  
-ATOM  16863  CA  LEU K  39     102.069   3.389  30.495  1.00 21.88           C  
-ATOM  16864  C   LEU K  39     103.203   4.156  31.133  1.00 22.46           C  
-ATOM  16865  O   LEU K  39     104.086   4.680  30.451  1.00 23.19           O  
-ATOM  16866  CB  LEU K  39     100.928   4.361  30.131  1.00 21.76           C  
-ATOM  16867  CG  LEU K  39      99.750   3.625  29.505  1.00 22.81           C  
-ATOM  16868  CD1 LEU K  39      98.534   4.483  29.437  1.00 23.74           C  
-ATOM  16869  CD2 LEU K  39     100.124   3.083  28.125  1.00 23.15           C  
-ATOM  16870  N   GLU K  40     103.170   4.247  32.451  1.00 22.59           N  
-ATOM  16871  CA  GLU K  40     104.196   5.004  33.145  1.00 23.18           C  
-ATOM  16872  C   GLU K  40     104.272   4.478  34.550  1.00 22.31           C  
-ATOM  16873  O   GLU K  40     103.241   4.144  35.161  1.00 22.63           O  
-ATOM  16874  CB  GLU K  40     103.863   6.497  33.144  1.00 23.45           C  
-ATOM  16875  CG  GLU K  40     104.946   7.350  33.764  1.00 27.15           C  
-ATOM  16876  CD  GLU K  40     104.606   8.832  33.750  1.00 32.02           C  
-ATOM  16877  OE1 GLU K  40     103.411   9.187  33.959  1.00 33.17           O  
-ATOM  16878  OE2 GLU K  40     105.541   9.641  33.542  1.00 33.42           O  
-ATOM  16879  N   VAL K  41     105.492   4.398  35.041  1.00 21.14           N  
-ATOM  16880  CA  VAL K  41     105.785   3.833  36.338  1.00 20.76           C  
-ATOM  16881  C   VAL K  41     106.836   4.774  36.909  1.00 20.41           C  
-ATOM  16882  O   VAL K  41     107.717   5.233  36.186  1.00 19.96           O  
-ATOM  16883  CB  VAL K  41     106.298   2.363  36.186  1.00 20.80           C  
-ATOM  16884  CG1 VAL K  41     107.229   1.981  37.246  1.00 20.87           C  
-ATOM  16885  CG2 VAL K  41     105.155   1.398  36.172  1.00 20.58           C  
-ATOM  16886  N   ASN K  42     106.718   5.094  38.187  1.00 20.39           N  
-ATOM  16887  CA  ASN K  42     107.680   5.970  38.843  1.00 20.53           C  
-ATOM  16888  C   ASN K  42     108.043   5.368  40.182  1.00 20.73           C  
-ATOM  16889  O   ASN K  42     107.236   5.372  41.101  1.00 20.28           O  
-ATOM  16890  CB  ASN K  42     107.124   7.391  38.997  1.00 20.44           C  
-ATOM  16891  CG  ASN K  42     108.192   8.401  39.443  1.00 20.73           C  
-ATOM  16892  OD1 ASN K  42     109.042   8.102  40.271  1.00 21.04           O  
-ATOM  16893  ND2 ASN K  42     108.114   9.608  38.909  1.00 19.38           N  
-ATOM  16894  N   GLU K  43     109.258   4.832  40.270  1.00 21.17           N  
-ATOM  16895  CA  GLU K  43     109.712   4.153  41.478  1.00 21.93           C  
-ATOM  16896  C   GLU K  43     110.006   5.115  42.633  1.00 21.79           C  
-ATOM  16897  O   GLU K  43     109.947   4.719  43.794  1.00 21.54           O  
-ATOM  16898  CB  GLU K  43     110.916   3.235  41.180  1.00 22.37           C  
-ATOM  16899  CG  GLU K  43     110.915   1.928  41.971  1.00 24.25           C  
-ATOM  16900  CD  GLU K  43     112.148   1.057  41.716  1.00 27.25           C  
-ATOM  16901  OE1 GLU K  43     112.648   1.021  40.560  1.00 28.57           O  
-ATOM  16902  OE2 GLU K  43     112.612   0.396  42.677  1.00 27.35           O  
-ATOM  16903  N   ILE K  44     110.303   6.373  42.308  1.00 21.83           N  
-ATOM  16904  CA  ILE K  44     110.540   7.406  43.325  1.00 21.94           C  
-ATOM  16905  C   ILE K  44     109.227   7.799  44.000  1.00 21.57           C  
-ATOM  16906  O   ILE K  44     109.140   7.815  45.217  1.00 21.52           O  
-ATOM  16907  CB  ILE K  44     111.271   8.683  42.731  1.00 22.40           C  
-ATOM  16908  CG1 ILE K  44     112.597   8.331  42.031  1.00 22.85           C  
-ATOM  16909  CG2 ILE K  44     111.506   9.748  43.803  1.00 22.45           C  
-ATOM  16910  CD1 ILE K  44     113.627   7.605  42.899  1.00 24.10           C  
-ATOM  16911  N   THR K  45     108.208   8.108  43.202  1.00 20.91           N  
-ATOM  16912  CA  THR K  45     106.943   8.594  43.755  1.00 20.49           C  
-ATOM  16913  C   THR K  45     105.968   7.465  44.103  1.00 19.93           C  
-ATOM  16914  O   THR K  45     104.970   7.703  44.773  1.00 19.99           O  
-ATOM  16915  CB  THR K  45     106.257   9.637  42.810  1.00 20.48           C  
-ATOM  16916  OG1 THR K  45     105.950   9.031  41.552  1.00 20.65           O  
-ATOM  16917  CG2 THR K  45     107.225  10.772  42.424  1.00 20.30           C  
-ATOM  16918  N   ASN K  46     106.274   6.246  43.664  1.00 19.36           N  
-ATOM  16919  CA  ASN K  46     105.370   5.091  43.830  1.00 18.91           C  
-ATOM  16920  C   ASN K  46     104.026   5.319  43.155  1.00 18.72           C  
-ATOM  16921  O   ASN K  46     102.987   5.230  43.781  1.00 18.37           O  
-ATOM  16922  CB  ASN K  46     105.182   4.733  45.306  1.00 18.48           C  
-ATOM  16923  CG  ASN K  46     106.213   3.731  45.798  1.00 18.28           C  
-ATOM  16924  OD1 ASN K  46     106.675   2.867  45.042  1.00 17.34           O  
-ATOM  16925  ND2 ASN K  46     106.558   3.827  47.077  1.00 15.37           N  
-ATOM  16926  N   GLU K  47     104.078   5.670  41.875  1.00 19.02           N  
-ATOM  16927  CA  GLU K  47     102.886   5.969  41.100  1.00 19.58           C  
-ATOM  16928  C   GLU K  47     102.948   5.198  39.794  1.00 19.57           C  
-ATOM  16929  O   GLU K  47     104.034   5.032  39.215  1.00 19.07           O  
-ATOM  16930  CB  GLU K  47     102.771   7.489  40.844  1.00 19.67           C  
-ATOM  16931  CG  GLU K  47     102.439   8.315  42.095  1.00 21.59           C  
-ATOM  16932  CD  GLU K  47     102.525   9.824  41.881  1.00 25.79           C  
-ATOM  16933  OE1 GLU K  47     102.320  10.282  40.726  1.00 28.09           O  
-ATOM  16934  OE2 GLU K  47     102.777  10.568  42.872  1.00 27.95           O  
-ATOM  16935  N   VAL K  48     101.780   4.718  39.348  1.00 19.51           N  
-ATOM  16936  CA  VAL K  48     101.644   3.998  38.080  1.00 20.05           C  
-ATOM  16937  C   VAL K  48     100.465   4.508  37.277  1.00 20.20           C  
-ATOM  16938  O   VAL K  48      99.444   4.892  37.818  1.00 19.99           O  
-ATOM  16939  CB  VAL K  48     101.520   2.439  38.260  1.00 20.08           C  
-ATOM  16940  CG1 VAL K  48     102.672   1.884  39.032  1.00 20.70           C  
-ATOM  16941  CG2 VAL K  48     100.224   2.054  38.946  1.00 20.78           C  
-ATOM  16942  N   ASP K  49     100.616   4.495  35.968  1.00 20.64           N  
-ATOM  16943  CA  ASP K  49      99.560   4.886  35.043  1.00 21.44           C  
-ATOM  16944  C   ASP K  49      99.214   3.602  34.289  1.00 20.85           C  
-ATOM  16945  O   ASP K  49     100.095   2.958  33.734  1.00 20.52           O  
-ATOM  16946  CB  ASP K  49     100.140   5.963  34.097  1.00 22.24           C  
-ATOM  16947  CG  ASP K  49      99.090   6.790  33.376  1.00 24.96           C  
-ATOM  16948  OD1 ASP K  49      97.903   6.413  33.356  1.00 28.77           O  
-ATOM  16949  OD2 ASP K  49      99.382   7.863  32.775  1.00 28.89           O  
-ATOM  16950  N   VAL K  50      97.945   3.203  34.304  1.00 20.58           N  
-ATOM  16951  CA  VAL K  50      97.540   1.901  33.783  1.00 20.46           C  
-ATOM  16952  C   VAL K  50      96.264   1.985  32.959  1.00 19.63           C  
-ATOM  16953  O   VAL K  50      95.432   2.866  33.206  1.00 19.26           O  
-ATOM  16954  CB  VAL K  50      97.303   0.889  34.973  1.00 21.03           C  
-ATOM  16955  CG1 VAL K  50      96.807  -0.435  34.485  1.00 22.68           C  
-ATOM  16956  CG2 VAL K  50      98.555   0.675  35.761  1.00 22.09           C  
-ATOM  16957  N   VAL K  51      96.103   1.047  32.015  1.00 18.31           N  
-ATOM  16958  CA  VAL K  51      94.887   0.904  31.226  1.00 17.26           C  
-ATOM  16959  C   VAL K  51      94.355  -0.499  31.418  1.00 17.33           C  
-ATOM  16960  O   VAL K  51      95.074  -1.471  31.181  1.00 16.92           O  
-ATOM  16961  CB  VAL K  51      95.121   1.132  29.716  1.00 17.70           C  
-ATOM  16962  CG1 VAL K  51      93.838   0.895  28.929  1.00 17.06           C  
-ATOM  16963  CG2 VAL K  51      95.699   2.528  29.440  1.00 17.23           C  
-ATOM  16964  N   PHE K  52      93.099  -0.631  31.833  1.00 16.57           N  
-ATOM  16965  CA  PHE K  52      92.513  -1.950  32.012  1.00 15.82           C  
-ATOM  16966  C   PHE K  52      91.051  -1.933  31.593  1.00 16.15           C  
-ATOM  16967  O   PHE K  52      90.463  -0.883  31.413  1.00 16.14           O  
-ATOM  16968  CB  PHE K  52      92.626  -2.377  33.477  1.00 15.47           C  
-ATOM  16969  CG  PHE K  52      92.214  -1.305  34.440  1.00 12.63           C  
-ATOM  16970  CD1 PHE K  52      93.111  -0.357  34.855  1.00 13.25           C  
-ATOM  16971  CD2 PHE K  52      90.898  -1.232  34.892  1.00 16.41           C  
-ATOM  16972  CE1 PHE K  52      92.726   0.664  35.749  1.00 15.87           C  
-ATOM  16973  CE2 PHE K  52      90.458  -0.198  35.780  1.00 14.51           C  
-ATOM  16974  CZ  PHE K  52      91.370   0.750  36.201  1.00 17.01           C  
-ATOM  16975  N   TRP K  53      90.472  -3.109  31.437  1.00 16.57           N  
-ATOM  16976  CA  TRP K  53      89.050  -3.241  31.208  1.00 17.42           C  
-ATOM  16977  C   TRP K  53      88.436  -3.615  32.549  1.00 18.17           C  
-ATOM  16978  O   TRP K  53      88.827  -4.603  33.175  1.00 17.67           O  
-ATOM  16979  CB  TRP K  53      88.753  -4.318  30.156  1.00 16.87           C  
-ATOM  16980  CG  TRP K  53      89.333  -4.035  28.817  1.00 16.85           C  
-ATOM  16981  CD1 TRP K  53      89.855  -2.851  28.376  1.00 16.72           C  
-ATOM  16982  CD2 TRP K  53      89.477  -4.964  27.735  1.00 16.23           C  
-ATOM  16983  NE1 TRP K  53      90.316  -2.997  27.088  1.00 17.32           N  
-ATOM  16984  CE2 TRP K  53      90.087  -4.279  26.671  1.00 16.92           C  
-ATOM  16985  CE3 TRP K  53      89.131  -6.303  27.553  1.00 18.24           C  
-ATOM  16986  CZ2 TRP K  53      90.371  -4.895  25.429  1.00 19.04           C  
-ATOM  16987  CZ3 TRP K  53      89.411  -6.908  26.347  1.00 19.48           C  
-ATOM  16988  CH2 TRP K  53      90.030  -6.207  25.293  1.00 19.28           C  
-ATOM  16989  N   GLN K  54      87.496  -2.813  33.015  1.00 18.59           N  
-ATOM  16990  CA  GLN K  54      86.910  -3.090  34.324  1.00 19.80           C  
-ATOM  16991  C   GLN K  54      85.650  -3.880  34.100  1.00 19.64           C  
-ATOM  16992  O   GLN K  54      84.572  -3.294  33.937  1.00 19.91           O  
-ATOM  16993  CB  GLN K  54      86.608  -1.814  35.086  1.00 19.91           C  
-ATOM  16994  CG  GLN K  54      86.147  -1.992  36.529  1.00 23.18           C  
-ATOM  16995  CD  GLN K  54      86.204  -0.658  37.307  1.00 27.77           C  
-ATOM  16996  OE1 GLN K  54      87.276  -0.117  37.509  1.00 29.23           O  
-ATOM  16997  NE2 GLN K  54      85.052  -0.145  37.724  1.00 29.20           N  
-ATOM  16998  N   GLN K  55      85.802  -5.195  34.052  1.00 19.33           N  
-ATOM  16999  CA  GLN K  55      84.675  -6.088  33.824  1.00 20.24           C  
-ATOM  17000  C   GLN K  55      83.773  -6.114  35.051  1.00 20.09           C  
-ATOM  17001  O   GLN K  55      84.174  -6.627  36.085  1.00 19.92           O  
-ATOM  17002  CB  GLN K  55      85.138  -7.520  33.536  1.00 19.73           C  
-ATOM  17003  CG  GLN K  55      83.994  -8.462  33.239  1.00 22.06           C  
-ATOM  17004  CD  GLN K  55      84.473  -9.896  32.914  1.00 26.58           C  
-ATOM  17005  OE1 GLN K  55      85.619 -10.092  32.551  1.00 28.48           O  
-ATOM  17006  NE2 GLN K  55      83.582 -10.867  33.015  1.00 26.55           N  
-ATOM  17007  N   THR K  56      82.559  -5.598  34.906  1.00 19.73           N  
-ATOM  17008  CA  THR K  56      81.632  -5.433  36.019  1.00 20.06           C  
-ATOM  17009  C   THR K  56      80.278  -6.048  35.705  1.00 19.69           C  
-ATOM  17010  O   THR K  56      79.659  -5.765  34.685  1.00 19.65           O  
-ATOM  17011  CB  THR K  56      81.439  -3.919  36.339  1.00 20.58           C  
-ATOM  17012  OG1 THR K  56      82.704  -3.270  36.247  1.00 22.45           O  
-ATOM  17013  CG2 THR K  56      81.039  -3.718  37.768  1.00 19.83           C  
-ATOM  17014  N   THR K  57      79.797  -6.817  36.653  1.00 19.28           N  
-ATOM  17015  CA  THR K  57      78.671  -7.706  36.435  1.00 19.72           C  
-ATOM  17016  C   THR K  57      77.752  -7.652  37.657  1.00 18.94           C  
-ATOM  17017  O   THR K  57      78.223  -7.555  38.795  1.00 18.05           O  
-ATOM  17018  CB  THR K  57      79.244  -9.100  36.168  1.00 20.20           C  
-ATOM  17019  OG1 THR K  57      79.133  -9.380  34.772  1.00 22.63           O  
-ATOM  17020  CG2 THR K  57      78.511 -10.216  36.869  1.00 21.61           C  
-ATOM  17021  N   TRP K  58      76.444  -7.644  37.395  1.00 17.81           N  
-ATOM  17022  CA  TRP K  58      75.434  -7.680  38.441  1.00 17.62           C  
-ATOM  17023  C   TRP K  58      74.082  -7.909  37.826  1.00 17.55           C  
-ATOM  17024  O   TRP K  58      73.913  -7.875  36.612  1.00 17.75           O  
-ATOM  17025  CB  TRP K  58      75.400  -6.385  39.254  1.00 16.92           C  
-ATOM  17026  CG  TRP K  58      74.846  -5.205  38.459  1.00 16.78           C  
-ATOM  17027  CD1 TRP K  58      73.541  -4.771  38.440  1.00 16.45           C  
-ATOM  17028  CD2 TRP K  58      75.566  -4.347  37.587  1.00 15.24           C  
-ATOM  17029  NE1 TRP K  58      73.410  -3.712  37.586  1.00 15.84           N  
-ATOM  17030  CE2 TRP K  58      74.645  -3.410  37.064  1.00 14.52           C  
-ATOM  17031  CE3 TRP K  58      76.903  -4.277  37.162  1.00 14.62           C  
-ATOM  17032  CZ2 TRP K  58      75.018  -2.411  36.161  1.00 14.36           C  
-ATOM  17033  CZ3 TRP K  58      77.273  -3.262  36.266  1.00 14.34           C  
-ATOM  17034  CH2 TRP K  58      76.342  -2.361  35.776  1.00 15.56           C  
-ATOM  17035  N   SER K  59      73.112  -8.128  38.685  1.00 17.90           N  
-ATOM  17036  CA  SER K  59      71.779  -8.468  38.257  1.00 19.08           C  
-ATOM  17037  C   SER K  59      70.806  -7.350  38.635  1.00 18.71           C  
-ATOM  17038  O   SER K  59      70.845  -6.816  39.734  1.00 18.28           O  
-ATOM  17039  CB  SER K  59      71.386  -9.817  38.879  1.00 19.12           C  
-ATOM  17040  OG  SER K  59      69.998  -9.889  39.038  1.00 22.35           O  
-ATOM  17041  N   ASP K  60      69.932  -6.997  37.708  1.00 19.23           N  
-ATOM  17042  CA  ASP K  60      68.855  -6.047  37.996  1.00 19.76           C  
-ATOM  17043  C   ASP K  60      67.560  -6.560  37.362  1.00 19.93           C  
-ATOM  17044  O   ASP K  60      67.384  -6.454  36.133  1.00 19.34           O  
-ATOM  17045  CB  ASP K  60      69.213  -4.654  37.453  1.00 19.97           C  
-ATOM  17046  CG  ASP K  60      68.161  -3.570  37.810  1.00 22.41           C  
-ATOM  17047  OD1 ASP K  60      67.030  -3.902  38.272  1.00 21.88           O  
-ATOM  17048  OD2 ASP K  60      68.402  -2.336  37.690  1.00 24.30           O  
-ATOM  17049  N   ARG K  61      66.657  -7.080  38.207  1.00 19.96           N  
-ATOM  17050  CA  ARG K  61      65.450  -7.773  37.772  1.00 21.28           C  
-ATOM  17051  C   ARG K  61      64.385  -6.840  37.231  1.00 21.60           C  
-ATOM  17052  O   ARG K  61      63.478  -7.265  36.509  1.00 21.58           O  
-ATOM  17053  CB  ARG K  61      64.848  -8.589  38.917  1.00 21.66           C  
-ATOM  17054  CG  ARG K  61      65.414 -10.000  39.079  1.00 25.26           C  
-ATOM  17055  CD  ARG K  61      66.563 -10.346  38.149  1.00 31.68           C  
-ATOM  17056  NE  ARG K  61      67.667 -11.019  38.844  1.00 37.46           N  
-ATOM  17057  CZ  ARG K  61      67.880 -12.340  38.838  1.00 39.96           C  
-ATOM  17058  NH1 ARG K  61      67.053 -13.154  38.184  1.00 40.98           N  
-ATOM  17059  NH2 ARG K  61      68.922 -12.852  39.495  1.00 40.98           N  
-ATOM  17060  N   THR K  62      64.490  -5.564  37.582  1.00 20.96           N  
-ATOM  17061  CA  THR K  62      63.589  -4.582  37.014  1.00 21.28           C  
-ATOM  17062  C   THR K  62      63.830  -4.347  35.504  1.00 20.76           C  
-ATOM  17063  O   THR K  62      62.979  -3.786  34.840  1.00 20.56           O  
-ATOM  17064  CB  THR K  62      63.633  -3.237  37.792  1.00 21.41           C  
-ATOM  17065  OG1 THR K  62      64.894  -2.608  37.580  1.00 22.97           O  
-ATOM  17066  CG2 THR K  62      63.599  -3.457  39.307  1.00 22.19           C  
-ATOM  17067  N   LEU K  63      64.973  -4.789  34.984  1.00 20.01           N  
-ATOM  17068  CA  LEU K  63      65.285  -4.687  33.562  1.00 19.77           C  
-ATOM  17069  C   LEU K  63      64.774  -5.861  32.746  1.00 19.69           C  
-ATOM  17070  O   LEU K  63      64.752  -5.785  31.513  1.00 20.02           O  
-ATOM  17071  CB  LEU K  63      66.800  -4.599  33.327  1.00 19.32           C  
-ATOM  17072  CG  LEU K  63      67.562  -3.471  34.036  1.00 20.59           C  
-ATOM  17073  CD1 LEU K  63      69.034  -3.623  33.772  1.00 18.95           C  
-ATOM  17074  CD2 LEU K  63      67.051  -2.079  33.605  1.00 19.41           C  
-ATOM  17075  N   ALA K  64      64.389  -6.943  33.419  1.00 19.15           N  
-ATOM  17076  CA  ALA K  64      64.056  -8.198  32.751  1.00 18.99           C  
-ATOM  17077  C   ALA K  64      62.840  -8.097  31.814  1.00 19.09           C  
-ATOM  17078  O   ALA K  64      61.885  -7.354  32.073  1.00 19.12           O  
-ATOM  17079  CB  ALA K  64      63.836  -9.311  33.784  1.00 18.97           C  
-ATOM  17080  N   TRP K  65      62.877  -8.864  30.731  1.00 18.87           N  
-ATOM  17081  CA  TRP K  65      61.747  -8.962  29.830  1.00 18.68           C  
-ATOM  17082  C   TRP K  65      61.616 -10.389  29.308  1.00 19.41           C  
-ATOM  17083  O   TRP K  65      62.584 -11.152  29.320  1.00 19.16           O  
-ATOM  17084  CB  TRP K  65      61.890  -7.985  28.673  1.00 17.90           C  
-ATOM  17085  CG  TRP K  65      62.976  -8.322  27.695  1.00 16.67           C  
-ATOM  17086  CD1 TRP K  65      62.861  -9.092  26.563  1.00 15.27           C  
-ATOM  17087  CD2 TRP K  65      64.347  -7.898  27.752  1.00 13.97           C  
-ATOM  17088  NE1 TRP K  65      64.073  -9.163  25.921  1.00 13.74           N  
-ATOM  17089  CE2 TRP K  65      65.000  -8.432  26.624  1.00 12.90           C  
-ATOM  17090  CE3 TRP K  65      65.084  -7.100  28.636  1.00 13.30           C  
-ATOM  17091  CZ2 TRP K  65      66.360  -8.204  26.358  1.00 11.89           C  
-ATOM  17092  CZ3 TRP K  65      66.467  -6.886  28.380  1.00 12.65           C  
-ATOM  17093  CH2 TRP K  65      67.072  -7.434  27.253  1.00 12.02           C  
-ATOM  17094  N   ASN K  66      60.413 -10.739  28.859  1.00 19.98           N  
-ATOM  17095  CA  ASN K  66      60.153 -12.037  28.266  1.00 20.79           C  
-ATOM  17096  C   ASN K  66      60.742 -12.072  26.858  1.00 20.81           C  
-ATOM  17097  O   ASN K  66      60.276 -11.353  25.978  1.00 21.14           O  
-ATOM  17098  CB  ASN K  66      58.638 -12.280  28.239  1.00 21.33           C  
-ATOM  17099  CG  ASN K  66      58.272 -13.725  27.894  1.00 22.97           C  
-ATOM  17100  OD1 ASN K  66      59.004 -14.408  27.161  1.00 23.43           O  
-ATOM  17101  ND2 ASN K  66      57.122 -14.191  28.409  1.00 25.17           N  
-ATOM  17102  N   SER K  67      61.782 -12.881  26.649  1.00 20.67           N  
-ATOM  17103  CA  SER K  67      62.437 -12.990  25.347  1.00 20.77           C  
-ATOM  17104  C   SER K  67      62.166 -14.318  24.633  1.00 21.14           C  
-ATOM  17105  O   SER K  67      63.019 -14.842  23.912  1.00 20.13           O  
-ATOM  17106  CB  SER K  67      63.952 -12.682  25.436  1.00 21.35           C  
-ATOM  17107  OG  SER K  67      64.728 -13.753  25.958  1.00 21.60           O  
-ATOM  17108  N   SER K  68      60.961 -14.848  24.819  1.00 21.82           N  
-ATOM  17109  CA  SER K  68      60.560 -16.066  24.109  1.00 22.89           C  
-ATOM  17110  C   SER K  68      60.662 -15.844  22.596  1.00 23.48           C  
-ATOM  17111  O   SER K  68      61.375 -16.576  21.897  1.00 23.42           O  
-ATOM  17112  CB  SER K  68      59.156 -16.533  24.534  1.00 22.80           C  
-ATOM  17113  OG  SER K  68      59.216 -17.198  25.791  1.00 21.73           O  
-ATOM  17114  N   HIS K  69      59.998 -14.802  22.101  1.00 23.92           N  
-ATOM  17115  CA  HIS K  69      60.136 -14.464  20.689  1.00 24.42           C  
-ATOM  17116  C   HIS K  69      60.749 -13.070  20.472  1.00 24.31           C  
-ATOM  17117  O   HIS K  69      60.371 -12.316  19.562  1.00 25.00           O  
-ATOM  17118  CB  HIS K  69      58.814 -14.703  19.962  1.00 24.61           C  
-ATOM  17119  CG  HIS K  69      58.345 -16.126  20.055  1.00 25.99           C  
-ATOM  17120  ND1 HIS K  69      58.706 -17.094  19.139  1.00 27.45           N  
-ATOM  17121  CD2 HIS K  69      57.584 -16.755  20.985  1.00 26.21           C  
-ATOM  17122  CE1 HIS K  69      58.175 -18.252  19.491  1.00 27.16           C  
-ATOM  17123  NE2 HIS K  69      57.490 -18.074  20.608  1.00 26.61           N  
-ATOM  17124  N   SER K  70      61.730 -12.754  21.308  1.00 22.77           N  
-ATOM  17125  CA  SER K  70      62.402 -11.466  21.238  1.00 22.29           C  
-ATOM  17126  C   SER K  70      63.910 -11.633  21.361  1.00 21.91           C  
-ATOM  17127  O   SER K  70      64.373 -12.676  21.838  1.00 21.76           O  
-ATOM  17128  CB  SER K  70      61.894 -10.554  22.355  1.00 22.13           C  
-ATOM  17129  OG  SER K  70      60.486 -10.384  22.256  1.00 22.79           O  
-ATOM  17130  N   PRO K  71      64.672 -10.632  20.906  1.00 21.48           N  
-ATOM  17131  CA  PRO K  71      66.106 -10.568  21.191  1.00 21.27           C  
-ATOM  17132  C   PRO K  71      66.332 -10.716  22.687  1.00 20.92           C  
-ATOM  17133  O   PRO K  71      65.555 -10.178  23.472  1.00 20.42           O  
-ATOM  17134  CB  PRO K  71      66.475  -9.139  20.770  1.00 21.30           C  
-ATOM  17135  CG  PRO K  71      65.492  -8.782  19.717  1.00 21.45           C  
-ATOM  17136  CD  PRO K  71      64.227  -9.498  20.069  1.00 21.55           C  
-ATOM  17137  N   ASP K  72      67.362 -11.447  23.083  1.00 20.75           N  
-ATOM  17138  CA  ASP K  72      67.545 -11.699  24.507  1.00 21.52           C  
-ATOM  17139  C   ASP K  72      68.666 -10.879  25.149  1.00 20.26           C  
-ATOM  17140  O   ASP K  72      68.941 -11.049  26.336  1.00 20.19           O  
-ATOM  17141  CB  ASP K  72      67.713 -13.200  24.781  1.00 22.68           C  
-ATOM  17142  CG  ASP K  72      69.106 -13.675  24.514  1.00 26.38           C  
-ATOM  17143  OD1 ASP K  72      69.679 -13.255  23.479  1.00 29.94           O  
-ATOM  17144  OD2 ASP K  72      69.704 -14.455  25.299  1.00 31.55           O  
-ATOM  17145  N   GLN K  73      69.288  -9.995  24.358  1.00 18.72           N  
-ATOM  17146  CA  GLN K  73      70.283  -9.048  24.841  1.00 17.65           C  
-ATOM  17147  C   GLN K  73      70.196  -7.722  24.099  1.00 16.50           C  
-ATOM  17148  O   GLN K  73      69.914  -7.696  22.904  1.00 15.42           O  
-ATOM  17149  CB  GLN K  73      71.684  -9.583  24.640  1.00 17.82           C  
-ATOM  17150  CG  GLN K  73      72.126 -10.580  25.640  1.00 20.51           C  
-ATOM  17151  CD  GLN K  73      73.596 -10.924  25.522  1.00 22.53           C  
-ATOM  17152  OE1 GLN K  73      74.455 -10.040  25.412  1.00 24.12           O  
-ATOM  17153  NE2 GLN K  73      73.899 -12.215  25.570  1.00 20.41           N  
-ATOM  17154  N   VAL K  74      70.473  -6.627  24.815  1.00 15.21           N  
-ATOM  17155  CA  VAL K  74      70.613  -5.309  24.176  1.00 14.60           C  
-ATOM  17156  C   VAL K  74      71.757  -4.494  24.783  1.00 14.84           C  
-ATOM  17157  O   VAL K  74      72.143  -4.704  25.955  1.00 13.94           O  
-ATOM  17158  CB  VAL K  74      69.311  -4.460  24.268  1.00 14.81           C  
-ATOM  17159  CG1 VAL K  74      68.201  -5.038  23.408  1.00 13.94           C  
-ATOM  17160  CG2 VAL K  74      68.847  -4.290  25.735  1.00 12.76           C  
-ATOM  17161  N   SER K  75      72.286  -3.565  23.998  1.00 14.43           N  
-ATOM  17162  CA  SER K  75      73.219  -2.566  24.543  1.00 15.22           C  
-ATOM  17163  C   SER K  75      72.449  -1.296  25.016  1.00 15.67           C  
-ATOM  17164  O   SER K  75      71.633  -0.756  24.301  1.00 16.15           O  
-ATOM  17165  CB  SER K  75      74.253  -2.158  23.517  1.00 15.04           C  
-ATOM  17166  OG  SER K  75      75.001  -3.243  23.065  1.00 14.65           O  
-ATOM  17167  N   VAL K  76      72.726  -0.844  26.220  1.00 15.56           N  
-ATOM  17168  CA  VAL K  76      71.962   0.213  26.850  1.00 15.77           C  
-ATOM  17169  C   VAL K  76      72.941   1.256  27.374  1.00 16.07           C  
-ATOM  17170  O   VAL K  76      73.899   0.903  28.009  1.00 15.48           O  
-ATOM  17171  CB  VAL K  76      71.141  -0.337  28.026  1.00 16.12           C  
-ATOM  17172  CG1 VAL K  76      70.318   0.745  28.677  1.00 14.57           C  
-ATOM  17173  CG2 VAL K  76      70.268  -1.545  27.604  1.00 14.64           C  
-ATOM  17174  N   PRO K  77      72.712   2.539  27.101  1.00 16.95           N  
-ATOM  17175  CA  PRO K  77      73.559   3.611  27.694  1.00 17.28           C  
-ATOM  17176  C   PRO K  77      73.501   3.470  29.215  1.00 17.19           C  
-ATOM  17177  O   PRO K  77      72.436   3.188  29.735  1.00 16.89           O  
-ATOM  17178  CB  PRO K  77      72.876   4.914  27.238  1.00 17.24           C  
-ATOM  17179  CG  PRO K  77      71.992   4.518  26.094  1.00 18.02           C  
-ATOM  17180  CD  PRO K  77      71.649   3.059  26.228  1.00 17.03           C  
-ATOM  17181  N   ILE K  78      74.619   3.595  29.905  1.00 17.93           N  
-ATOM  17182  CA  ILE K  78      74.614   3.466  31.370  1.00 19.42           C  
-ATOM  17183  C   ILE K  78      73.820   4.564  32.097  1.00 20.06           C  
-ATOM  17184  O   ILE K  78      73.407   4.386  33.238  1.00 20.49           O  
-ATOM  17185  CB  ILE K  78      76.056   3.357  31.954  1.00 19.77           C  
-ATOM  17186  CG1 ILE K  78      76.875   4.627  31.705  1.00 20.71           C  
-ATOM  17187  CG2 ILE K  78      76.733   2.165  31.386  1.00 18.82           C  
-ATOM  17188  CD1 ILE K  78      78.119   4.780  32.602  1.00 23.34           C  
-ATOM  17189  N   SER K  79      73.587   5.684  31.429  1.00 20.19           N  
-ATOM  17190  CA  SER K  79      72.710   6.737  31.947  1.00 21.51           C  
-ATOM  17191  C   SER K  79      71.255   6.263  32.092  1.00 20.99           C  
-ATOM  17192  O   SER K  79      70.483   6.833  32.856  1.00 20.63           O  
-ATOM  17193  CB  SER K  79      72.792   8.010  31.069  1.00 21.60           C  
-ATOM  17194  OG  SER K  79      72.090   7.795  29.863  1.00 24.24           O  
-ATOM  17195  N   SER K  80      70.891   5.200  31.382  1.00 20.69           N  
-ATOM  17196  CA  SER K  80      69.564   4.624  31.572  1.00 20.82           C  
-ATOM  17197  C   SER K  80      69.540   3.480  32.600  1.00 20.51           C  
-ATOM  17198  O   SER K  80      68.507   2.860  32.789  1.00 21.13           O  
-ATOM  17199  CB  SER K  80      69.031   4.120  30.241  1.00 20.93           C  
-ATOM  17200  OG  SER K  80      68.850   5.196  29.349  1.00 24.11           O  
-ATOM  17201  N   LEU K  81      70.659   3.202  33.265  1.00 19.93           N  
-ATOM  17202  CA  LEU K  81      70.766   2.024  34.151  1.00 19.66           C  
-ATOM  17203  C   LEU K  81      71.294   2.432  35.512  1.00 18.71           C  
-ATOM  17204  O   LEU K  81      72.117   3.309  35.604  1.00 17.88           O  
-ATOM  17205  CB  LEU K  81      71.776   1.020  33.582  1.00 20.22           C  
-ATOM  17206  CG  LEU K  81      71.496   0.268  32.281  1.00 21.92           C  
-ATOM  17207  CD1 LEU K  81      72.570  -0.758  32.042  1.00 22.54           C  
-ATOM  17208  CD2 LEU K  81      70.143  -0.420  32.331  1.00 24.23           C  
-ATOM  17209  N   TRP K  82      70.848   1.777  36.571  1.00 17.81           N  
-ATOM  17210  CA  TRP K  82      71.652   1.801  37.788  1.00 17.61           C  
-ATOM  17211  C   TRP K  82      72.970   1.053  37.577  1.00 17.59           C  
-ATOM  17212  O   TRP K  82      72.991  -0.059  37.025  1.00 17.82           O  
-ATOM  17213  CB  TRP K  82      70.924   1.180  38.977  1.00 16.88           C  
-ATOM  17214  CG  TRP K  82      71.781   1.184  40.265  1.00 17.40           C  
-ATOM  17215  CD1 TRP K  82      71.844   2.173  41.203  1.00 15.93           C  
-ATOM  17216  CD2 TRP K  82      72.653   0.138  40.730  1.00 15.68           C  
-ATOM  17217  NE1 TRP K  82      72.692   1.812  42.219  1.00 16.43           N  
-ATOM  17218  CE2 TRP K  82      73.218   0.576  41.945  1.00 16.90           C  
-ATOM  17219  CE3 TRP K  82      73.030  -1.107  40.226  1.00 15.24           C  
-ATOM  17220  CZ2 TRP K  82      74.103  -0.202  42.684  1.00 15.28           C  
-ATOM  17221  CZ3 TRP K  82      73.919  -1.883  40.950  1.00 15.62           C  
-ATOM  17222  CH2 TRP K  82      74.434  -1.436  42.177  1.00 16.17           C  
-ATOM  17223  N   VAL K  83      74.044   1.662  38.054  1.00 17.89           N  
-ATOM  17224  CA  VAL K  83      75.407   1.155  37.910  1.00 18.57           C  
-ATOM  17225  C   VAL K  83      76.062   1.233  39.290  1.00 18.42           C  
-ATOM  17226  O   VAL K  83      75.863   2.220  40.004  1.00 18.60           O  
-ATOM  17227  CB  VAL K  83      76.181   2.016  36.866  1.00 19.22           C  
-ATOM  17228  CG1 VAL K  83      77.640   1.776  36.935  1.00 21.05           C  
-ATOM  17229  CG2 VAL K  83      75.668   1.752  35.418  1.00 19.42           C  
-ATOM  17230  N   PRO K  84      76.797   0.200  39.711  1.00 18.57           N  
-ATOM  17231  CA  PRO K  84      77.441   0.260  41.041  1.00 18.85           C  
-ATOM  17232  C   PRO K  84      78.403   1.469  41.156  1.00 18.19           C  
-ATOM  17233  O   PRO K  84      79.137   1.768  40.217  1.00 17.91           O  
-ATOM  17234  CB  PRO K  84      78.175  -1.088  41.188  1.00 18.39           C  
-ATOM  17235  CG  PRO K  84      77.970  -1.842  39.896  1.00 19.35           C  
-ATOM  17236  CD  PRO K  84      77.060  -1.059  38.994  1.00 18.62           C  
-ATOM  17237  N   ASP K  85      78.365   2.154  42.296  1.00 17.59           N  
-ATOM  17238  CA  ASP K  85      79.207   3.319  42.558  1.00 17.47           C  
-ATOM  17239  C   ASP K  85      80.621   2.895  43.021  1.00 17.20           C  
-ATOM  17240  O   ASP K  85      81.067   3.264  44.101  1.00 17.07           O  
-ATOM  17241  CB  ASP K  85      78.536   4.222  43.608  1.00 16.94           C  
-ATOM  17242  CG  ASP K  85      78.409   3.541  44.975  1.00 19.30           C  
-ATOM  17243  OD1 ASP K  85      78.219   2.302  45.005  1.00 18.79           O  
-ATOM  17244  OD2 ASP K  85      78.497   4.135  46.077  1.00 20.02           O  
-ATOM  17245  N   LEU K  86      81.311   2.119  42.197  1.00 17.05           N  
-ATOM  17246  CA  LEU K  86      82.633   1.610  42.503  1.00 17.09           C  
-ATOM  17247  C   LEU K  86      83.688   2.694  42.373  1.00 17.53           C  
-ATOM  17248  O   LEU K  86      83.644   3.521  41.453  1.00 17.94           O  
-ATOM  17249  CB  LEU K  86      82.986   0.482  41.542  1.00 17.12           C  
-ATOM  17250  CG  LEU K  86      82.090  -0.770  41.623  1.00 17.55           C  
-ATOM  17251  CD1 LEU K  86      82.571  -1.806  40.603  1.00 17.81           C  
-ATOM  17252  CD2 LEU K  86      82.069  -1.404  43.041  1.00 15.80           C  
-ATOM  17253  N   ALA K  87      84.652   2.682  43.286  1.00 17.19           N  
-ATOM  17254  CA  ALA K  87      85.797   3.575  43.194  1.00 17.23           C  
-ATOM  17255  C   ALA K  87      87.082   2.840  43.546  1.00 17.44           C  
-ATOM  17256  O   ALA K  87      87.070   1.911  44.350  1.00 17.35           O  
-ATOM  17257  CB  ALA K  87      85.600   4.756  44.134  1.00 17.20           C  
-ATOM  17258  N   ALA K  88      88.196   3.250  42.939  1.00 17.59           N  
-ATOM  17259  CA  ALA K  88      89.502   2.751  43.367  1.00 17.48           C  
-ATOM  17260  C   ALA K  88      90.028   3.641  44.465  1.00 17.49           C  
-ATOM  17261  O   ALA K  88      90.264   4.818  44.245  1.00 17.65           O  
-ATOM  17262  CB  ALA K  88      90.466   2.696  42.210  1.00 17.93           C  
-ATOM  17263  N   TYR K  89      90.219   3.063  45.649  1.00 17.16           N  
-ATOM  17264  CA  TYR K  89      90.597   3.796  46.838  1.00 17.12           C  
-ATOM  17265  C   TYR K  89      91.987   4.434  46.802  1.00 17.12           C  
-ATOM  17266  O   TYR K  89      92.228   5.427  47.523  1.00 17.37           O  
-ATOM  17267  CB  TYR K  89      90.557   2.874  48.054  1.00 17.24           C  
-ATOM  17268  CG  TYR K  89      89.200   2.674  48.655  1.00 18.19           C  
-ATOM  17269  CD1 TYR K  89      88.190   2.049  47.932  1.00 18.97           C  
-ATOM  17270  CD2 TYR K  89      88.925   3.083  49.968  1.00 18.68           C  
-ATOM  17271  CE1 TYR K  89      86.903   1.834  48.507  1.00 21.64           C  
-ATOM  17272  CE2 TYR K  89      87.648   2.861  50.555  1.00 19.59           C  
-ATOM  17273  CZ  TYR K  89      86.653   2.244  49.817  1.00 22.47           C  
-ATOM  17274  OH  TYR K  89      85.405   2.038  50.379  1.00 24.82           O  
-ATOM  17275  N   ASN K  90      92.894   3.863  46.010  1.00 15.79           N  
-ATOM  17276  CA  ASN K  90      94.239   4.398  45.872  1.00 15.75           C  
-ATOM  17277  C   ASN K  90      94.445   5.060  44.512  1.00 15.55           C  
-ATOM  17278  O   ASN K  90      95.570   5.279  44.100  1.00 15.46           O  
-ATOM  17279  CB  ASN K  90      95.313   3.334  46.156  1.00 15.24           C  
-ATOM  17280  CG  ASN K  90      95.180   2.109  45.255  1.00 16.43           C  
-ATOM  17281  OD1 ASN K  90      94.072   1.641  44.967  1.00 16.06           O  
-ATOM  17282  ND2 ASN K  90      96.316   1.600  44.789  1.00 14.89           N  
-ATOM  17283  N   ALA K  91      93.355   5.397  43.828  1.00 15.28           N  
-ATOM  17284  CA  ALA K  91      93.478   6.149  42.589  1.00 15.63           C  
-ATOM  17285  C   ALA K  91      93.851   7.587  42.910  1.00 15.60           C  
-ATOM  17286  O   ALA K  91      93.375   8.153  43.909  1.00 15.11           O  
-ATOM  17287  CB  ALA K  91      92.177   6.087  41.791  1.00 15.81           C  
-ATOM  17288  N   ILE K  92      94.716   8.166  42.083  1.00 15.88           N  
-ATOM  17289  CA  ILE K  92      95.141   9.556  42.284  1.00 16.40           C  
-ATOM  17290  C   ILE K  92      94.764  10.418  41.079  1.00 17.18           C  
-ATOM  17291  O   ILE K  92      95.178  11.572  40.971  1.00 16.89           O  
-ATOM  17292  CB  ILE K  92      96.665   9.634  42.573  1.00 16.76           C  
-ATOM  17293  CG1 ILE K  92      97.467   8.951  41.441  1.00 16.33           C  
-ATOM  17294  CG2 ILE K  92      96.983   9.036  43.971  1.00 15.78           C  
-ATOM  17295  CD1 ILE K  92      98.965   9.182  41.507  1.00 16.04           C  
-ATOM  17296  N   SER K  93      93.991   9.850  40.160  1.00 17.68           N  
-ATOM  17297  CA  SER K  93      93.390  10.643  39.073  1.00 18.94           C  
-ATOM  17298  C   SER K  93      91.983  10.092  38.879  1.00 19.67           C  
-ATOM  17299  O   SER K  93      91.701   8.962  39.297  1.00 19.41           O  
-ATOM  17300  CB  SER K  93      94.190  10.513  37.782  1.00 18.56           C  
-ATOM  17301  OG  SER K  93      94.100   9.202  37.266  1.00 19.24           O  
-ATOM  17302  N   LYS K  94      91.072  10.847  38.283  1.00 21.64           N  
-ATOM  17303  CA  LYS K  94      89.778  10.199  38.064  1.00 24.45           C  
-ATOM  17304  C   LYS K  94      89.856   9.234  36.881  1.00 24.25           C  
-ATOM  17305  O   LYS K  94      90.722   9.380  36.008  1.00 24.50           O  
-ATOM  17306  CB  LYS K  94      88.564  11.159  38.055  1.00 26.38           C  
-ATOM  17307  CG  LYS K  94      88.470  12.177  36.973  1.00 29.66           C  
-ATOM  17308  CD  LYS K  94      87.361  13.202  37.331  1.00 35.79           C  
-ATOM  17309  CE  LYS K  94      85.987  12.802  36.757  1.00 39.88           C  
-ATOM  17310  NZ  LYS K  94      85.675  13.534  35.481  1.00 41.13           N  
-ATOM  17311  N   PRO K  95      89.038   8.191  36.903  1.00 24.52           N  
-ATOM  17312  CA  PRO K  95      88.993   7.261  35.775  1.00 23.95           C  
-ATOM  17313  C   PRO K  95      88.709   7.995  34.449  1.00 23.71           C  
-ATOM  17314  O   PRO K  95      87.783   8.784  34.313  1.00 24.19           O  
-ATOM  17315  CB  PRO K  95      87.863   6.300  36.153  1.00 24.24           C  
-ATOM  17316  CG  PRO K  95      87.113   6.962  37.262  1.00 24.71           C  
-ATOM  17317  CD  PRO K  95      88.094   7.817  37.971  1.00 25.16           C  
-ATOM  17318  N   GLU K  96      89.581   7.785  33.487  1.00 22.80           N  
-ATOM  17319  CA  GLU K  96      89.343   8.226  32.131  1.00 23.03           C  
-ATOM  17320  C   GLU K  96      88.753   7.004  31.370  1.00 22.16           C  
-ATOM  17321  O   GLU K  96      89.442   5.992  31.124  1.00 21.61           O  
-ATOM  17322  CB  GLU K  96      90.673   8.695  31.532  1.00 23.70           C  
-ATOM  17323  CG  GLU K  96      90.630   9.429  30.188  1.00 28.30           C  
-ATOM  17324  CD  GLU K  96      92.032   9.847  29.702  1.00 34.96           C  
-ATOM  17325  OE1 GLU K  96      92.931  10.075  30.557  1.00 37.98           O  
-ATOM  17326  OE2 GLU K  96      92.255   9.964  28.465  1.00 38.19           O  
-ATOM  17327  N   VAL K  97      87.470   7.092  31.041  1.00 20.94           N  
-ATOM  17328  CA  VAL K  97      86.797   6.046  30.310  1.00 19.90           C  
-ATOM  17329  C   VAL K  97      87.064   6.203  28.818  1.00 19.81           C  
-ATOM  17330  O   VAL K  97      86.710   7.217  28.207  1.00 19.31           O  
-ATOM  17331  CB  VAL K  97      85.270   6.057  30.591  1.00 20.45           C  
-ATOM  17332  CG1 VAL K  97      84.576   4.911  29.873  1.00 18.90           C  
-ATOM  17333  CG2 VAL K  97      84.947   6.028  32.143  1.00 19.09           C  
-ATOM  17334  N   LEU K  98      87.674   5.194  28.220  1.00 19.16           N  
-ATOM  17335  CA  LEU K  98      88.136   5.307  26.826  1.00 19.29           C  
-ATOM  17336  C   LEU K  98      87.110   4.777  25.801  1.00 19.05           C  
-ATOM  17337  O   LEU K  98      87.203   5.069  24.614  1.00 19.50           O  
-ATOM  17338  CB  LEU K  98      89.477   4.571  26.653  1.00 19.42           C  
-ATOM  17339  CG  LEU K  98      90.606   4.909  27.638  1.00 20.16           C  
-ATOM  17340  CD1 LEU K  98      91.762   3.965  27.388  1.00 19.40           C  
-ATOM  17341  CD2 LEU K  98      91.081   6.357  27.536  1.00 20.15           C  
-ATOM  17342  N   THR K  99      86.101   4.056  26.274  1.00 18.46           N  
-ATOM  17343  CA  THR K  99      85.180   3.371  25.378  1.00 18.18           C  
-ATOM  17344  C   THR K  99      83.752   3.904  25.478  1.00 18.41           C  
-ATOM  17345  O   THR K  99      83.418   4.558  26.453  1.00 18.90           O  
-ATOM  17346  CB  THR K  99      85.183   1.885  25.731  1.00 18.14           C  
-ATOM  17347  OG1 THR K  99      85.240   1.762  27.151  1.00 16.99           O  
-ATOM  17348  CG2 THR K  99      86.491   1.247  25.282  1.00 16.79           C  
-ATOM  17349  N   PRO K 100      82.909   3.629  24.481  1.00 18.75           N  
-ATOM  17350  CA  PRO K 100      81.487   4.016  24.560  1.00 18.64           C  
-ATOM  17351  C   PRO K 100      80.851   3.499  25.845  1.00 19.21           C  
-ATOM  17352  O   PRO K 100      81.042   2.336  26.237  1.00 18.78           O  
-ATOM  17353  CB  PRO K 100      80.860   3.346  23.337  1.00 18.65           C  
-ATOM  17354  CG  PRO K 100      82.009   3.207  22.364  1.00 19.11           C  
-ATOM  17355  CD  PRO K 100      83.244   2.975  23.195  1.00 18.11           C  
-ATOM  17356  N   GLN K 101      80.088   4.365  26.503  1.00 19.05           N  
-ATOM  17357  CA  GLN K 101      79.554   4.010  27.810  1.00 19.94           C  
-ATOM  17358  C   GLN K 101      78.224   3.246  27.730  1.00 19.31           C  
-ATOM  17359  O   GLN K 101      77.188   3.759  28.128  1.00 19.39           O  
-ATOM  17360  CB  GLN K 101      79.475   5.261  28.691  1.00 20.00           C  
-ATOM  17361  CG  GLN K 101      80.896   5.767  29.054  1.00 24.00           C  
-ATOM  17362  CD  GLN K 101      80.899   7.106  29.797  1.00 29.02           C  
-ATOM  17363  OE1 GLN K 101      80.160   7.282  30.771  1.00 31.84           O  
-ATOM  17364  NE2 GLN K 101      81.736   8.043  29.346  1.00 29.19           N  
-ATOM  17365  N   LEU K 102      78.294   2.023  27.210  1.00 18.56           N  
-ATOM  17366  CA  LEU K 102      77.135   1.146  27.022  1.00 18.00           C  
-ATOM  17367  C   LEU K 102      77.342  -0.159  27.790  1.00 17.60           C  
-ATOM  17368  O   LEU K 102      78.427  -0.738  27.775  1.00 16.43           O  
-ATOM  17369  CB  LEU K 102      76.925   0.811  25.532  1.00 18.23           C  
-ATOM  17370  CG  LEU K 102      76.895   1.944  24.489  1.00 20.67           C  
-ATOM  17371  CD1 LEU K 102      76.874   1.368  23.070  1.00 21.73           C  
-ATOM  17372  CD2 LEU K 102      75.691   2.801  24.706  1.00 20.44           C  
-ATOM  17373  N   ALA K 103      76.285  -0.612  28.452  1.00 16.68           N  
-ATOM  17374  CA  ALA K 103      76.289  -1.893  29.132  1.00 16.86           C  
-ATOM  17375  C   ALA K 103      75.466  -2.843  28.277  1.00 17.23           C  
-ATOM  17376  O   ALA K 103      74.581  -2.422  27.529  1.00 17.76           O  
-ATOM  17377  CB  ALA K 103      75.668  -1.768  30.484  1.00 16.35           C  
-ATOM  17378  N   ARG K 104      75.790  -4.114  28.380  1.00 16.79           N  
-ATOM  17379  CA  ARG K 104      75.050  -5.170  27.745  1.00 16.43           C  
-ATOM  17380  C   ARG K 104      74.054  -5.740  28.746  1.00 15.90           C  
-ATOM  17381  O   ARG K 104      74.428  -6.094  29.840  1.00 16.45           O  
-ATOM  17382  CB  ARG K 104      76.038  -6.224  27.275  1.00 16.36           C  
-ATOM  17383  CG  ARG K 104      75.499  -7.099  26.206  1.00 18.05           C  
-ATOM  17384  CD  ARG K 104      75.336  -6.465  24.832  1.00 17.92           C  
-ATOM  17385  NE  ARG K 104      74.800  -7.488  23.955  1.00 16.63           N  
-ATOM  17386  CZ  ARG K 104      74.303  -7.296  22.756  1.00 17.49           C  
-ATOM  17387  NH1 ARG K 104      74.262  -6.082  22.243  1.00 14.03           N  
-ATOM  17388  NH2 ARG K 104      73.829  -8.329  22.068  1.00 14.65           N  
-ATOM  17389  N   VAL K 105      72.776  -5.776  28.390  1.00 15.27           N  
-ATOM  17390  CA  VAL K 105      71.741  -6.212  29.319  1.00 14.94           C  
-ATOM  17391  C   VAL K 105      71.073  -7.467  28.733  1.00 15.04           C  
-ATOM  17392  O   VAL K 105      70.643  -7.446  27.605  1.00 14.58           O  
-ATOM  17393  CB  VAL K 105      70.689  -5.080  29.572  1.00 15.20           C  
-ATOM  17394  CG1 VAL K 105      69.517  -5.573  30.444  1.00 14.51           C  
-ATOM  17395  CG2 VAL K 105      71.353  -3.828  30.208  1.00 14.66           C  
-ATOM  17396  N   VAL K 106      71.031  -8.542  29.508  1.00 14.72           N  
-ATOM  17397  CA  VAL K 106      70.387  -9.795  29.102  1.00 14.98           C  
-ATOM  17398  C   VAL K 106      68.932  -9.788  29.591  1.00 14.85           C  
-ATOM  17399  O   VAL K 106      68.628  -9.148  30.601  1.00 14.77           O  
-ATOM  17400  CB  VAL K 106      71.161 -11.017  29.671  1.00 15.23           C  
-ATOM  17401  CG1 VAL K 106      70.587 -12.370  29.158  1.00 13.85           C  
-ATOM  17402  CG2 VAL K 106      72.669 -10.912  29.346  1.00 15.63           C  
-ATOM  17403  N   SER K 107      68.044 -10.484  28.887  1.00 14.99           N  
-ATOM  17404  CA  SER K 107      66.615 -10.531  29.221  1.00 15.65           C  
-ATOM  17405  C   SER K 107      66.250 -11.000  30.641  1.00 16.08           C  
-ATOM  17406  O   SER K 107      65.152 -10.745  31.107  1.00 15.73           O  
-ATOM  17407  CB  SER K 107      65.840 -11.362  28.200  1.00 15.66           C  
-ATOM  17408  OG  SER K 107      66.112 -12.754  28.327  1.00 15.06           O  
-ATOM  17409  N   ASP K 108      67.157 -11.677  31.328  1.00 16.99           N  
-ATOM  17410  CA  ASP K 108      66.878 -12.075  32.717  1.00 18.15           C  
-ATOM  17411  C   ASP K 108      67.307 -10.985  33.723  1.00 18.01           C  
-ATOM  17412  O   ASP K 108      67.136 -11.119  34.930  1.00 17.91           O  
-ATOM  17413  CB  ASP K 108      67.493 -13.450  33.048  1.00 18.45           C  
-ATOM  17414  CG  ASP K 108      69.023 -13.455  32.985  1.00 21.68           C  
-ATOM  17415  OD1 ASP K 108      69.636 -12.383  32.746  1.00 23.53           O  
-ATOM  17416  OD2 ASP K 108      69.705 -14.489  33.171  1.00 24.66           O  
-ATOM  17417  N   GLY K 109      67.855  -9.882  33.213  1.00 17.94           N  
-ATOM  17418  CA  GLY K 109      68.310  -8.823  34.089  1.00 17.82           C  
-ATOM  17419  C   GLY K 109      69.802  -8.797  34.412  1.00 18.00           C  
-ATOM  17420  O   GLY K 109      70.259  -7.909  35.143  1.00 18.22           O  
-ATOM  17421  N   GLU K 110      70.573  -9.729  33.865  1.00 17.79           N  
-ATOM  17422  CA  GLU K 110      72.020  -9.692  34.052  1.00 18.67           C  
-ATOM  17423  C   GLU K 110      72.594  -8.538  33.254  1.00 17.86           C  
-ATOM  17424  O   GLU K 110      72.206  -8.315  32.099  1.00 17.55           O  
-ATOM  17425  CB  GLU K 110      72.691 -10.985  33.591  1.00 19.07           C  
-ATOM  17426  CG  GLU K 110      72.452 -12.216  34.478  1.00 24.71           C  
-ATOM  17427  CD  GLU K 110      72.796 -12.007  35.952  1.00 31.05           C  
-ATOM  17428  OE1 GLU K 110      73.948 -11.626  36.277  1.00 33.24           O  
-ATOM  17429  OE2 GLU K 110      71.894 -12.221  36.788  1.00 34.18           O  
-ATOM  17430  N   VAL K 111      73.522  -7.819  33.865  1.00 17.06           N  
-ATOM  17431  CA  VAL K 111      74.173  -6.695  33.210  1.00 16.40           C  
-ATOM  17432  C   VAL K 111      75.686  -6.894  33.195  1.00 16.66           C  
-ATOM  17433  O   VAL K 111      76.265  -7.308  34.190  1.00 15.69           O  
-ATOM  17434  CB  VAL K 111      73.873  -5.362  33.956  1.00 16.43           C  
-ATOM  17435  CG1 VAL K 111      74.475  -4.149  33.199  1.00 15.57           C  
-ATOM  17436  CG2 VAL K 111      72.380  -5.196  34.212  1.00 14.72           C  
-ATOM  17437  N   LEU K 112      76.305  -6.583  32.056  1.00 16.69           N  
-ATOM  17438  CA  LEU K 112      77.744  -6.522  31.914  1.00 16.93           C  
-ATOM  17439  C   LEU K 112      78.120  -5.104  31.447  1.00 17.42           C  
-ATOM  17440  O   LEU K 112      77.679  -4.661  30.375  1.00 16.38           O  
-ATOM  17441  CB  LEU K 112      78.222  -7.516  30.866  1.00 17.11           C  
-ATOM  17442  CG  LEU K 112      79.699  -7.442  30.417  1.00 19.12           C  
-ATOM  17443  CD1 LEU K 112      80.648  -7.676  31.575  1.00 16.80           C  
-ATOM  17444  CD2 LEU K 112      79.998  -8.498  29.308  1.00 20.21           C  
-ATOM  17445  N   TYR K 113      78.926  -4.425  32.257  1.00 17.15           N  
-ATOM  17446  CA  TYR K 113      79.503  -3.152  31.899  1.00 17.89           C  
-ATOM  17447  C   TYR K 113      81.032  -3.329  31.961  1.00 17.61           C  
-ATOM  17448  O   TYR K 113      81.586  -3.681  33.009  1.00 17.55           O  
-ATOM  17449  CB  TYR K 113      79.002  -2.045  32.843  1.00 17.77           C  
-ATOM  17450  CG  TYR K 113      79.556  -0.687  32.493  1.00 19.29           C  
-ATOM  17451  CD1 TYR K 113      79.574  -0.237  31.163  1.00 20.26           C  
-ATOM  17452  CD2 TYR K 113      80.084   0.137  33.466  1.00 20.37           C  
-ATOM  17453  CE1 TYR K 113      80.098   1.011  30.832  1.00 22.18           C  
-ATOM  17454  CE2 TYR K 113      80.615   1.406  33.133  1.00 20.22           C  
-ATOM  17455  CZ  TYR K 113      80.617   1.830  31.817  1.00 22.84           C  
-ATOM  17456  OH  TYR K 113      81.150   3.077  31.471  1.00 26.78           O  
-ATOM  17457  N   MET K 114      81.699  -3.113  30.840  1.00 17.23           N  
-ATOM  17458  CA  MET K 114      83.138  -3.349  30.740  1.00 17.63           C  
-ATOM  17459  C   MET K 114      83.853  -2.193  30.035  1.00 17.29           C  
-ATOM  17460  O   MET K 114      84.290  -2.337  28.882  1.00 16.89           O  
-ATOM  17461  CB  MET K 114      83.413  -4.624  29.982  1.00 17.83           C  
-ATOM  17462  CG  MET K 114      84.855  -5.147  30.123  1.00 21.05           C  
-ATOM  17463  SD  MET K 114      85.113  -7.007  29.659  1.00 27.92           S  
-ATOM  17464  CE  MET K 114      83.516  -7.478  29.357  1.00 26.71           C  
-ATOM  17465  N   PRO K 115      83.970  -1.055  30.706  1.00 16.86           N  
-ATOM  17466  CA  PRO K 115      84.653   0.104  30.108  1.00 16.81           C  
-ATOM  17467  C   PRO K 115      86.171  -0.109  30.084  1.00 17.00           C  
-ATOM  17468  O   PRO K 115      86.701  -0.801  30.947  1.00 17.06           O  
-ATOM  17469  CB  PRO K 115      84.297   1.242  31.071  1.00 16.68           C  
-ATOM  17470  CG  PRO K 115      84.070   0.558  32.405  1.00 16.70           C  
-ATOM  17471  CD  PRO K 115      83.459  -0.770  32.064  1.00 16.78           C  
-ATOM  17472  N   SER K 116      86.860   0.440  29.094  1.00 16.82           N  
-ATOM  17473  CA  SER K 116      88.313   0.548  29.173  1.00 17.18           C  
-ATOM  17474  C   SER K 116      88.664   1.842  29.918  1.00 16.96           C  
-ATOM  17475  O   SER K 116      88.199   2.915  29.566  1.00 17.14           O  
-ATOM  17476  CB  SER K 116      88.950   0.528  27.783  1.00 17.20           C  
-ATOM  17477  OG  SER K 116      90.373   0.398  27.873  1.00 18.92           O  
-ATOM  17478  N   ILE K 117      89.488   1.735  30.940  1.00 17.39           N  
-ATOM  17479  CA  ILE K 117      89.779   2.856  31.815  1.00 17.85           C  
-ATOM  17480  C   ILE K 117      91.277   3.147  31.879  1.00 17.94           C  
-ATOM  17481  O   ILE K 117      92.121   2.240  32.030  1.00 17.57           O  
-ATOM  17482  CB  ILE K 117      89.186   2.583  33.234  1.00 18.22           C  
-ATOM  17483  CG1 ILE K 117      87.653   2.541  33.149  1.00 19.94           C  
-ATOM  17484  CG2 ILE K 117      89.710   3.594  34.277  1.00 18.01           C  
-ATOM  17485  CD1 ILE K 117      86.942   2.435  34.456  1.00 21.25           C  
-ATOM  17486  N   ARG K 118      91.617   4.427  31.746  1.00 17.82           N  
-ATOM  17487  CA  ARG K 118      92.957   4.850  32.068  1.00 17.81           C  
-ATOM  17488  C   ARG K 118      92.928   5.575  33.377  1.00 17.59           C  
-ATOM  17489  O   ARG K 118      92.127   6.484  33.562  1.00 17.57           O  
-ATOM  17490  CB  ARG K 118      93.546   5.740  30.993  1.00 18.32           C  
-ATOM  17491  CG  ARG K 118      95.043   5.994  31.208  1.00 19.64           C  
-ATOM  17492  CD  ARG K 118      95.654   6.957  30.201  1.00 23.33           C  
-ATOM  17493  NE  ARG K 118      97.058   7.182  30.517  1.00 26.29           N  
-ATOM  17494  CZ  ARG K 118      97.984   7.515  29.632  1.00 27.83           C  
-ATOM  17495  NH1 ARG K 118      97.692   7.673  28.339  1.00 27.63           N  
-ATOM  17496  NH2 ARG K 118      99.221   7.701  30.045  1.00 27.45           N  
-ATOM  17497  N   GLN K 119      93.789   5.157  34.299  1.00 17.29           N  
-ATOM  17498  CA  GLN K 119      93.808   5.749  35.641  1.00 17.22           C  
-ATOM  17499  C   GLN K 119      95.188   5.628  36.278  1.00 17.13           C  
-ATOM  17500  O   GLN K 119      95.902   4.653  36.035  1.00 17.03           O  
-ATOM  17501  CB  GLN K 119      92.789   5.043  36.544  1.00 17.10           C  
-ATOM  17502  CG  GLN K 119      92.347   5.876  37.741  1.00 17.80           C  
-ATOM  17503  CD  GLN K 119      91.100   5.381  38.362  1.00 18.18           C  
-ATOM  17504  OE1 GLN K 119      90.772   4.230  38.237  1.00 20.13           O  
-ATOM  17505  NE2 GLN K 119      90.388   6.254  39.033  1.00 18.63           N  
-ATOM  17506  N   ARG K 120      95.541   6.597  37.113  1.00 17.44           N  
-ATOM  17507  CA  ARG K 120      96.761   6.504  37.882  1.00 17.56           C  
-ATOM  17508  C   ARG K 120      96.502   6.048  39.320  1.00 17.14           C  
-ATOM  17509  O   ARG K 120      95.476   6.368  39.902  1.00 16.84           O  
-ATOM  17510  CB  ARG K 120      97.464   7.854  37.854  1.00 18.89           C  
-ATOM  17511  CG  ARG K 120      98.239   8.127  36.569  1.00 20.11           C  
-ATOM  17512  CD  ARG K 120      98.819   9.553  36.518  1.00 23.70           C  
-ATOM  17513  NE  ARG K 120      97.882  10.407  35.783  1.00 28.02           N  
-ATOM  17514  CZ  ARG K 120      97.408  11.581  36.211  1.00 28.06           C  
-ATOM  17515  NH1 ARG K 120      97.803  12.085  37.382  1.00 25.83           N  
-ATOM  17516  NH2 ARG K 120      96.547  12.250  35.447  1.00 27.04           N  
-ATOM  17517  N   PHE K 121      97.428   5.275  39.877  1.00 16.79           N  
-ATOM  17518  CA  PHE K 121      97.307   4.752  41.240  1.00 16.82           C  
-ATOM  17519  C   PHE K 121      98.541   5.127  42.058  1.00 16.36           C  
-ATOM  17520  O   PHE K 121      99.624   5.351  41.514  1.00 16.25           O  
-ATOM  17521  CB  PHE K 121      97.100   3.213  41.227  1.00 17.22           C  
-ATOM  17522  CG  PHE K 121      95.872   2.799  40.479  1.00 18.12           C  
-ATOM  17523  CD1 PHE K 121      94.634   2.786  41.107  1.00 18.91           C  
-ATOM  17524  CD2 PHE K 121      95.935   2.487  39.125  1.00 19.12           C  
-ATOM  17525  CE1 PHE K 121      93.477   2.450  40.402  1.00 18.93           C  
-ATOM  17526  CE2 PHE K 121      94.780   2.133  38.420  1.00 19.94           C  
-ATOM  17527  CZ  PHE K 121      93.546   2.127  39.062  1.00 18.34           C  
-ATOM  17528  N   SER K 122      98.368   5.222  43.361  1.00 16.05           N  
-ATOM  17529  CA  SER K 122      99.499   5.243  44.272  1.00 16.78           C  
-ATOM  17530  C   SER K 122      99.667   3.807  44.791  1.00 17.31           C  
-ATOM  17531  O   SER K 122      98.728   3.245  45.368  1.00 16.78           O  
-ATOM  17532  CB  SER K 122      99.244   6.205  45.426  1.00 16.34           C  
-ATOM  17533  OG  SER K 122     100.055   5.878  46.556  1.00 16.67           O  
-ATOM  17534  N   CYS K 123     100.842   3.215  44.575  1.00 18.13           N  
-ATOM  17535  CA  CYS K 123     101.089   1.846  45.032  1.00 20.02           C  
-ATOM  17536  C   CYS K 123     102.561   1.491  45.021  1.00 19.89           C  
-ATOM  17537  O   CYS K 123     103.413   2.292  44.579  1.00 19.86           O  
-ATOM  17538  CB  CYS K 123     100.291   0.845  44.192  1.00 20.89           C  
-ATOM  17539  SG  CYS K 123     100.712   0.877  42.440  1.00 26.18           S  
-ATOM  17540  N   ASP K 124     102.866   0.298  45.532  1.00 19.89           N  
-ATOM  17541  CA  ASP K 124     104.243  -0.174  45.660  1.00 19.75           C  
-ATOM  17542  C   ASP K 124     104.883  -0.465  44.292  1.00 19.59           C  
-ATOM  17543  O   ASP K 124     104.571  -1.468  43.645  1.00 19.65           O  
-ATOM  17544  CB  ASP K 124     104.283  -1.419  46.542  1.00 19.56           C  
-ATOM  17545  CG  ASP K 124     105.687  -1.699  47.129  1.00 20.57           C  
-ATOM  17546  OD1 ASP K 124     106.683  -0.997  46.787  1.00 19.87           O  
-ATOM  17547  OD2 ASP K 124     105.871  -2.617  47.960  1.00 21.19           O  
-ATOM  17548  N   VAL K 125     105.770   0.425  43.860  1.00 19.30           N  
-ATOM  17549  CA  VAL K 125     106.479   0.258  42.593  1.00 18.96           C  
-ATOM  17550  C   VAL K 125     107.896  -0.349  42.794  1.00 18.81           C  
-ATOM  17551  O   VAL K 125     108.577  -0.697  41.826  1.00 18.58           O  
-ATOM  17552  CB  VAL K 125     106.484   1.582  41.801  1.00 19.14           C  
-ATOM  17553  CG1 VAL K 125     107.270   1.467  40.497  1.00 19.18           C  
-ATOM  17554  CG2 VAL K 125     105.052   2.008  41.488  1.00 18.55           C  
-ATOM  17555  N   SER K 126     108.320  -0.504  44.050  1.00 18.48           N  
-ATOM  17556  CA  SER K 126     109.646  -1.055  44.341  1.00 18.56           C  
-ATOM  17557  C   SER K 126     109.836  -2.434  43.732  1.00 18.30           C  
-ATOM  17558  O   SER K 126     108.913  -3.259  43.730  1.00 18.11           O  
-ATOM  17559  CB  SER K 126     109.958  -1.076  45.855  1.00 18.56           C  
-ATOM  17560  OG  SER K 126     109.166  -2.016  46.552  1.00 19.00           O  
-ATOM  17561  N   GLY K 127     111.029  -2.666  43.193  1.00 18.00           N  
-ATOM  17562  CA  GLY K 127     111.348  -3.919  42.546  1.00 17.68           C  
-ATOM  17563  C   GLY K 127     110.901  -4.050  41.106  1.00 17.44           C  
-ATOM  17564  O   GLY K 127     111.111  -5.100  40.516  1.00 17.55           O  
-ATOM  17565  N   VAL K 128     110.323  -2.998  40.525  1.00 17.18           N  
-ATOM  17566  CA  VAL K 128     109.808  -3.061  39.153  1.00 17.32           C  
-ATOM  17567  C   VAL K 128     110.833  -3.494  38.095  1.00 17.57           C  
-ATOM  17568  O   VAL K 128     110.484  -4.147  37.116  1.00 17.45           O  
-ATOM  17569  CB  VAL K 128     109.102  -1.736  38.716  1.00 17.25           C  
-ATOM  17570  CG1 VAL K 128     110.087  -0.585  38.584  1.00 17.11           C  
-ATOM  17571  CG2 VAL K 128     108.344  -1.919  37.396  1.00 17.37           C  
-ATOM  17572  N   ASP K 129     112.084  -3.106  38.293  1.00 18.59           N  
-ATOM  17573  CA  ASP K 129     113.120  -3.300  37.302  1.00 20.20           C  
-ATOM  17574  C   ASP K 129     114.039  -4.490  37.624  1.00 20.04           C  
-ATOM  17575  O   ASP K 129     115.143  -4.582  37.100  1.00 19.94           O  
-ATOM  17576  CB  ASP K 129     113.946  -2.018  37.214  1.00 21.09           C  
-ATOM  17577  CG  ASP K 129     114.492  -1.589  38.573  1.00 23.27           C  
-ATOM  17578  OD1 ASP K 129     113.690  -1.543  39.553  1.00 22.06           O  
-ATOM  17579  OD2 ASP K 129     115.709  -1.290  38.746  1.00 26.59           O  
-ATOM  17580  N   THR K 130     113.567  -5.387  38.489  1.00 20.22           N  
-ATOM  17581  CA  THR K 130     114.290  -6.597  38.885  1.00 20.08           C  
-ATOM  17582  C   THR K 130     113.468  -7.804  38.423  1.00 19.71           C  
-ATOM  17583  O   THR K 130     112.435  -7.628  37.789  1.00 19.94           O  
-ATOM  17584  CB  THR K 130     114.471  -6.636  40.414  1.00 20.29           C  
-ATOM  17585  OG1 THR K 130     113.181  -6.705  41.035  1.00 21.85           O  
-ATOM  17586  CG2 THR K 130     115.064  -5.312  40.953  1.00 20.33           C  
-ATOM  17587  N   GLU K 131     113.907  -9.011  38.777  1.00 19.60           N  
-ATOM  17588  CA  GLU K 131     113.317 -10.272  38.310  1.00 19.40           C  
-ATOM  17589  C   GLU K 131     111.951 -10.629  38.940  1.00 19.18           C  
-ATOM  17590  O   GLU K 131     111.014 -11.050  38.246  1.00 18.30           O  
-ATOM  17591  CB  GLU K 131     114.333 -11.405  38.528  1.00 19.81           C  
-ATOM  17592  CG  GLU K 131     113.746 -12.806  38.687  1.00 20.69           C  
-ATOM  17593  CD  GLU K 131     113.958 -13.660  37.450  1.00 22.17           C  
-ATOM  17594  OE1 GLU K 131     113.197 -13.454  36.472  1.00 22.26           O  
-ATOM  17595  OE2 GLU K 131     114.882 -14.518  37.452  1.00 19.97           O  
-ATOM  17596  N   SER K 132     111.852 -10.463  40.256  1.00 18.63           N  
-ATOM  17597  CA  SER K 132     110.627 -10.777  40.977  1.00 19.01           C  
-ATOM  17598  C   SER K 132     109.563  -9.716  40.746  1.00 18.75           C  
-ATOM  17599  O   SER K 132     108.393  -9.967  40.994  1.00 18.97           O  
-ATOM  17600  CB  SER K 132     110.894 -10.999  42.477  1.00 19.44           C  
-ATOM  17601  OG  SER K 132     110.725  -9.799  43.223  1.00 21.12           O  
-ATOM  17602  N   GLY K 133     109.981  -8.546  40.262  1.00 18.67           N  
-ATOM  17603  CA  GLY K 133     109.073  -7.474  39.888  1.00 18.21           C  
-ATOM  17604  C   GLY K 133     108.460  -6.678  41.028  1.00 18.26           C  
-ATOM  17605  O   GLY K 133     108.764  -6.900  42.198  1.00 17.53           O  
-ATOM  17606  N   ALA K 134     107.589  -5.734  40.670  1.00 18.38           N  
-ATOM  17607  CA  ALA K 134     106.824  -4.975  41.652  1.00 18.84           C  
-ATOM  17608  C   ALA K 134     105.425  -5.579  41.819  1.00 19.25           C  
-ATOM  17609  O   ALA K 134     104.938  -6.300  40.941  1.00 19.00           O  
-ATOM  17610  CB  ALA K 134     106.747  -3.491  41.264  1.00 19.08           C  
-ATOM  17611  N   THR K 135     104.807  -5.303  42.966  1.00 19.83           N  
-ATOM  17612  CA  THR K 135     103.428  -5.708  43.225  1.00 20.91           C  
-ATOM  17613  C   THR K 135     102.593  -4.469  43.574  1.00 21.46           C  
-ATOM  17614  O   THR K 135     102.690  -3.925  44.677  1.00 21.71           O  
-ATOM  17615  CB  THR K 135     103.342  -6.788  44.356  1.00 20.71           C  
-ATOM  17616  OG1 THR K 135     104.220  -7.871  44.045  1.00 21.37           O  
-ATOM  17617  CG2 THR K 135     101.981  -7.484  44.357  1.00 20.96           C  
-ATOM  17618  N   CYS K 136     101.788  -4.032  42.620  1.00 21.76           N  
-ATOM  17619  CA  CYS K 136     100.912  -2.887  42.801  1.00 22.82           C  
-ATOM  17620  C   CYS K 136      99.536  -3.418  43.144  1.00 22.42           C  
-ATOM  17621  O   CYS K 136      98.968  -4.233  42.400  1.00 22.38           O  
-ATOM  17622  CB  CYS K 136     100.872  -2.088  41.498  1.00 22.96           C  
-ATOM  17623  SG  CYS K 136      99.739  -0.701  41.504  1.00 26.51           S  
-ATOM  17624  N   ARG K 137      99.010  -2.977  44.283  1.00 22.12           N  
-ATOM  17625  CA  ARG K 137      97.688  -3.398  44.743  1.00 21.71           C  
-ATOM  17626  C   ARG K 137      96.644  -2.325  44.442  1.00 20.73           C  
-ATOM  17627  O   ARG K 137      96.846  -1.177  44.804  1.00 20.75           O  
-ATOM  17628  CB  ARG K 137      97.733  -3.663  46.249  1.00 22.24           C  
-ATOM  17629  CG  ARG K 137      97.456  -5.067  46.631  1.00 24.48           C  
-ATOM  17630  CD  ARG K 137      97.856  -5.405  48.058  1.00 29.95           C  
-ATOM  17631  NE  ARG K 137      99.294  -5.642  48.238  1.00 34.03           N  
-ATOM  17632  CZ  ARG K 137      99.925  -6.787  47.947  1.00 36.14           C  
-ATOM  17633  NH1 ARG K 137      99.255  -7.815  47.438  1.00 35.84           N  
-ATOM  17634  NH2 ARG K 137     101.238  -6.910  48.170  1.00 37.71           N  
-ATOM  17635  N   ILE K 138      95.542  -2.691  43.783  1.00 19.48           N  
-ATOM  17636  CA  ILE K 138      94.461  -1.753  43.471  1.00 18.76           C  
-ATOM  17637  C   ILE K 138      93.200  -2.168  44.236  1.00 18.43           C  
-ATOM  17638  O   ILE K 138      92.709  -3.304  44.098  1.00 18.16           O  
-ATOM  17639  CB  ILE K 138      94.184  -1.661  41.935  1.00 18.68           C  
-ATOM  17640  CG1 ILE K 138      95.221  -0.811  41.209  1.00 18.58           C  
-ATOM  17641  CG2 ILE K 138      92.804  -1.064  41.631  1.00 18.39           C  
-ATOM  17642  CD1 ILE K 138      95.371  -1.274  39.692  1.00 20.89           C  
-ATOM  17643  N   LYS K 139      92.697  -1.250  45.054  1.00 17.44           N  
-ATOM  17644  CA  LYS K 139      91.584  -1.553  45.938  1.00 17.27           C  
-ATOM  17645  C   LYS K 139      90.285  -0.934  45.374  1.00 17.31           C  
-ATOM  17646  O   LYS K 139      90.176   0.318  45.214  1.00 17.08           O  
-ATOM  17647  CB  LYS K 139      91.904  -1.022  47.339  1.00 16.86           C  
-ATOM  17648  CG  LYS K 139      90.750  -1.094  48.276  1.00 17.07           C  
-ATOM  17649  CD  LYS K 139      91.092  -0.719  49.716  1.00 17.59           C  
-ATOM  17650  CE  LYS K 139      89.765  -0.673  50.530  1.00 15.90           C  
-ATOM  17651  NZ  LYS K 139      89.923  -0.116  51.890  1.00 15.18           N  
-ATOM  17652  N   ILE K 140      89.323  -1.789  45.032  1.00 16.64           N  
-ATOM  17653  CA  ILE K 140      88.077  -1.275  44.469  1.00 16.66           C  
-ATOM  17654  C   ILE K 140      86.857  -1.729  45.248  1.00 16.10           C  
-ATOM  17655  O   ILE K 140      86.722  -2.912  45.573  1.00 15.86           O  
-ATOM  17656  CB  ILE K 140      87.961  -1.548  42.935  1.00 17.50           C  
-ATOM  17657  CG1 ILE K 140      89.087  -0.844  42.186  1.00 16.61           C  
-ATOM  17658  CG2 ILE K 140      86.538  -1.096  42.330  1.00 15.38           C  
-ATOM  17659  CD1 ILE K 140      89.184  -1.161  40.672  1.00 19.00           C  
-ATOM  17660  N   GLY K 141      85.967  -0.777  45.557  1.00 15.29           N  
-ATOM  17661  CA  GLY K 141      84.698  -1.130  46.189  1.00 14.75           C  
-ATOM  17662  C   GLY K 141      83.653  -0.072  46.031  1.00 14.75           C  
-ATOM  17663  O   GLY K 141      83.937   1.002  45.489  1.00 14.78           O  
-ATOM  17664  N   SER K 142      82.449  -0.346  46.528  1.00 14.06           N  
-ATOM  17665  CA  SER K 142      81.384   0.643  46.543  1.00 13.90           C  
-ATOM  17666  C   SER K 142      81.829   1.791  47.450  1.00 13.72           C  
-ATOM  17667  O   SER K 142      82.207   1.549  48.598  1.00 13.58           O  
-ATOM  17668  CB  SER K 142      80.092   0.059  47.122  1.00 14.22           C  
-ATOM  17669  OG  SER K 142      79.089   1.088  47.222  1.00 14.89           O  
-ATOM  17670  N   TRP K 143      81.725   3.021  46.953  1.00 12.68           N  
-ATOM  17671  CA  TRP K 143      82.035   4.203  47.759  1.00 12.39           C  
-ATOM  17672  C   TRP K 143      81.007   4.460  48.838  1.00 12.07           C  
-ATOM  17673  O   TRP K 143      81.369   4.891  49.915  1.00 12.21           O  
-ATOM  17674  CB  TRP K 143      82.173   5.476  46.870  1.00 12.26           C  
-ATOM  17675  CG  TRP K 143      82.856   6.625  47.602  1.00 15.80           C  
-ATOM  17676  CD1 TRP K 143      82.286   7.818  47.991  1.00 16.46           C  
-ATOM  17677  CD2 TRP K 143      84.226   6.688  48.027  1.00 14.19           C  
-ATOM  17678  NE1 TRP K 143      83.216   8.606  48.634  1.00 16.84           N  
-ATOM  17679  CE2 TRP K 143      84.417   7.941  48.659  1.00 17.36           C  
-ATOM  17680  CE3 TRP K 143      85.320   5.825  47.917  1.00 16.38           C  
-ATOM  17681  CZ2 TRP K 143      85.652   8.333  49.204  1.00 16.57           C  
-ATOM  17682  CZ3 TRP K 143      86.558   6.219  48.457  1.00 15.25           C  
-ATOM  17683  CH2 TRP K 143      86.698   7.457  49.100  1.00 17.02           C  
-ATOM  17684  N   THR K 144      79.716   4.245  48.559  1.00 11.60           N  
-ATOM  17685  CA  THR K 144      78.678   4.638  49.527  1.00 11.31           C  
-ATOM  17686  C   THR K 144      77.730   3.519  50.009  1.00 11.19           C  
-ATOM  17687  O   THR K 144      76.890   3.750  50.880  1.00 10.96           O  
-ATOM  17688  CB  THR K 144      77.869   5.859  48.970  1.00 11.79           C  
-ATOM  17689  OG1 THR K 144      76.766   5.382  48.204  1.00  9.88           O  
-ATOM  17690  CG2 THR K 144      78.694   6.605  47.893  1.00 11.68           C  
-ATOM  17691  N   HIS K 145      77.877   2.316  49.475  1.00 10.85           N  
-ATOM  17692  CA  HIS K 145      76.973   1.222  49.849  1.00 10.94           C  
-ATOM  17693  C   HIS K 145      77.701   0.146  50.684  1.00 11.03           C  
-ATOM  17694  O   HIS K 145      78.642  -0.479  50.206  1.00 11.40           O  
-ATOM  17695  CB  HIS K 145      76.362   0.599  48.582  1.00 10.76           C  
-ATOM  17696  CG  HIS K 145      75.380   1.463  47.866  1.00  6.38           C  
-ATOM  17697  ND1 HIS K 145      74.085   1.650  48.307  1.00  2.51           N  
-ATOM  17698  CD2 HIS K 145      75.475   2.122  46.686  1.00  7.79           C  
-ATOM  17699  CE1 HIS K 145      73.424   2.380  47.434  1.00  3.71           C  
-ATOM  17700  NE2 HIS K 145      74.247   2.685  46.440  1.00  8.28           N  
-ATOM  17701  N   HIS K 146      77.301  -0.032  51.930  1.00 10.76           N  
-ATOM  17702  CA  HIS K 146      77.929  -1.040  52.802  1.00 11.40           C  
-ATOM  17703  C   HIS K 146      77.550  -2.495  52.471  1.00 11.55           C  
-ATOM  17704  O   HIS K 146      76.809  -2.749  51.523  1.00 11.55           O  
-ATOM  17705  CB  HIS K 146      77.658  -0.746  54.291  1.00 11.62           C  
-ATOM  17706  CG  HIS K 146      76.199  -0.657  54.636  1.00 14.05           C  
-ATOM  17707  ND1 HIS K 146      75.354  -1.744  54.575  1.00 14.85           N  
-ATOM  17708  CD2 HIS K 146      75.445   0.383  55.065  1.00 12.82           C  
-ATOM  17709  CE1 HIS K 146      74.138  -1.369  54.919  1.00 14.85           C  
-ATOM  17710  NE2 HIS K 146      74.165  -0.084  55.217  1.00 13.27           N  
-ATOM  17711  N   SER K 147      78.039  -3.445  53.286  1.00 11.86           N  
-ATOM  17712  CA  SER K 147      77.983  -4.875  52.946  1.00 12.17           C  
-ATOM  17713  C   SER K 147      76.572  -5.425  52.814  1.00 12.37           C  
-ATOM  17714  O   SER K 147      76.362  -6.426  52.134  1.00 12.86           O  
-ATOM  17715  CB  SER K 147      78.767  -5.755  53.922  1.00 11.90           C  
-ATOM  17716  OG  SER K 147      78.441  -5.484  55.279  1.00 13.63           O  
-ATOM  17717  N   ARG K 148      75.607  -4.778  53.451  1.00 12.62           N  
-ATOM  17718  CA  ARG K 148      74.226  -5.216  53.335  1.00 13.13           C  
-ATOM  17719  C   ARG K 148      73.563  -4.729  52.052  1.00 12.59           C  
-ATOM  17720  O   ARG K 148      72.485  -5.161  51.709  1.00 12.99           O  
-ATOM  17721  CB  ARG K 148      73.417  -4.768  54.557  1.00 13.97           C  
-ATOM  17722  CG  ARG K 148      73.850  -5.407  55.891  1.00 17.56           C  
-ATOM  17723  CD  ARG K 148      72.834  -5.168  57.016  1.00 24.83           C  
-ATOM  17724  NE  ARG K 148      72.492  -3.743  57.170  1.00 30.27           N  
-ATOM  17725  CZ  ARG K 148      71.291  -3.267  57.536  1.00 32.07           C  
-ATOM  17726  NH1 ARG K 148      70.266  -4.081  57.795  1.00 31.71           N  
-ATOM  17727  NH2 ARG K 148      71.119  -1.953  57.648  1.00 33.17           N  
-ATOM  17728  N   GLU K 149      74.221  -3.837  51.334  1.00 12.81           N  
-ATOM  17729  CA  GLU K 149      73.638  -3.252  50.130  1.00 12.65           C  
-ATOM  17730  C   GLU K 149      74.394  -3.696  48.887  1.00 12.54           C  
-ATOM  17731  O   GLU K 149      73.788  -4.072  47.896  1.00 12.07           O  
-ATOM  17732  CB  GLU K 149      73.584  -1.739  50.276  1.00 13.26           C  
-ATOM  17733  CG  GLU K 149      72.683  -1.237  51.407  1.00 13.62           C  
-ATOM  17734  CD  GLU K 149      72.679   0.294  51.559  1.00 17.05           C  
-ATOM  17735  OE1 GLU K 149      73.293   0.986  50.723  1.00 18.83           O  
-ATOM  17736  OE2 GLU K 149      72.067   0.822  52.530  1.00 18.88           O  
-ATOM  17737  N   ILE K 150      75.721  -3.692  48.954  1.00 12.84           N  
-ATOM  17738  CA  ILE K 150      76.522  -4.209  47.855  1.00 13.56           C  
-ATOM  17739  C   ILE K 150      77.603  -5.147  48.386  1.00 14.70           C  
-ATOM  17740  O   ILE K 150      78.307  -4.818  49.330  1.00 14.76           O  
-ATOM  17741  CB  ILE K 150      77.181  -3.083  47.050  1.00 13.76           C  
-ATOM  17742  CG1 ILE K 150      76.160  -2.359  46.136  1.00 13.99           C  
-ATOM  17743  CG2 ILE K 150      78.342  -3.644  46.227  1.00 13.90           C  
-ATOM  17744  CD1 ILE K 150      76.758  -1.141  45.354  1.00 12.79           C  
-ATOM  17745  N   SER K 151      77.751  -6.284  47.730  1.00 15.55           N  
-ATOM  17746  CA  SER K 151      78.869  -7.164  47.972  1.00 17.72           C  
-ATOM  17747  C   SER K 151      79.740  -7.207  46.717  1.00 19.15           C  
-ATOM  17748  O   SER K 151      79.229  -7.232  45.602  1.00 19.30           O  
-ATOM  17749  CB  SER K 151      78.323  -8.552  48.328  1.00 17.87           C  
-ATOM  17750  OG  SER K 151      77.639  -9.115  47.224  1.00 16.97           O  
-ATOM  17751  N   VAL K 152      81.052  -7.177  46.879  1.00 20.60           N  
-ATOM  17752  CA  VAL K 152      81.905  -7.292  45.712  1.00 22.65           C  
-ATOM  17753  C   VAL K 152      82.709  -8.584  45.760  1.00 24.35           C  
-ATOM  17754  O   VAL K 152      83.363  -8.873  46.730  1.00 24.46           O  
-ATOM  17755  CB  VAL K 152      82.847  -6.085  45.511  1.00 21.82           C  
-ATOM  17756  CG1 VAL K 152      82.063  -4.868  45.052  1.00 20.99           C  
-ATOM  17757  CG2 VAL K 152      83.612  -5.812  46.760  1.00 19.51           C  
-ATOM  17758  N   ASP K 153      82.620  -9.363  44.699  1.00 26.25           N  
-ATOM  17759  CA  ASP K 153      83.337 -10.617  44.575  1.00 28.79           C  
-ATOM  17760  C   ASP K 153      84.213 -10.494  43.321  1.00 30.44           C  
-ATOM  17761  O   ASP K 153      83.801  -9.893  42.324  1.00 29.65           O  
-ATOM  17762  CB  ASP K 153      82.354 -11.794  44.433  1.00 28.24           C  
-ATOM  17763  CG  ASP K 153      81.761 -12.268  45.800  1.00 31.56           C  
-ATOM  17764  OD1 ASP K 153      82.513 -12.886  46.619  1.00 32.91           O  
-ATOM  17765  OD2 ASP K 153      80.540 -12.116  46.117  1.00 30.93           O  
-ATOM  17766  N   PRO K 154      85.421 -11.036  43.365  1.00 32.37           N  
-ATOM  17767  CA  PRO K 154      86.221 -11.181  42.148  1.00 34.53           C  
-ATOM  17768  C   PRO K 154      85.701 -12.347  41.301  1.00 37.03           C  
-ATOM  17769  O   PRO K 154      84.875 -13.122  41.796  1.00 37.32           O  
-ATOM  17770  CB  PRO K 154      87.602 -11.516  42.692  1.00 34.16           C  
-ATOM  17771  CG  PRO K 154      87.322 -12.220  43.974  1.00 33.99           C  
-ATOM  17772  CD  PRO K 154      86.130 -11.515  44.563  1.00 32.61           C  
-ATOM  17773  N   THR K 155      86.166 -12.466  40.055  1.00 39.65           N  
-ATOM  17774  CA  THR K 155      86.074 -13.748  39.332  1.00 42.33           C  
-ATOM  17775  C   THR K 155      87.429 -14.194  38.716  1.00 44.07           C  
-ATOM  17776  O   THR K 155      87.740 -13.857  37.556  1.00 44.54           O  
-ATOM  17777  CB  THR K 155      84.954 -13.712  38.284  1.00 42.24           C  
-ATOM  17778  OG1 THR K 155      84.295 -12.435  38.333  1.00 43.44           O  
-ATOM  17779  CG2 THR K 155      83.853 -14.715  38.648  1.00 42.89           C  
-ATOM  17780  N   THR K 156      88.219 -14.933  39.511  1.00 45.70           N  
-ATOM  17781  CA  THR K 156      89.561 -15.448  39.116  1.00 47.59           C  
-ATOM  17782  C   THR K 156      89.510 -16.519  38.007  1.00 48.12           C  
-ATOM  17783  O   THR K 156      89.390 -17.736  38.282  1.00 48.15           O  
-ATOM  17784  CB  THR K 156      90.410 -16.000  40.350  1.00 47.68           C  
-ATOM  17785  OG1 THR K 156      89.889 -15.523  41.605  1.00 48.08           O  
-ATOM  17786  CG2 THR K 156      91.873 -15.472  40.311  1.00 48.22           C  
-ATOM  17787  N   GLU K 157      89.631 -16.052  36.765  1.00 48.56           N  
-ATOM  17788  CA  GLU K 157      89.447 -16.896  35.588  1.00 49.10           C  
-ATOM  17789  C   GLU K 157      90.637 -17.818  35.318  1.00 49.07           C  
-ATOM  17790  O   GLU K 157      91.724 -17.647  35.895  1.00 49.10           O  
-ATOM  17791  CB  GLU K 157      89.142 -16.028  34.359  1.00 49.20           C  
-ATOM  17792  CG  GLU K 157      87.665 -15.983  33.983  1.00 50.31           C  
-ATOM  17793  CD  GLU K 157      87.178 -14.591  33.581  1.00 51.12           C  
-ATOM  17794  OE1 GLU K 157      87.735 -13.997  32.625  1.00 50.77           O  
-ATOM  17795  OE2 GLU K 157      86.219 -14.094  34.217  1.00 51.11           O  
-ATOM  17796  N   ASN K 158      90.411 -18.807  34.454  1.00 48.94           N  
-ATOM  17797  CA  ASN K 158      91.487 -19.642  33.918  1.00 48.64           C  
-ATOM  17798  C   ASN K 158      92.180 -19.003  32.692  1.00 48.11           C  
-ATOM  17799  O   ASN K 158      93.292 -19.399  32.318  1.00 48.11           O  
-ATOM  17800  CB  ASN K 158      90.960 -21.045  33.597  1.00 48.89           C  
-ATOM  17801  CG  ASN K 158      91.671 -22.139  34.393  1.00 49.77           C  
-ATOM  17802  OD1 ASN K 158      91.747 -23.288  33.953  1.00 50.05           O  
-ATOM  17803  ND2 ASN K 158      92.197 -21.783  35.567  1.00 50.64           N  
-ATOM  17804  N   SER K 159      91.519 -18.007  32.087  1.00 47.25           N  
-ATOM  17805  CA  SER K 159      92.083 -17.230  30.973  1.00 46.03           C  
-ATOM  17806  C   SER K 159      93.263 -16.357  31.429  1.00 45.28           C  
-ATOM  17807  O   SER K 159      93.147 -15.613  32.411  1.00 45.00           O  
-ATOM  17808  CB  SER K 159      90.997 -16.368  30.303  1.00 46.15           C  
-ATOM  17809  OG  SER K 159      90.406 -15.458  31.222  1.00 45.24           O  
-ATOM  17810  N   ASP K 160      94.382 -16.472  30.704  1.00 44.02           N  
-ATOM  17811  CA  ASP K 160      95.664 -15.784  30.988  1.00 42.91           C  
-ATOM  17812  C   ASP K 160      95.543 -14.370  31.593  1.00 41.43           C  
-ATOM  17813  O   ASP K 160      94.549 -13.666  31.388  1.00 41.21           O  
-ATOM  17814  CB  ASP K 160      96.532 -15.758  29.700  1.00 43.29           C  
-ATOM  17815  CG  ASP K 160      98.045 -15.578  29.971  1.00 43.91           C  
-ATOM  17816  OD1 ASP K 160      98.677 -16.472  30.595  1.00 45.35           O  
-ATOM  17817  OD2 ASP K 160      98.692 -14.589  29.545  1.00 43.06           O  
-ATOM  17818  N   ASP K 161      96.564 -13.976  32.351  1.00 39.87           N  
-ATOM  17819  CA  ASP K 161      96.672 -12.611  32.869  1.00 38.36           C  
-ATOM  17820  C   ASP K 161      97.037 -11.631  31.740  1.00 37.20           C  
-ATOM  17821  O   ASP K 161      96.361 -10.632  31.552  1.00 36.45           O  
-ATOM  17822  CB  ASP K 161      97.697 -12.536  34.018  1.00 38.22           C  
-ATOM  17823  CG  ASP K 161      97.264 -13.324  35.256  1.00 37.60           C  
-ATOM  17824  OD1 ASP K 161      96.094 -13.193  35.680  1.00 36.36           O  
-ATOM  17825  OD2 ASP K 161      98.030 -14.097  35.879  1.00 38.36           O  
-ATOM  17826  N   SER K 162      98.096 -11.952  30.988  1.00 35.60           N  
-ATOM  17827  CA  SER K 162      98.582 -11.119  29.869  1.00 34.13           C  
-ATOM  17828  C   SER K 162      97.783 -11.269  28.574  1.00 32.93           C  
-ATOM  17829  O   SER K 162      98.214 -10.790  27.516  1.00 33.17           O  
-ATOM  17830  CB  SER K 162     100.053 -11.429  29.546  1.00 33.89           C  
-ATOM  17831  OG  SER K 162     100.865 -11.448  30.709  1.00 34.94           O  
-ATOM  17832  N   GLU K 163      96.639 -11.947  28.656  1.00 31.09           N  
-ATOM  17833  CA  GLU K 163      95.837 -12.318  27.492  1.00 28.57           C  
-ATOM  17834  C   GLU K 163      95.513 -11.126  26.584  1.00 27.18           C  
-ATOM  17835  O   GLU K 163      95.486 -11.251  25.364  1.00 26.72           O  
-ATOM  17836  CB  GLU K 163      94.547 -12.988  27.973  1.00 28.69           C  
-ATOM  17837  CG  GLU K 163      93.894 -13.868  26.937  1.00 28.83           C  
-ATOM  17838  CD  GLU K 163      92.450 -14.236  27.259  1.00 30.83           C  
-ATOM  17839  OE1 GLU K 163      91.891 -13.821  28.319  1.00 28.26           O  
-ATOM  17840  OE2 GLU K 163      91.868 -14.956  26.416  1.00 31.71           O  
-ATOM  17841  N   TYR K 164      95.264  -9.971  27.191  1.00 25.20           N  
-ATOM  17842  CA  TYR K 164      94.917  -8.776  26.424  1.00 24.01           C  
-ATOM  17843  C   TYR K 164      95.920  -7.694  26.688  1.00 22.65           C  
-ATOM  17844  O   TYR K 164      95.796  -6.587  26.168  1.00 22.47           O  
-ATOM  17845  CB  TYR K 164      93.509  -8.290  26.738  1.00 22.95           C  
-ATOM  17846  CG  TYR K 164      92.480  -9.336  26.452  1.00 24.44           C  
-ATOM  17847  CD1 TYR K 164      92.429  -9.947  25.189  1.00 25.89           C  
-ATOM  17848  CD2 TYR K 164      91.575  -9.750  27.442  1.00 24.30           C  
-ATOM  17849  CE1 TYR K 164      91.499 -10.945  24.910  1.00 27.64           C  
-ATOM  17850  CE2 TYR K 164      90.636 -10.741  27.174  1.00 27.53           C  
-ATOM  17851  CZ  TYR K 164      90.615 -11.338  25.901  1.00 27.88           C  
-ATOM  17852  OH  TYR K 164      89.720 -12.314  25.591  1.00 29.95           O  
-ATOM  17853  N   PHE K 165      96.917  -8.037  27.491  1.00 21.59           N  
-ATOM  17854  CA  PHE K 165      97.982  -7.117  27.774  1.00 19.93           C  
-ATOM  17855  C   PHE K 165      98.807  -6.895  26.530  1.00 19.16           C  
-ATOM  17856  O   PHE K 165      99.177  -7.850  25.837  1.00 18.77           O  
-ATOM  17857  CB  PHE K 165      98.874  -7.609  28.909  1.00 19.70           C  
-ATOM  17858  CG  PHE K 165      99.788  -6.551  29.435  1.00 18.67           C  
-ATOM  17859  CD1 PHE K 165      99.285  -5.515  30.206  1.00 17.37           C  
-ATOM  17860  CD2 PHE K 165     101.140  -6.575  29.132  1.00 17.34           C  
-ATOM  17861  CE1 PHE K 165     100.113  -4.530  30.700  1.00 17.98           C  
-ATOM  17862  CE2 PHE K 165     101.985  -5.580  29.597  1.00 17.51           C  
-ATOM  17863  CZ  PHE K 165     101.477  -4.558  30.390  1.00 17.30           C  
-ATOM  17864  N   SER K 166      99.095  -5.627  26.251  1.00 18.12           N  
-ATOM  17865  CA  SER K 166      99.862  -5.262  25.050  1.00 17.47           C  
-ATOM  17866  C   SER K 166     101.272  -5.872  24.980  1.00 16.88           C  
-ATOM  17867  O   SER K 166     102.064  -5.737  25.895  1.00 15.59           O  
-ATOM  17868  CB  SER K 166      99.958  -3.747  24.931  1.00 17.29           C  
-ATOM  17869  OG  SER K 166     100.714  -3.347  23.818  1.00 16.97           O  
-ATOM  17870  N   GLN K 167     101.574  -6.505  23.853  1.00 17.05           N  
-ATOM  17871  CA  GLN K 167     102.918  -7.036  23.595  1.00 17.80           C  
-ATOM  17872  C   GLN K 167     103.926  -5.901  23.363  1.00 17.60           C  
-ATOM  17873  O   GLN K 167     105.133  -6.128  23.310  1.00 17.11           O  
-ATOM  17874  CB  GLN K 167     102.914  -8.000  22.393  1.00 18.23           C  
-ATOM  17875  CG  GLN K 167     102.653  -7.316  21.043  1.00 19.82           C  
-ATOM  17876  CD  GLN K 167     102.453  -8.297  19.886  1.00 22.53           C  
-ATOM  17877  OE1 GLN K 167     103.420  -8.873  19.384  1.00 22.84           O  
-ATOM  17878  NE2 GLN K 167     101.204  -8.473  19.457  1.00 22.18           N  
-ATOM  17879  N   TYR K 168     103.417  -4.675  23.239  1.00 17.50           N  
-ATOM  17880  CA  TYR K 168     104.267  -3.536  22.896  1.00 17.36           C  
-ATOM  17881  C   TYR K 168     104.624  -2.700  24.102  1.00 16.93           C  
-ATOM  17882  O   TYR K 168     105.481  -1.834  24.024  1.00 17.08           O  
-ATOM  17883  CB  TYR K 168     103.634  -2.686  21.776  1.00 17.47           C  
-ATOM  17884  CG  TYR K 168     103.417  -3.482  20.516  1.00 17.27           C  
-ATOM  17885  CD1 TYR K 168     104.485  -4.127  19.877  1.00 17.15           C  
-ATOM  17886  CD2 TYR K 168     102.149  -3.652  19.999  1.00 17.11           C  
-ATOM  17887  CE1 TYR K 168     104.282  -4.894  18.737  1.00 18.00           C  
-ATOM  17888  CE2 TYR K 168     101.940  -4.417  18.847  1.00 16.91           C  
-ATOM  17889  CZ  TYR K 168     103.008  -5.037  18.230  1.00 17.61           C  
-ATOM  17890  OH  TYR K 168     102.806  -5.797  17.087  1.00 19.26           O  
-ATOM  17891  N   SER K 169     103.985  -2.991  25.227  1.00 16.34           N  
-ATOM  17892  CA  SER K 169     104.342  -2.386  26.495  1.00 16.03           C  
-ATOM  17893  C   SER K 169     105.816  -2.635  26.879  1.00 16.29           C  
-ATOM  17894  O   SER K 169     106.454  -3.616  26.447  1.00 15.70           O  
-ATOM  17895  CB  SER K 169     103.445  -2.915  27.597  1.00 15.85           C  
-ATOM  17896  OG  SER K 169     103.740  -2.278  28.828  1.00 15.61           O  
-ATOM  17897  N   ARG K 170     106.333  -1.727  27.701  1.00 16.41           N  
-ATOM  17898  CA  ARG K 170     107.696  -1.808  28.209  1.00 16.97           C  
-ATOM  17899  C   ARG K 170     107.735  -2.792  29.376  1.00 16.07           C  
-ATOM  17900  O   ARG K 170     108.805  -3.185  29.849  1.00 15.46           O  
-ATOM  17901  CB  ARG K 170     108.124  -0.440  28.730  1.00 17.26           C  
-ATOM  17902  CG  ARG K 170     109.071   0.306  27.850  1.00 20.24           C  
-ATOM  17903  CD  ARG K 170     109.505   1.603  28.472  1.00 23.82           C  
-ATOM  17904  NE  ARG K 170     108.323   2.288  28.991  1.00 26.61           N  
-ATOM  17905  CZ  ARG K 170     108.349   3.312  29.848  1.00 27.62           C  
-ATOM  17906  NH1 ARG K 170     109.523   3.786  30.281  1.00 25.27           N  
-ATOM  17907  NH2 ARG K 170     107.191   3.852  30.267  1.00 25.34           N  
-ATOM  17908  N   PHE K 171     106.548  -3.167  29.841  1.00 14.96           N  
-ATOM  17909  CA  PHE K 171     106.422  -4.007  31.021  1.00 14.39           C  
-ATOM  17910  C   PHE K 171     105.761  -5.311  30.625  1.00 15.11           C  
-ATOM  17911  O   PHE K 171     105.212  -5.434  29.518  1.00 15.07           O  
-ATOM  17912  CB  PHE K 171     105.700  -3.246  32.162  1.00 13.16           C  
-ATOM  17913  CG  PHE K 171     106.356  -1.916  32.496  1.00 11.68           C  
-ATOM  17914  CD1 PHE K 171     105.991  -0.750  31.822  1.00  8.88           C  
-ATOM  17915  CD2 PHE K 171     107.397  -1.847  33.444  1.00 11.42           C  
-ATOM  17916  CE1 PHE K 171     106.627   0.480  32.086  1.00  9.19           C  
-ATOM  17917  CE2 PHE K 171     108.035  -0.616  33.743  1.00 10.05           C  
-ATOM  17918  CZ  PHE K 171     107.649   0.559  33.048  1.00  9.65           C  
-ATOM  17919  N   GLU K 172     105.902  -6.306  31.491  1.00 15.99           N  
-ATOM  17920  CA  GLU K 172     105.249  -7.596  31.329  1.00 17.07           C  
-ATOM  17921  C   GLU K 172     104.608  -7.938  32.651  1.00 17.19           C  
-ATOM  17922  O   GLU K 172     105.077  -7.516  33.704  1.00 17.27           O  
-ATOM  17923  CB  GLU K 172     106.226  -8.701  30.888  1.00 17.18           C  
-ATOM  17924  CG  GLU K 172     107.434  -8.894  31.791  1.00 18.96           C  
-ATOM  17925  CD  GLU K 172     108.399  -9.961  31.284  1.00 22.49           C  
-ATOM  17926  OE1 GLU K 172     107.985 -10.778  30.441  1.00 25.00           O  
-ATOM  17927  OE2 GLU K 172     109.567  -9.984  31.729  1.00 22.72           O  
-ATOM  17928  N   ILE K 173     103.521  -8.687  32.581  1.00 17.48           N  
-ATOM  17929  CA  ILE K 173     102.788  -9.071  33.767  1.00 18.13           C  
-ATOM  17930  C   ILE K 173     103.212 -10.477  34.178  1.00 18.55           C  
-ATOM  17931  O   ILE K 173     103.225 -11.406  33.356  1.00 18.23           O  
-ATOM  17932  CB  ILE K 173     101.279  -9.006  33.494  1.00 18.31           C  
-ATOM  17933  CG1 ILE K 173     100.853  -7.547  33.341  1.00 18.77           C  
-ATOM  17934  CG2 ILE K 173     100.494  -9.718  34.608  1.00 18.51           C  
-ATOM  17935  CD1 ILE K 173      99.378  -7.378  32.969  1.00 20.57           C  
-ATOM  17936  N   LEU K 174     103.573 -10.618  35.449  1.00 18.82           N  
-ATOM  17937  CA  LEU K 174     103.988 -11.907  35.966  1.00 19.35           C  
-ATOM  17938  C   LEU K 174     102.793 -12.644  36.536  1.00 19.76           C  
-ATOM  17939  O   LEU K 174     102.637 -13.839  36.311  1.00 19.74           O  
-ATOM  17940  CB  LEU K 174     105.109 -11.764  37.003  1.00 19.06           C  
-ATOM  17941  CG  LEU K 174     106.351 -11.018  36.510  1.00 19.43           C  
-ATOM  17942  CD1 LEU K 174     107.307 -10.746  37.661  1.00 19.70           C  
-ATOM  17943  CD2 LEU K 174     107.056 -11.772  35.396  1.00 18.88           C  
-ATOM  17944  N   ASP K 175     101.950 -11.919  37.260  1.00 20.02           N  
-ATOM  17945  CA  ASP K 175     100.817 -12.509  37.952  1.00 21.10           C  
-ATOM  17946  C   ASP K 175      99.779 -11.465  38.328  1.00 21.13           C  
-ATOM  17947  O   ASP K 175     100.105 -10.290  38.586  1.00 20.72           O  
-ATOM  17948  CB  ASP K 175     101.297 -13.245  39.224  1.00 21.95           C  
-ATOM  17949  CG  ASP K 175     100.477 -14.493  39.541  1.00 24.23           C  
-ATOM  17950  OD1 ASP K 175      99.383 -14.687  38.961  1.00 26.39           O  
-ATOM  17951  OD2 ASP K 175     100.852 -15.344  40.372  1.00 27.77           O  
-ATOM  17952  N   VAL K 176      98.520 -11.892  38.330  1.00 21.64           N  
-ATOM  17953  CA  VAL K 176      97.428 -11.082  38.858  1.00 22.01           C  
-ATOM  17954  C   VAL K 176      96.651 -11.951  39.851  1.00 22.84           C  
-ATOM  17955  O   VAL K 176      96.144 -13.014  39.489  1.00 22.94           O  
-ATOM  17956  CB  VAL K 176      96.500 -10.565  37.742  1.00 21.85           C  
-ATOM  17957  CG1 VAL K 176      95.392  -9.693  38.318  1.00 21.43           C  
-ATOM  17958  CG2 VAL K 176      97.284  -9.815  36.684  1.00 21.09           C  
-ATOM  17959  N   THR K 177      96.579 -11.506  41.104  1.00 23.47           N  
-ATOM  17960  CA  THR K 177      95.710 -12.154  42.088  1.00 24.01           C  
-ATOM  17961  C   THR K 177      94.677 -11.160  42.653  1.00 23.82           C  
-ATOM  17962  O   THR K 177      94.899  -9.953  42.677  1.00 23.40           O  
-ATOM  17963  CB  THR K 177      96.511 -12.827  43.238  1.00 24.08           C  
-ATOM  17964  OG1 THR K 177      97.396 -11.880  43.836  1.00 25.38           O  
-ATOM  17965  CG2 THR K 177      97.467 -13.917  42.728  1.00 24.86           C  
-ATOM  17966  N   GLN K 178      93.561 -11.708  43.118  1.00 23.02           N  
-ATOM  17967  CA  GLN K 178      92.441 -10.952  43.651  1.00 22.72           C  
-ATOM  17968  C   GLN K 178      92.031 -11.457  45.030  1.00 22.59           C  
-ATOM  17969  O   GLN K 178      92.113 -12.667  45.325  1.00 22.62           O  
-ATOM  17970  CB  GLN K 178      91.249 -11.054  42.704  1.00 22.92           C  
-ATOM  17971  CG  GLN K 178      91.480 -11.942  41.498  1.00 25.57           C  
-ATOM  17972  CD  GLN K 178      91.249 -11.222  40.193  1.00 28.75           C  
-ATOM  17973  OE1 GLN K 178      90.124 -10.809  39.901  1.00 29.88           O  
-ATOM  17974  NE2 GLN K 178      92.301 -11.092  39.390  1.00 29.96           N  
-ATOM  17975  N   LYS K 179      91.621 -10.545  45.904  1.00 21.65           N  
-ATOM  17976  CA  LYS K 179      91.064 -10.985  47.184  1.00 21.08           C  
-ATOM  17977  C   LYS K 179      89.960 -10.074  47.716  1.00 20.30           C  
-ATOM  17978  O   LYS K 179      89.994  -8.857  47.544  1.00 19.23           O  
-ATOM  17979  CB  LYS K 179      92.167 -11.331  48.205  1.00 21.04           C  
-ATOM  17980  CG  LYS K 179      92.300 -10.468  49.464  1.00 22.01           C  
-ATOM  17981  CD  LYS K 179      93.649 -10.773  50.163  1.00 21.80           C  
-ATOM  17982  CE  LYS K 179      93.591 -10.564  51.679  1.00 23.20           C  
-ATOM  17983  NZ  LYS K 179      94.680 -11.325  52.420  1.00 23.75           N  
-ATOM  17984  N   LYS K 180      88.965 -10.687  48.331  1.00 18.97           N  
-ATOM  17985  CA  LYS K 180      87.853  -9.935  48.847  1.00 18.76           C  
-ATOM  17986  C   LYS K 180      88.191  -9.523  50.264  1.00 17.90           C  
-ATOM  17987  O   LYS K 180      88.905 -10.214  50.966  1.00 17.71           O  
-ATOM  17988  CB  LYS K 180      86.560 -10.768  48.739  1.00 18.94           C  
-ATOM  17989  CG  LYS K 180      85.262 -10.047  49.112  1.00 19.18           C  
-ATOM  17990  CD  LYS K 180      84.222 -11.064  49.619  1.00 21.24           C  
-ATOM  17991  CE  LYS K 180      82.801 -10.552  49.377  1.00 22.75           C  
-ATOM  17992  NZ  LYS K 180      81.698 -11.402  49.992  1.00 25.47           N  
-ATOM  17993  N   ASN K 181      87.729  -8.349  50.652  1.00 18.66           N  
-ATOM  17994  CA  ASN K 181      87.858  -7.864  52.024  1.00 18.87           C  
-ATOM  17995  C   ASN K 181      86.566  -7.191  52.443  1.00 19.21           C  
-ATOM  17996  O   ASN K 181      85.715  -6.868  51.608  1.00 17.81           O  
-ATOM  17997  CB  ASN K 181      88.984  -6.848  52.127  1.00 19.37           C  
-ATOM  17998  CG  ASN K 181      90.303  -7.392  51.634  1.00 20.10           C  
-ATOM  17999  OD1 ASN K 181      90.963  -8.173  52.328  1.00 15.74           O  
-ATOM  18000  ND2 ASN K 181      90.691  -6.992  50.418  1.00 21.42           N  
-ATOM  18001  N   SER K 182      86.427  -7.027  53.750  1.00 20.09           N  
-ATOM  18002  CA  SER K 182      85.368  -6.244  54.370  1.00 20.83           C  
-ATOM  18003  C   SER K 182      86.111  -5.275  55.281  1.00 21.04           C  
-ATOM  18004  O   SER K 182      86.919  -5.710  56.141  1.00 21.16           O  
-ATOM  18005  CB  SER K 182      84.438  -7.150  55.195  1.00 20.89           C  
-ATOM  18006  OG  SER K 182      83.074  -7.033  54.774  1.00 22.51           O  
-ATOM  18007  N   VAL K 183      85.884  -3.981  55.077  1.00 20.71           N  
-ATOM  18008  CA  VAL K 183      86.529  -2.953  55.888  1.00 21.66           C  
-ATOM  18009  C   VAL K 183      85.552  -1.959  56.523  1.00 22.02           C  
-ATOM  18010  O   VAL K 183      84.753  -1.317  55.827  1.00 21.74           O  
-ATOM  18011  CB  VAL K 183      87.696  -2.210  55.128  1.00 21.57           C  
-ATOM  18012  CG1 VAL K 183      88.204  -1.005  55.933  1.00 21.85           C  
-ATOM  18013  CG2 VAL K 183      88.871  -3.151  54.903  1.00 21.67           C  
-ATOM  18014  N   THR K 184      85.656  -1.842  57.843  1.00 22.54           N  
-ATOM  18015  CA  THR K 184      84.970  -0.825  58.629  1.00 23.81           C  
-ATOM  18016  C   THR K 184      85.751   0.507  58.688  1.00 24.33           C  
-ATOM  18017  O   THR K 184      86.891   0.548  59.157  1.00 24.21           O  
-ATOM  18018  CB  THR K 184      84.782  -1.369  60.043  1.00 24.05           C  
-ATOM  18019  OG1 THR K 184      83.950  -2.539  59.996  1.00 25.26           O  
-ATOM  18020  CG2 THR K 184      84.013  -0.372  60.931  1.00 24.19           C  
-ATOM  18021  N   TYR K 185      85.128   1.597  58.240  1.00 25.17           N  
-ATOM  18022  CA  TYR K 185      85.790   2.906  58.260  1.00 25.97           C  
-ATOM  18023  C   TYR K 185      85.400   3.744  59.463  1.00 26.73           C  
-ATOM  18024  O   TYR K 185      84.283   3.650  59.957  1.00 26.98           O  
-ATOM  18025  CB  TYR K 185      85.543   3.665  56.955  1.00 25.74           C  
-ATOM  18026  CG  TYR K 185      86.081   2.891  55.776  1.00 25.56           C  
-ATOM  18027  CD1 TYR K 185      87.428   2.948  55.441  1.00 24.06           C  
-ATOM  18028  CD2 TYR K 185      85.256   2.044  55.048  1.00 24.65           C  
-ATOM  18029  CE1 TYR K 185      87.930   2.219  54.380  1.00 23.84           C  
-ATOM  18030  CE2 TYR K 185      85.750   1.309  53.989  1.00 25.47           C  
-ATOM  18031  CZ  TYR K 185      87.089   1.398  53.660  1.00 23.26           C  
-ATOM  18032  OH  TYR K 185      87.571   0.652  52.614  1.00 19.93           O  
-ATOM  18033  N   SER K 186      86.325   4.577  59.918  1.00 27.61           N  
-ATOM  18034  CA  SER K 186      86.094   5.436  61.078  1.00 28.45           C  
-ATOM  18035  C   SER K 186      84.956   6.457  60.931  1.00 28.78           C  
-ATOM  18036  O   SER K 186      84.432   6.927  61.936  1.00 29.39           O  
-ATOM  18037  CB  SER K 186      87.391   6.119  61.482  1.00 28.55           C  
-ATOM  18038  OG  SER K 186      88.273   5.156  62.042  1.00 29.99           O  
-ATOM  18039  N   CYS K 187      84.578   6.779  59.695  1.00 29.01           N  
-ATOM  18040  CA  CYS K 187      83.426   7.637  59.394  1.00 29.26           C  
-ATOM  18041  C   CYS K 187      82.085   7.045  59.847  1.00 29.51           C  
-ATOM  18042  O   CYS K 187      81.242   7.733  60.444  1.00 29.75           O  
-ATOM  18043  CB  CYS K 187      83.363   7.923  57.875  1.00 29.82           C  
-ATOM  18044  SG  CYS K 187      82.781   6.561  56.780  1.00 28.92           S  
-ATOM  18045  N   CYS K 188      81.906   5.755  59.565  1.00 29.13           N  
-ATOM  18046  CA  CYS K 188      80.592   5.124  59.579  1.00 28.88           C  
-ATOM  18047  C   CYS K 188      80.664   3.784  60.323  1.00 27.78           C  
-ATOM  18048  O   CYS K 188      81.737   3.194  60.386  1.00 28.20           O  
-ATOM  18049  CB  CYS K 188      80.141   4.941  58.133  1.00 28.68           C  
-ATOM  18050  SG  CYS K 188      80.747   6.232  56.983  1.00 32.79           S  
-ATOM  18051  N   PRO K 189      79.559   3.298  60.901  1.00 26.71           N  
-ATOM  18052  CA  PRO K 189      79.606   2.038  61.657  1.00 25.83           C  
-ATOM  18053  C   PRO K 189      79.608   0.776  60.783  1.00 24.57           C  
-ATOM  18054  O   PRO K 189      79.965  -0.290  61.285  1.00 24.74           O  
-ATOM  18055  CB  PRO K 189      78.340   2.095  62.539  1.00 25.81           C  
-ATOM  18056  CG  PRO K 189      77.372   2.943  61.786  1.00 26.85           C  
-ATOM  18057  CD  PRO K 189      78.202   3.878  60.894  1.00 26.86           C  
-ATOM  18058  N   GLU K 190      79.258   0.890  59.507  1.00 23.14           N  
-ATOM  18059  CA  GLU K 190      79.036  -0.308  58.698  1.00 22.59           C  
-ATOM  18060  C   GLU K 190      80.262  -0.752  57.932  1.00 20.92           C  
-ATOM  18061  O   GLU K 190      81.106   0.077  57.596  1.00 21.96           O  
-ATOM  18062  CB  GLU K 190      77.857  -0.119  57.737  1.00 23.09           C  
-ATOM  18063  CG  GLU K 190      76.604   0.473  58.372  1.00 25.33           C  
-ATOM  18064  CD  GLU K 190      75.689  -0.553  59.006  1.00 28.87           C  
-ATOM  18065  OE1 GLU K 190      74.453  -0.373  58.916  1.00 29.33           O  
-ATOM  18066  OE2 GLU K 190      76.195  -1.518  59.628  1.00 32.46           O  
-ATOM  18067  N   ALA K 191      80.354  -2.052  57.654  1.00 17.86           N  
-ATOM  18068  CA  ALA K 191      81.475  -2.586  56.893  1.00 16.60           C  
-ATOM  18069  C   ALA K 191      81.240  -2.418  55.408  1.00 16.06           C  
-ATOM  18070  O   ALA K 191      80.124  -2.617  54.934  1.00 15.41           O  
-ATOM  18071  CB  ALA K 191      81.714  -4.045  57.229  1.00 16.65           C  
-ATOM  18072  N   TYR K 192      82.296  -2.059  54.680  1.00 15.72           N  
-ATOM  18073  CA  TYR K 192      82.235  -1.907  53.233  1.00 16.29           C  
-ATOM  18074  C   TYR K 192      83.150  -2.933  52.582  1.00 16.89           C  
-ATOM  18075  O   TYR K 192      84.287  -3.136  53.028  1.00 16.74           O  
-ATOM  18076  CB  TYR K 192      82.682  -0.495  52.828  1.00 15.48           C  
-ATOM  18077  CG  TYR K 192      81.729   0.570  53.304  1.00 16.13           C  
-ATOM  18078  CD1 TYR K 192      81.788   1.059  54.607  1.00 15.95           C  
-ATOM  18079  CD2 TYR K 192      80.747   1.074  52.457  1.00 15.26           C  
-ATOM  18080  CE1 TYR K 192      80.909   2.023  55.035  1.00 16.61           C  
-ATOM  18081  CE2 TYR K 192      79.866   2.028  52.885  1.00 15.95           C  
-ATOM  18082  CZ  TYR K 192      79.946   2.501  54.164  1.00 16.47           C  
-ATOM  18083  OH  TYR K 192      79.059   3.464  54.581  1.00 17.70           O  
-ATOM  18084  N   GLU K 193      82.668  -3.567  51.527  1.00 17.19           N  
-ATOM  18085  CA  GLU K 193      83.458  -4.592  50.869  1.00 17.90           C  
-ATOM  18086  C   GLU K 193      84.312  -4.021  49.741  1.00 18.61           C  
-ATOM  18087  O   GLU K 193      83.925  -3.056  49.047  1.00 17.71           O  
-ATOM  18088  CB  GLU K 193      82.571  -5.721  50.348  1.00 18.15           C  
-ATOM  18089  CG  GLU K 193      81.878  -6.510  51.469  1.00 18.25           C  
-ATOM  18090  CD  GLU K 193      81.124  -7.715  50.959  1.00 19.65           C  
-ATOM  18091  OE1 GLU K 193      81.251  -8.072  49.774  1.00 20.15           O  
-ATOM  18092  OE2 GLU K 193      80.392  -8.304  51.744  1.00 21.35           O  
-ATOM  18093  N   ASP K 194      85.478  -4.625  49.564  1.00 19.06           N  
-ATOM  18094  CA  ASP K 194      86.330  -4.268  48.459  1.00 20.35           C  
-ATOM  18095  C   ASP K 194      87.001  -5.495  47.872  1.00 19.99           C  
-ATOM  18096  O   ASP K 194      87.089  -6.556  48.533  1.00 19.59           O  
-ATOM  18097  CB  ASP K 194      87.365  -3.232  48.885  1.00 20.90           C  
-ATOM  18098  CG  ASP K 194      88.377  -3.797  49.865  1.00 24.74           C  
-ATOM  18099  OD1 ASP K 194      89.245  -4.606  49.438  1.00 27.77           O  
-ATOM  18100  OD2 ASP K 194      88.382  -3.467  51.075  1.00 29.16           O  
-ATOM  18101  N   VAL K 195      87.435  -5.364  46.627  1.00 19.26           N  
-ATOM  18102  CA  VAL K 195      88.339  -6.350  46.047  1.00 19.70           C  
-ATOM  18103  C   VAL K 195      89.691  -5.693  45.873  1.00 19.23           C  
-ATOM  18104  O   VAL K 195      89.764  -4.572  45.364  1.00 18.59           O  
-ATOM  18105  CB  VAL K 195      87.830  -6.882  44.697  1.00 20.02           C  
-ATOM  18106  CG1 VAL K 195      88.887  -7.736  44.032  1.00 20.84           C  
-ATOM  18107  CG2 VAL K 195      86.523  -7.617  44.891  1.00 20.28           C  
-ATOM  18108  N   GLU K 196      90.738  -6.367  46.359  1.00 19.01           N  
-ATOM  18109  CA  GLU K 196      92.122  -5.920  46.156  1.00 19.23           C  
-ATOM  18110  C   GLU K 196      92.695  -6.710  45.012  1.00 18.61           C  
-ATOM  18111  O   GLU K 196      92.665  -7.935  45.027  1.00 18.18           O  
-ATOM  18112  CB  GLU K 196      92.962  -6.076  47.420  1.00 19.13           C  
-ATOM  18113  CG  GLU K 196      92.819  -4.874  48.347  1.00 23.10           C  
-ATOM  18114  CD  GLU K 196      93.475  -5.039  49.707  1.00 27.87           C  
-ATOM  18115  OE1 GLU K 196      94.125  -6.088  49.984  1.00 28.45           O  
-ATOM  18116  OE2 GLU K 196      93.338  -4.079  50.506  1.00 28.88           O  
-ATOM  18117  N   VAL K 197      93.177  -5.998  43.998  1.00 18.20           N  
-ATOM  18118  CA  VAL K 197      93.755  -6.642  42.820  1.00 17.83           C  
-ATOM  18119  C   VAL K 197      95.250  -6.385  42.851  1.00 17.58           C  
-ATOM  18120  O   VAL K 197      95.679  -5.247  42.790  1.00 17.53           O  
-ATOM  18121  CB  VAL K 197      93.112  -6.139  41.493  1.00 17.91           C  
-ATOM  18122  CG1 VAL K 197      93.760  -6.790  40.269  1.00 17.27           C  
-ATOM  18123  CG2 VAL K 197      91.622  -6.386  41.486  1.00 18.02           C  
-ATOM  18124  N   SER K 198      96.036  -7.447  42.958  1.00 17.22           N  
-ATOM  18125  CA  SER K 198      97.486  -7.343  43.041  1.00 17.60           C  
-ATOM  18126  C   SER K 198      98.116  -7.631  41.681  1.00 17.51           C  
-ATOM  18127  O   SER K 198      98.081  -8.764  41.181  1.00 17.19           O  
-ATOM  18128  CB  SER K 198      98.048  -8.318  44.095  1.00 17.65           C  
-ATOM  18129  OG  SER K 198      97.621  -7.936  45.389  1.00 19.34           O  
-ATOM  18130  N   LEU K 199      98.705  -6.592  41.102  1.00 17.14           N  
-ATOM  18131  CA  LEU K 199      99.357  -6.690  39.809  1.00 16.98           C  
-ATOM  18132  C   LEU K 199     100.866  -6.857  40.022  1.00 16.60           C  
-ATOM  18133  O   LEU K 199     101.533  -5.927  40.469  1.00 16.78           O  
-ATOM  18134  CB  LEU K 199      99.013  -5.451  38.974  1.00 16.92           C  
-ATOM  18135  CG  LEU K 199      99.727  -5.241  37.640  1.00 18.36           C  
-ATOM  18136  CD1 LEU K 199      99.338  -6.306  36.603  1.00 18.43           C  
-ATOM  18137  CD2 LEU K 199      99.452  -3.855  37.106  1.00 18.84           C  
-ATOM  18138  N   ASN K 200     101.382  -8.056  39.740  1.00 16.09           N  
-ATOM  18139  CA  ASN K 200     102.810  -8.352  39.794  1.00 15.74           C  
-ATOM  18140  C   ASN K 200     103.369  -8.182  38.401  1.00 15.19           C  
-ATOM  18141  O   ASN K 200     102.992  -8.910  37.485  1.00 14.95           O  
-ATOM  18142  CB  ASN K 200     103.039  -9.780  40.312  1.00 15.84           C  
-ATOM  18143  CG  ASN K 200     104.535 -10.130  40.555  1.00 17.32           C  
-ATOM  18144  OD1 ASN K 200     104.908 -11.306  40.533  1.00 17.95           O  
-ATOM  18145  ND2 ASN K 200     105.374  -9.128  40.817  1.00 18.51           N  
-ATOM  18146  N   PHE K 201     104.251  -7.202  38.232  1.00 14.34           N  
-ATOM  18147  CA  PHE K 201     104.763  -6.860  36.908  1.00 14.02           C  
-ATOM  18148  C   PHE K 201     106.216  -6.429  36.971  1.00 13.85           C  
-ATOM  18149  O   PHE K 201     106.736  -6.077  38.052  1.00 13.61           O  
-ATOM  18150  CB  PHE K 201     103.904  -5.775  36.257  1.00 14.42           C  
-ATOM  18151  CG  PHE K 201     104.061  -4.403  36.881  1.00 15.31           C  
-ATOM  18152  CD1 PHE K 201     103.503  -4.111  38.123  1.00 15.66           C  
-ATOM  18153  CD2 PHE K 201     104.759  -3.409  36.214  1.00 16.01           C  
-ATOM  18154  CE1 PHE K 201     103.645  -2.842  38.697  1.00 16.27           C  
-ATOM  18155  CE2 PHE K 201     104.917  -2.145  36.775  1.00 16.33           C  
-ATOM  18156  CZ  PHE K 201     104.365  -1.861  38.015  1.00 16.53           C  
-ATOM  18157  N   ARG K 202     106.892  -6.491  35.821  1.00 14.26           N  
-ATOM  18158  CA  ARG K 202     108.280  -6.033  35.739  1.00 13.96           C  
-ATOM  18159  C   ARG K 202     108.600  -5.317  34.415  1.00 14.35           C  
-ATOM  18160  O   ARG K 202     107.933  -5.506  33.398  1.00 13.87           O  
-ATOM  18161  CB  ARG K 202     109.253  -7.193  36.020  1.00 13.52           C  
-ATOM  18162  CG  ARG K 202     109.564  -8.075  34.822  1.00 13.00           C  
-ATOM  18163  CD  ARG K 202     110.642  -9.200  35.046  1.00 11.85           C  
-ATOM  18164  NE  ARG K 202     110.265 -10.379  34.266  1.00 12.79           N  
-ATOM  18165  CZ  ARG K 202     110.868 -11.561  34.271  1.00 13.30           C  
-ATOM  18166  NH1 ARG K 202     111.946 -11.782  35.016  1.00 15.62           N  
-ATOM  18167  NH2 ARG K 202     110.396 -12.533  33.497  1.00 13.02           N  
-ATOM  18168  N   LYS K 203     109.609  -4.461  34.449  1.00 15.13           N  
-ATOM  18169  CA  LYS K 203     110.216  -3.966  33.229  1.00 16.02           C  
-ATOM  18170  C   LYS K 203     110.861  -5.184  32.550  1.00 16.57           C  
-ATOM  18171  O   LYS K 203     111.586  -5.935  33.215  1.00 16.51           O  
-ATOM  18172  CB  LYS K 203     111.229  -2.859  33.582  1.00 15.75           C  
-ATOM  18173  CG  LYS K 203     112.255  -2.499  32.505  1.00 17.23           C  
-ATOM  18174  CD  LYS K 203     111.611  -1.945  31.235  1.00 17.95           C  
-ATOM  18175  CE  LYS K 203     112.254  -2.592  29.976  1.00 18.47           C  
-ATOM  18176  NZ  LYS K 203     111.365  -2.797  28.776  1.00 12.41           N  
-ATOM  18177  N   LYS K 204     110.569  -5.415  31.264  1.00 17.29           N  
-ATOM  18178  CA  LYS K 204     111.145  -6.575  30.545  1.00 18.49           C  
-ATOM  18179  C   LYS K 204     112.564  -6.365  29.994  1.00 19.22           C  
-ATOM  18180  O   LYS K 204     113.028  -5.229  29.902  1.00 19.58           O  
-ATOM  18181  CB  LYS K 204     110.216  -7.113  29.458  1.00 18.74           C  
-ATOM  18182  CG  LYS K 204     109.615  -6.082  28.517  1.00 20.39           C  
-ATOM  18183  CD  LYS K 204     109.251  -6.747  27.185  1.00 20.04           C  
-ATOM  18184  CE  LYS K 204     107.762  -6.841  27.007  1.00 18.01           C  
-ATOM  18185  NZ  LYS K 204     107.346  -6.276  25.696  1.00 19.20           N  
-ATOM  18186  N   GLY K 205     113.244  -7.463  29.639  1.00 19.56           N  
-ATOM  18187  CA  GLY K 205     114.669  -7.446  29.326  1.00 19.95           C  
-ATOM  18188  C   GLY K 205     115.068  -6.847  27.987  1.00 20.31           C  
-ATOM  18189  O   GLY K 205     114.176  -6.466  27.108  1.00 20.00           O  
-TER   18190      GLY K 205                                                      
-ATOM  18191  N   GLU L   0      55.227   2.423  55.142  1.00 23.20           N  
-ATOM  18192  CA  GLU L   0      56.178   1.522  54.422  1.00 23.60           C  
-ATOM  18193  C   GLU L   0      56.618   2.038  53.042  1.00 23.44           C  
-ATOM  18194  O   GLU L   0      55.922   1.833  52.041  1.00 23.91           O  
-ATOM  18195  CB  GLU L   0      55.572   0.127  54.291  1.00 23.83           C  
-ATOM  18196  CG  GLU L   0      56.529  -0.961  53.801  1.00 24.77           C  
-ATOM  18197  CD  GLU L   0      56.063  -2.364  54.196  1.00 28.27           C  
-ATOM  18198  OE1 GLU L   0      54.824  -2.607  54.235  1.00 27.74           O  
-ATOM  18199  OE2 GLU L   0      56.937  -3.225  54.482  1.00 27.98           O  
-ATOM  18200  N   PHE L   1      57.779   2.686  52.995  1.00 22.83           N  
-ATOM  18201  CA  PHE L   1      58.375   3.123  51.736  1.00 22.51           C  
-ATOM  18202  C   PHE L   1      59.511   2.197  51.383  1.00 21.86           C  
-ATOM  18203  O   PHE L   1      60.217   1.728  52.259  1.00 22.22           O  
-ATOM  18204  CB  PHE L   1      58.972   4.535  51.844  1.00 22.46           C  
-ATOM  18205  CG  PHE L   1      58.058   5.542  52.460  1.00 24.46           C  
-ATOM  18206  CD1 PHE L   1      56.987   6.062  51.734  1.00 26.26           C  
-ATOM  18207  CD2 PHE L   1      58.253   5.966  53.763  1.00 25.68           C  
-ATOM  18208  CE1 PHE L   1      56.131   6.996  52.295  1.00 27.88           C  
-ATOM  18209  CE2 PHE L   1      57.401   6.915  54.342  1.00 26.82           C  
-ATOM  18210  CZ  PHE L   1      56.343   7.430  53.608  1.00 28.24           C  
-ATOM  18211  N   ASP L   2      59.712   1.940  50.101  1.00 20.99           N  
-ATOM  18212  CA  ASP L   2      60.924   1.244  49.697  1.00 20.31           C  
-ATOM  18213  C   ASP L   2      61.910   2.282  49.195  1.00 19.36           C  
-ATOM  18214  O   ASP L   2      61.590   3.493  49.144  1.00 18.87           O  
-ATOM  18215  CB  ASP L   2      60.633   0.122  48.678  1.00 20.73           C  
-ATOM  18216  CG  ASP L   2      60.024   0.637  47.361  1.00 22.01           C  
-ATOM  18217  OD1 ASP L   2      60.089   1.867  47.070  1.00 22.65           O  
-ATOM  18218  OD2 ASP L   2      59.466  -0.136  46.545  1.00 23.73           O  
-ATOM  18219  N   ARG L   3      63.113   1.837  48.841  1.00 18.60           N  
-ATOM  18220  CA  ARG L   3      64.160   2.778  48.406  1.00 17.88           C  
-ATOM  18221  C   ARG L   3      63.713   3.648  47.234  1.00 17.25           C  
-ATOM  18222  O   ARG L   3      63.976   4.878  47.212  1.00 17.22           O  
-ATOM  18223  CB  ARG L   3      65.431   2.034  48.034  1.00 17.97           C  
-ATOM  18224  CG  ARG L   3      66.388   1.837  49.189  1.00 18.80           C  
-ATOM  18225  CD  ARG L   3      67.364   0.658  49.011  1.00 19.43           C  
-ATOM  18226  NE  ARG L   3      68.160   0.472  50.221  1.00 22.20           N  
-ATOM  18227  CZ  ARG L   3      67.969  -0.488  51.127  1.00 25.75           C  
-ATOM  18228  NH1 ARG L   3      67.010  -1.411  50.984  1.00 27.28           N  
-ATOM  18229  NH2 ARG L   3      68.764  -0.536  52.191  1.00 26.41           N  
-ATOM  18230  N   ALA L   4      63.064   3.020  46.259  1.00 15.98           N  
-ATOM  18231  CA  ALA L   4      62.551   3.725  45.095  1.00 15.70           C  
-ATOM  18232  C   ALA L   4      61.613   4.879  45.495  1.00 15.73           C  
-ATOM  18233  O   ALA L   4      61.702   5.960  44.917  1.00 15.18           O  
-ATOM  18234  CB  ALA L   4      61.853   2.759  44.132  1.00 15.43           C  
-ATOM  18235  N   ASP L   5      60.742   4.645  46.481  1.00 15.78           N  
-ATOM  18236  CA  ASP L   5      59.799   5.652  46.957  1.00 16.63           C  
-ATOM  18237  C   ASP L   5      60.534   6.797  47.644  1.00 16.00           C  
-ATOM  18238  O   ASP L   5      60.237   7.965  47.403  1.00 15.94           O  
-ATOM  18239  CB  ASP L   5      58.798   5.062  47.947  1.00 17.24           C  
-ATOM  18240  CG  ASP L   5      57.855   4.073  47.314  1.00 20.77           C  
-ATOM  18241  OD1 ASP L   5      57.605   4.170  46.087  1.00 24.09           O  
-ATOM  18242  OD2 ASP L   5      57.301   3.174  47.989  1.00 25.16           O  
-ATOM  18243  N   ILE L   6      61.492   6.454  48.505  1.00 15.39           N  
-ATOM  18244  CA  ILE L   6      62.260   7.458  49.215  1.00 14.71           C  
-ATOM  18245  C   ILE L   6      62.963   8.356  48.186  1.00 14.73           C  
-ATOM  18246  O   ILE L   6      62.890   9.592  48.261  1.00 13.59           O  
-ATOM  18247  CB  ILE L   6      63.249   6.805  50.226  1.00 14.80           C  
-ATOM  18248  CG1 ILE L   6      62.496   6.043  51.321  1.00 14.16           C  
-ATOM  18249  CG2 ILE L   6      64.162   7.858  50.881  1.00 14.03           C  
-ATOM  18250  CD1 ILE L   6      63.341   4.945  52.000  1.00 12.98           C  
-ATOM  18251  N   LEU L   7      63.588   7.723  47.195  1.00 15.01           N  
-ATOM  18252  CA  LEU L   7      64.410   8.432  46.228  1.00 15.77           C  
-ATOM  18253  C   LEU L   7      63.565   9.275  45.272  1.00 15.76           C  
-ATOM  18254  O   LEU L   7      63.922  10.418  44.945  1.00 15.02           O  
-ATOM  18255  CB  LEU L   7      65.369   7.482  45.496  1.00 16.25           C  
-ATOM  18256  CG  LEU L   7      66.556   7.057  46.374  1.00 17.26           C  
-ATOM  18257  CD1 LEU L   7      67.087   5.742  45.916  1.00 19.11           C  
-ATOM  18258  CD2 LEU L   7      67.643   8.068  46.342  1.00 19.11           C  
-ATOM  18259  N   TYR L   8      62.413   8.735  44.898  1.00 16.00           N  
-ATOM  18260  CA  TYR L   8      61.435   9.468  44.121  1.00 16.80           C  
-ATOM  18261  C   TYR L   8      60.996  10.722  44.888  1.00 16.65           C  
-ATOM  18262  O   TYR L   8      61.037  11.833  44.350  1.00 16.12           O  
-ATOM  18263  CB  TYR L   8      60.236   8.569  43.794  1.00 17.48           C  
-ATOM  18264  CG  TYR L   8      59.121   9.227  43.013  1.00 20.98           C  
-ATOM  18265  CD1 TYR L   8      59.280   9.551  41.653  1.00 24.40           C  
-ATOM  18266  CD2 TYR L   8      57.910   9.544  43.633  1.00 23.19           C  
-ATOM  18267  CE1 TYR L   8      58.256  10.167  40.936  1.00 26.01           C  
-ATOM  18268  CE2 TYR L   8      56.878  10.155  42.930  1.00 25.44           C  
-ATOM  18269  CZ  TYR L   8      57.054  10.460  41.579  1.00 26.90           C  
-ATOM  18270  OH  TYR L   8      56.021  11.066  40.879  1.00 28.48           O  
-ATOM  18271  N   ASN L   9      60.599  10.549  46.147  1.00 16.48           N  
-ATOM  18272  CA  ASN L   9      60.093  11.664  46.929  1.00 16.50           C  
-ATOM  18273  C   ASN L   9      61.151  12.763  47.127  1.00 16.45           C  
-ATOM  18274  O   ASN L   9      60.839  13.951  47.051  1.00 15.65           O  
-ATOM  18275  CB  ASN L   9      59.555  11.157  48.253  1.00 16.64           C  
-ATOM  18276  CG  ASN L   9      58.244  10.387  48.093  1.00 18.53           C  
-ATOM  18277  OD1 ASN L   9      57.610  10.403  47.020  1.00 19.45           O  
-ATOM  18278  ND2 ASN L   9      57.841   9.705  49.152  1.00 17.68           N  
-ATOM  18279  N   ILE L  10      62.399  12.356  47.364  1.00 16.39           N  
-ATOM  18280  CA  ILE L  10      63.514  13.293  47.438  1.00 16.48           C  
-ATOM  18281  C   ILE L  10      63.748  14.025  46.111  1.00 17.32           C  
-ATOM  18282  O   ILE L  10      63.854  15.236  46.100  1.00 16.26           O  
-ATOM  18283  CB  ILE L  10      64.814  12.599  47.915  1.00 16.57           C  
-ATOM  18284  CG1 ILE L  10      64.707  12.220  49.415  1.00 15.49           C  
-ATOM  18285  CG2 ILE L  10      66.041  13.474  47.626  1.00 15.66           C  
-ATOM  18286  CD1 ILE L  10      65.805  11.322  49.891  1.00 13.71           C  
-ATOM  18287  N   ARG L  11      63.864  13.298  45.004  1.00 18.27           N  
-ATOM  18288  CA  ARG L  11      64.116  13.922  43.708  1.00 20.12           C  
-ATOM  18289  C   ARG L  11      62.978  14.879  43.279  1.00 20.65           C  
-ATOM  18290  O   ARG L  11      63.210  15.889  42.596  1.00 20.14           O  
-ATOM  18291  CB  ARG L  11      64.340  12.843  42.639  1.00 20.77           C  
-ATOM  18292  CG  ARG L  11      64.797  13.376  41.299  1.00 25.63           C  
-ATOM  18293  CD  ARG L  11      64.883  12.325  40.168  1.00 33.47           C  
-ATOM  18294  NE  ARG L  11      65.778  12.813  39.112  1.00 39.25           N  
-ATOM  18295  CZ  ARG L  11      65.418  13.039  37.845  1.00 41.53           C  
-ATOM  18296  NH1 ARG L  11      64.171  12.797  37.440  1.00 41.95           N  
-ATOM  18297  NH2 ARG L  11      66.316  13.506  36.981  1.00 42.49           N  
-ATOM  18298  N   GLN L  12      61.755  14.561  43.692  1.00 21.31           N  
-ATOM  18299  CA  GLN L  12      60.597  15.337  43.272  1.00 22.29           C  
-ATOM  18300  C   GLN L  12      60.386  16.610  44.081  1.00 22.34           C  
-ATOM  18301  O   GLN L  12      59.803  17.555  43.588  1.00 23.34           O  
-ATOM  18302  CB  GLN L  12      59.352  14.476  43.304  1.00 22.29           C  
-ATOM  18303  CG  GLN L  12      59.207  13.609  42.090  1.00 23.79           C  
-ATOM  18304  CD  GLN L  12      58.782  14.421  40.898  1.00 27.96           C  
-ATOM  18305  OE1 GLN L  12      57.588  14.774  40.759  1.00 28.36           O  
-ATOM  18306  NE2 GLN L  12      59.746  14.750  40.037  1.00 27.91           N  
-ATOM  18307  N   THR L  13      60.853  16.640  45.318  1.00 22.08           N  
-ATOM  18308  CA  THR L  13      60.614  17.803  46.153  1.00 22.62           C  
-ATOM  18309  C   THR L  13      61.908  18.548  46.469  1.00 23.58           C  
-ATOM  18310  O   THR L  13      61.884  19.679  46.957  1.00 23.14           O  
-ATOM  18311  CB  THR L  13      59.905  17.406  47.451  1.00 22.39           C  
-ATOM  18312  OG1 THR L  13      60.741  16.525  48.194  1.00 21.24           O  
-ATOM  18313  CG2 THR L  13      58.670  16.583  47.158  1.00 21.80           C  
-ATOM  18314  N   SER L  14      63.028  17.875  46.198  1.00 24.72           N  
-ATOM  18315  CA  SER L  14      64.378  18.427  46.260  1.00 25.05           C  
-ATOM  18316  C   SER L  14      64.364  19.890  45.829  1.00 24.80           C  
-ATOM  18317  O   SER L  14      63.904  20.217  44.704  1.00 24.70           O  
-ATOM  18318  CB  SER L  14      65.304  17.639  45.298  1.00 26.27           C  
-ATOM  18319  OG  SER L  14      65.039  17.897  43.900  1.00 25.34           O  
-ATOM  18320  N   ARG L  15      64.834  20.751  46.728  1.00 23.16           N  
-ATOM  18321  CA  ARG L  15      65.164  22.131  46.370  1.00 22.72           C  
-ATOM  18322  C   ARG L  15      66.689  22.374  46.521  1.00 21.62           C  
-ATOM  18323  O   ARG L  15      67.142  23.005  47.463  1.00 20.76           O  
-ATOM  18324  CB  ARG L  15      64.334  23.106  47.220  1.00 23.09           C  
-ATOM  18325  CG  ARG L  15      62.852  23.148  46.877  1.00 23.14           C  
-ATOM  18326  CD  ARG L  15      62.546  23.794  45.488  1.00 26.05           C  
-ATOM  18327  NE  ARG L  15      63.083  25.160  45.280  1.00 27.29           N  
-ATOM  18328  CZ  ARG L  15      62.491  26.308  45.672  1.00 25.25           C  
-ATOM  18329  NH1 ARG L  15      61.346  26.305  46.335  1.00 22.30           N  
-ATOM  18330  NH2 ARG L  15      63.057  27.470  45.396  1.00 25.28           N  
-ATOM  18331  N   PRO L  16      67.487  21.834  45.604  1.00 21.64           N  
-ATOM  18332  CA  PRO L  16      68.962  21.946  45.702  1.00 21.29           C  
-ATOM  18333  C   PRO L  16      69.480  23.391  45.847  1.00 21.18           C  
-ATOM  18334  O   PRO L  16      70.544  23.596  46.457  1.00 21.62           O  
-ATOM  18335  CB  PRO L  16      69.439  21.346  44.399  1.00 20.86           C  
-ATOM  18336  CG  PRO L  16      68.364  20.420  44.057  1.00 20.92           C  
-ATOM  18337  CD  PRO L  16      67.073  21.100  44.395  1.00 20.88           C  
-ATOM  18338  N   ASP L  17      68.740  24.369  45.340  1.00 19.53           N  
-ATOM  18339  CA  ASP L  17      69.183  25.753  45.447  1.00 19.57           C  
-ATOM  18340  C   ASP L  17      68.783  26.409  46.774  1.00 18.94           C  
-ATOM  18341  O   ASP L  17      69.142  27.551  47.040  1.00 17.22           O  
-ATOM  18342  CB  ASP L  17      68.714  26.567  44.236  1.00 20.33           C  
-ATOM  18343  CG  ASP L  17      69.217  25.982  42.892  1.00 23.96           C  
-ATOM  18344  OD1 ASP L  17      70.399  25.567  42.815  1.00 28.43           O  
-ATOM  18345  OD2 ASP L  17      68.507  25.887  41.858  1.00 28.83           O  
-ATOM  18346  N   VAL L  18      68.082  25.670  47.636  1.00 17.74           N  
-ATOM  18347  CA  VAL L  18      67.576  26.267  48.870  1.00 17.43           C  
-ATOM  18348  C   VAL L  18      68.328  25.782  50.126  1.00 17.47           C  
-ATOM  18349  O   VAL L  18      68.232  24.616  50.503  1.00 17.08           O  
-ATOM  18350  CB  VAL L  18      66.036  26.050  49.024  1.00 17.60           C  
-ATOM  18351  CG1 VAL L  18      65.521  26.689  50.285  1.00 17.07           C  
-ATOM  18352  CG2 VAL L  18      65.275  26.603  47.813  1.00 16.14           C  
-ATOM  18353  N   ILE L  19      69.065  26.687  50.769  1.00 17.56           N  
-ATOM  18354  CA  ILE L  19      69.750  26.381  52.008  1.00 17.97           C  
-ATOM  18355  C   ILE L  19      68.722  25.958  53.083  1.00 18.94           C  
-ATOM  18356  O   ILE L  19      67.755  26.668  53.316  1.00 18.55           O  
-ATOM  18357  CB  ILE L  19      70.634  27.566  52.462  1.00 18.02           C  
-ATOM  18358  CG1 ILE L  19      71.406  27.231  53.742  1.00 17.38           C  
-ATOM  18359  CG2 ILE L  19      69.822  28.870  52.644  1.00 16.83           C  
-ATOM  18360  CD1 ILE L  19      72.476  28.175  54.048  1.00 16.09           C  
-ATOM  18361  N   PRO L  20      68.909  24.780  53.695  1.00 20.12           N  
-ATOM  18362  CA  PRO L  20      67.914  24.216  54.625  1.00 21.25           C  
-ATOM  18363  C   PRO L  20      67.967  24.876  55.996  1.00 22.96           C  
-ATOM  18364  O   PRO L  20      68.137  24.226  57.042  1.00 23.18           O  
-ATOM  18365  CB  PRO L  20      68.311  22.753  54.717  1.00 20.74           C  
-ATOM  18366  CG  PRO L  20      69.737  22.726  54.506  1.00 20.74           C  
-ATOM  18367  CD  PRO L  20      70.051  23.878  53.524  1.00 20.37           C  
-ATOM  18368  N   THR L  21      67.815  26.191  55.979  1.00 24.83           N  
-ATOM  18369  CA  THR L  21      67.804  27.003  57.183  1.00 27.35           C  
-ATOM  18370  C   THR L  21      66.547  26.680  57.990  1.00 28.77           C  
-ATOM  18371  O   THR L  21      65.438  26.637  57.437  1.00 29.12           O  
-ATOM  18372  CB  THR L  21      67.898  28.482  56.767  1.00 27.17           C  
-ATOM  18373  OG1 THR L  21      69.224  28.978  57.037  1.00 28.51           O  
-ATOM  18374  CG2 THR L  21      66.990  29.351  57.563  1.00 28.49           C  
-ATOM  18375  N   GLN L  22      66.744  26.389  59.279  1.00 30.23           N  
-ATOM  18376  CA  GLN L  22      65.658  26.031  60.196  1.00 32.23           C  
-ATOM  18377  C   GLN L  22      65.494  27.102  61.277  1.00 32.57           C  
-ATOM  18378  O   GLN L  22      66.392  27.266  62.097  1.00 32.61           O  
-ATOM  18379  CB  GLN L  22      65.940  24.676  60.859  1.00 32.61           C  
-ATOM  18380  CG  GLN L  22      65.647  23.432  59.987  1.00 35.25           C  
-ATOM  18381  CD  GLN L  22      64.332  23.500  59.163  1.00 37.99           C  
-ATOM  18382  OE1 GLN L  22      64.349  23.263  57.941  1.00 38.66           O  
-ATOM  18383  NE2 GLN L  22      63.209  23.798  59.831  1.00 37.31           N  
-ATOM  18384  N   ARG L  23      64.367  27.823  61.261  1.00 33.08           N  
-ATOM  18385  CA  ARG L  23      64.081  28.941  62.199  1.00 34.14           C  
-ATOM  18386  C   ARG L  23      65.158  30.036  62.224  1.00 34.32           C  
-ATOM  18387  O   ARG L  23      65.459  30.630  63.274  1.00 34.76           O  
-ATOM  18388  CB  ARG L  23      63.800  28.440  63.621  1.00 34.13           C  
-ATOM  18389  CG  ARG L  23      62.924  29.395  64.434  1.00 35.92           C  
-ATOM  18390  CD  ARG L  23      62.836  29.050  65.908  1.00 38.06           C  
-ATOM  18391  NE  ARG L  23      61.944  27.914  66.152  1.00 39.08           N  
-ATOM  18392  CZ  ARG L  23      60.780  27.996  66.801  1.00 39.49           C  
-ATOM  18393  NH1 ARG L  23      60.347  29.164  67.278  1.00 38.29           N  
-ATOM  18394  NH2 ARG L  23      60.046  26.903  66.973  1.00 38.92           N  
-ATOM  18395  N   ASP L  24      65.724  30.289  61.046  1.00 34.39           N  
-ATOM  18396  CA  ASP L  24      66.847  31.212  60.864  1.00 34.71           C  
-ATOM  18397  C   ASP L  24      68.054  31.004  61.821  1.00 33.52           C  
-ATOM  18398  O   ASP L  24      68.799  31.945  62.153  1.00 33.90           O  
-ATOM  18399  CB  ASP L  24      66.359  32.677  60.768  1.00 35.29           C  
-ATOM  18400  CG  ASP L  24      65.606  32.963  59.443  1.00 37.47           C  
-ATOM  18401  OD1 ASP L  24      66.024  32.451  58.358  1.00 37.99           O  
-ATOM  18402  OD2 ASP L  24      64.579  33.689  59.401  1.00 38.47           O  
-ATOM  18403  N   ARG L  25      68.226  29.750  62.244  1.00 31.63           N  
-ATOM  18404  CA  ARG L  25      69.507  29.255  62.730  1.00 29.24           C  
-ATOM  18405  C   ARG L  25      70.386  29.086  61.497  1.00 26.14           C  
-ATOM  18406  O   ARG L  25      69.880  28.786  60.422  1.00 26.03           O  
-ATOM  18407  CB  ARG L  25      69.333  27.897  63.409  1.00 29.88           C  
-ATOM  18408  CG  ARG L  25      69.138  27.982  64.903  1.00 32.50           C  
-ATOM  18409  CD  ARG L  25      70.336  27.476  65.711  1.00 37.70           C  
-ATOM  18410  NE  ARG L  25      71.383  28.484  65.954  1.00 39.67           N  
-ATOM  18411  CZ  ARG L  25      71.186  29.694  66.484  1.00 40.18           C  
-ATOM  18412  NH1 ARG L  25      69.967  30.085  66.825  1.00 40.57           N  
-ATOM  18413  NH2 ARG L  25      72.215  30.520  66.667  1.00 40.23           N  
-ATOM  18414  N   PRO L  26      71.689  29.298  61.629  1.00 23.03           N  
-ATOM  18415  CA  PRO L  26      72.618  28.890  60.565  1.00 21.30           C  
-ATOM  18416  C   PRO L  26      72.602  27.369  60.402  1.00 19.85           C  
-ATOM  18417  O   PRO L  26      72.394  26.661  61.363  1.00 19.30           O  
-ATOM  18418  CB  PRO L  26      73.981  29.377  61.075  1.00 21.08           C  
-ATOM  18419  CG  PRO L  26      73.804  29.569  62.535  1.00 21.70           C  
-ATOM  18420  CD  PRO L  26      72.375  29.945  62.757  1.00 22.38           C  
-ATOM  18421  N   VAL L  27      72.788  26.885  59.185  1.00 18.61           N  
-ATOM  18422  CA  VAL L  27      73.008  25.463  58.946  1.00 17.95           C  
-ATOM  18423  C   VAL L  27      74.396  25.111  59.480  1.00 17.44           C  
-ATOM  18424  O   VAL L  27      75.411  25.646  59.004  1.00 17.01           O  
-ATOM  18425  CB  VAL L  27      72.882  25.113  57.451  1.00 17.73           C  
-ATOM  18426  CG1 VAL L  27      73.265  23.652  57.187  1.00 17.79           C  
-ATOM  18427  CG2 VAL L  27      71.479  25.375  56.983  1.00 17.67           C  
-ATOM  18428  N   ALA L  28      74.430  24.251  60.498  1.00 16.56           N  
-ATOM  18429  CA  ALA L  28      75.692  23.769  61.038  1.00 16.24           C  
-ATOM  18430  C   ALA L  28      76.315  22.722  60.125  1.00 16.17           C  
-ATOM  18431  O   ALA L  28      75.793  21.608  60.003  1.00 16.05           O  
-ATOM  18432  CB  ALA L  28      75.491  23.201  62.465  1.00 15.94           C  
-ATOM  18433  N   VAL L  29      77.439  23.077  59.503  1.00 16.09           N  
-ATOM  18434  CA  VAL L  29      78.167  22.181  58.603  1.00 16.36           C  
-ATOM  18435  C   VAL L  29      79.462  21.770  59.276  1.00 17.41           C  
-ATOM  18436  O   VAL L  29      80.179  22.617  59.775  1.00 17.62           O  
-ATOM  18437  CB  VAL L  29      78.480  22.894  57.267  1.00 16.33           C  
-ATOM  18438  CG1 VAL L  29      79.340  22.017  56.325  1.00 15.35           C  
-ATOM  18439  CG2 VAL L  29      77.181  23.331  56.560  1.00 15.44           C  
-ATOM  18440  N   SER L  30      79.728  20.465  59.333  1.00 18.22           N  
-ATOM  18441  CA  SER L  30      80.971  19.931  59.866  1.00 19.17           C  
-ATOM  18442  C   SER L  30      81.831  19.497  58.707  1.00 19.52           C  
-ATOM  18443  O   SER L  30      81.320  18.907  57.745  1.00 19.39           O  
-ATOM  18444  CB  SER L  30      80.699  18.741  60.744  1.00 18.78           C  
-ATOM  18445  OG  SER L  30      79.904  19.150  61.834  1.00 21.52           O  
-ATOM  18446  N   VAL L  31      83.119  19.825  58.776  1.00 19.74           N  
-ATOM  18447  CA  VAL L  31      84.052  19.462  57.715  1.00 20.90           C  
-ATOM  18448  C   VAL L  31      85.289  18.919  58.354  1.00 21.31           C  
-ATOM  18449  O   VAL L  31      85.758  19.441  59.355  1.00 21.54           O  
-ATOM  18450  CB  VAL L  31      84.530  20.659  56.862  1.00 21.64           C  
-ATOM  18451  CG1 VAL L  31      85.008  20.169  55.481  1.00 21.40           C  
-ATOM  18452  CG2 VAL L  31      83.462  21.727  56.726  1.00 22.34           C  
-ATOM  18453  N   SER L  32      85.830  17.885  57.742  1.00 21.68           N  
-ATOM  18454  CA  SER L  32      87.030  17.253  58.206  1.00 22.78           C  
-ATOM  18455  C   SER L  32      87.748  16.724  56.978  1.00 22.65           C  
-ATOM  18456  O   SER L  32      87.105  16.179  56.076  1.00 22.98           O  
-ATOM  18457  CB  SER L  32      86.631  16.121  59.151  1.00 23.00           C  
-ATOM  18458  OG  SER L  32      87.745  15.324  59.485  1.00 27.34           O  
-ATOM  18459  N   LEU L  33      89.064  16.905  56.908  1.00 22.36           N  
-ATOM  18460  CA  LEU L  33      89.817  16.403  55.763  1.00 21.80           C  
-ATOM  18461  C   LEU L  33      90.575  15.169  56.210  1.00 21.79           C  
-ATOM  18462  O   LEU L  33      91.265  15.210  57.221  1.00 21.96           O  
-ATOM  18463  CB  LEU L  33      90.767  17.463  55.191  1.00 21.28           C  
-ATOM  18464  CG  LEU L  33      90.226  18.842  54.779  1.00 21.50           C  
-ATOM  18465  CD1 LEU L  33      91.318  19.667  54.048  1.00 19.80           C  
-ATOM  18466  CD2 LEU L  33      88.953  18.800  53.924  1.00 20.75           C  
-ATOM  18467  N   LYS L  34      90.408  14.057  55.494  1.00 21.29           N  
-ATOM  18468  CA  LYS L  34      91.200  12.862  55.760  1.00 20.53           C  
-ATOM  18469  C   LYS L  34      92.208  12.715  54.642  1.00 19.77           C  
-ATOM  18470  O   LYS L  34      91.852  12.412  53.492  1.00 19.43           O  
-ATOM  18471  CB  LYS L  34      90.342  11.602  55.835  1.00 21.15           C  
-ATOM  18472  CG  LYS L  34      89.014  11.760  56.556  1.00 23.46           C  
-ATOM  18473  CD  LYS L  34      89.196  11.680  58.051  1.00 27.36           C  
-ATOM  18474  CE  LYS L  34      87.923  12.124  58.775  1.00 30.17           C  
-ATOM  18475  NZ  LYS L  34      88.152  12.309  60.237  1.00 33.43           N  
-ATOM  18476  N   PHE L  35      93.472  12.910  54.979  1.00 18.32           N  
-ATOM  18477  CA  PHE L  35      94.506  12.956  53.965  1.00 17.40           C  
-ATOM  18478  C   PHE L  35      94.890  11.569  53.497  1.00 17.02           C  
-ATOM  18479  O   PHE L  35      95.106  10.638  54.305  1.00 16.71           O  
-ATOM  18480  CB  PHE L  35      95.692  13.773  54.453  1.00 17.08           C  
-ATOM  18481  CG  PHE L  35      95.387  15.240  54.597  1.00 17.53           C  
-ATOM  18482  CD1 PHE L  35      95.430  16.089  53.485  1.00 18.44           C  
-ATOM  18483  CD2 PHE L  35      95.052  15.782  55.828  1.00 18.24           C  
-ATOM  18484  CE1 PHE L  35      95.154  17.471  53.610  1.00 19.12           C  
-ATOM  18485  CE2 PHE L  35      94.778  17.149  55.963  1.00 17.81           C  
-ATOM  18486  CZ  PHE L  35      94.824  17.990  54.857  1.00 18.29           C  
-ATOM  18487  N   ILE L  36      94.945  11.407  52.184  1.00 16.38           N  
-ATOM  18488  CA  ILE L  36      95.195  10.090  51.607  1.00 16.19           C  
-ATOM  18489  C   ILE L  36      96.568  10.066  50.981  1.00 16.57           C  
-ATOM  18490  O   ILE L  36      97.271   9.069  51.043  1.00 15.86           O  
-ATOM  18491  CB  ILE L  36      94.096   9.708  50.554  1.00 15.91           C  
-ATOM  18492  CG1 ILE L  36      92.698   9.950  51.112  1.00 15.68           C  
-ATOM  18493  CG2 ILE L  36      94.243   8.238  50.098  1.00 14.99           C  
-ATOM  18494  CD1 ILE L  36      92.357   9.189  52.412  1.00 13.76           C  
-ATOM  18495  N   ASN L  37      96.937  11.176  50.353  1.00 16.99           N  
-ATOM  18496  CA  ASN L  37      98.204  11.246  49.650  1.00 18.16           C  
-ATOM  18497  C   ASN L  37      98.671  12.671  49.446  1.00 18.78           C  
-ATOM  18498  O   ASN L  37      97.871  13.598  49.371  1.00 18.86           O  
-ATOM  18499  CB  ASN L  37      98.162  10.516  48.300  1.00 17.80           C  
-ATOM  18500  CG  ASN L  37      99.351   9.576  48.108  1.00 19.96           C  
-ATOM  18501  OD1 ASN L  37     100.548   9.952  48.324  1.00 19.52           O  
-ATOM  18502  ND2 ASN L  37      99.045   8.353  47.704  1.00 16.41           N  
-ATOM  18503  N   ILE L  38      99.989  12.828  49.423  1.00 19.30           N  
-ATOM  18504  CA  ILE L  38     100.612  14.063  49.043  1.00 19.68           C  
-ATOM  18505  C   ILE L  38     101.441  13.675  47.816  1.00 20.29           C  
-ATOM  18506  O   ILE L  38     102.348  12.877  47.910  1.00 20.48           O  
-ATOM  18507  CB  ILE L  38     101.458  14.588  50.198  1.00 19.76           C  
-ATOM  18508  CG1 ILE L  38     100.572  14.867  51.409  1.00 19.62           C  
-ATOM  18509  CG2 ILE L  38     102.221  15.844  49.774  1.00 19.38           C  
-ATOM  18510  CD1 ILE L  38     101.309  14.953  52.719  1.00 19.71           C  
-ATOM  18511  N   LEU L  39     101.085  14.228  46.664  1.00 21.26           N  
-ATOM  18512  CA  LEU L  39     101.601  13.771  45.382  1.00 21.84           C  
-ATOM  18513  C   LEU L  39     102.770  14.588  44.874  1.00 22.56           C  
-ATOM  18514  O   LEU L  39     103.658  14.074  44.176  1.00 22.94           O  
-ATOM  18515  CB  LEU L  39     100.485  13.807  44.353  1.00 21.60           C  
-ATOM  18516  CG  LEU L  39      99.276  12.983  44.807  1.00 22.92           C  
-ATOM  18517  CD1 LEU L  39      98.163  13.138  43.863  1.00 23.73           C  
-ATOM  18518  CD2 LEU L  39      99.631  11.509  44.930  1.00 23.13           C  
-ATOM  18519  N   GLU L  40     102.749  15.875  45.190  1.00 22.59           N  
-ATOM  18520  CA  GLU L  40     103.803  16.758  44.720  1.00 23.12           C  
-ATOM  18521  C   GLU L  40     103.919  17.930  45.657  1.00 22.18           C  
-ATOM  18522  O   GLU L  40     102.919  18.453  46.124  1.00 22.34           O  
-ATOM  18523  CB  GLU L  40     103.522  17.237  43.296  1.00 23.34           C  
-ATOM  18524  CG  GLU L  40     104.664  18.039  42.702  1.00 27.03           C  
-ATOM  18525  CD  GLU L  40     104.377  18.508  41.286  1.00 31.98           C  
-ATOM  18526  OE1 GLU L  40     103.189  18.821  40.954  1.00 33.00           O  
-ATOM  18527  OE2 GLU L  40     105.355  18.570  40.504  1.00 33.47           O  
-ATOM  18528  N   VAL L  41     105.160  18.307  45.926  1.00 21.39           N  
-ATOM  18529  CA  VAL L  41     105.497  19.373  46.851  1.00 20.69           C  
-ATOM  18530  C   VAL L  41     106.599  20.185  46.146  1.00 20.33           C  
-ATOM  18531  O   VAL L  41     107.475  19.631  45.473  1.00 19.53           O  
-ATOM  18532  CB  VAL L  41     105.935  18.748  48.220  1.00 20.87           C  
-ATOM  18533  CG1 VAL L  41     106.967  19.559  48.934  1.00 20.98           C  
-ATOM  18534  CG2 VAL L  41     104.727  18.506  49.117  1.00 20.54           C  
-ATOM  18535  N   ASN L  42     106.513  21.498  46.255  1.00 20.28           N  
-ATOM  18536  CA  ASN L  42     107.507  22.370  45.659  1.00 20.50           C  
-ATOM  18537  C   ASN L  42     107.872  23.420  46.676  1.00 20.55           C  
-ATOM  18538  O   ASN L  42     107.080  24.294  46.970  1.00 20.18           O  
-ATOM  18539  CB  ASN L  42     106.993  22.987  44.349  1.00 20.46           C  
-ATOM  18540  CG  ASN L  42     108.103  23.698  43.545  1.00 20.82           C  
-ATOM  18541  OD1 ASN L  42     108.979  24.365  44.102  1.00 21.40           O  
-ATOM  18542  ND2 ASN L  42     108.052  23.559  42.233  1.00 19.49           N  
-ATOM  18543  N   GLU L  43     109.073  23.293  47.239  1.00 21.30           N  
-ATOM  18544  CA  GLU L  43     109.531  24.212  48.274  1.00 21.93           C  
-ATOM  18545  C   GLU L  43     109.876  25.605  47.719  1.00 21.87           C  
-ATOM  18546  O   GLU L  43     109.804  26.583  48.451  1.00 21.60           O  
-ATOM  18547  CB  GLU L  43     110.696  23.615  49.059  1.00 22.37           C  
-ATOM  18548  CG  GLU L  43     110.685  23.980  50.538  1.00 24.29           C  
-ATOM  18549  CD  GLU L  43     111.851  23.398  51.328  1.00 27.28           C  
-ATOM  18550  OE1 GLU L  43     112.265  22.228  51.054  1.00 28.69           O  
-ATOM  18551  OE2 GLU L  43     112.341  24.113  52.238  1.00 27.32           O  
-ATOM  18552  N   ILE L  44     110.220  25.684  46.431  1.00 21.81           N  
-ATOM  18553  CA  ILE L  44     110.499  26.970  45.777  1.00 21.93           C  
-ATOM  18554  C   ILE L  44     109.204  27.775  45.594  1.00 21.59           C  
-ATOM  18555  O   ILE L  44     109.135  28.945  45.991  1.00 21.59           O  
-ATOM  18556  CB  ILE L  44     111.246  26.788  44.396  1.00 22.32           C  
-ATOM  18557  CG1 ILE L  44     112.538  25.953  44.525  1.00 22.69           C  
-ATOM  18558  CG2 ILE L  44     111.517  28.146  43.730  1.00 22.55           C  
-ATOM  18559  CD1 ILE L  44     113.533  26.468  45.511  1.00 24.09           C  
-ATOM  18560  N   THR L  45     108.177  27.145  45.022  1.00 20.87           N  
-ATOM  18561  CA  THR L  45     106.925  27.839  44.718  1.00 20.38           C  
-ATOM  18562  C   THR L  45     105.905  27.845  45.858  1.00 19.93           C  
-ATOM  18563  O   THR L  45     104.901  28.558  45.797  1.00 19.96           O  
-ATOM  18564  CB  THR L  45     106.272  27.297  43.424  1.00 20.54           C  
-ATOM  18565  OG1 THR L  45     105.920  25.921  43.598  1.00 20.65           O  
-ATOM  18566  CG2 THR L  45     107.263  27.283  42.250  1.00 20.14           C  
-ATOM  18567  N   ASN L  46     106.171  27.065  46.903  1.00 19.55           N  
-ATOM  18568  CA  ASN L  46     105.238  26.902  48.025  1.00 18.83           C  
-ATOM  18569  C   ASN L  46     103.883  26.349  47.554  1.00 18.69           C  
-ATOM  18570  O   ASN L  46     102.827  26.883  47.857  1.00 18.08           O  
-ATOM  18571  CB  ASN L  46     105.086  28.212  48.816  1.00 18.41           C  
-ATOM  18572  CG  ASN L  46     106.032  28.301  49.997  1.00 18.25           C  
-ATOM  18573  OD1 ASN L  46     106.438  27.284  50.575  1.00 17.58           O  
-ATOM  18574  ND2 ASN L  46     106.374  29.516  50.380  1.00 15.35           N  
-ATOM  18575  N   GLU L  47     103.939  25.271  46.789  1.00 18.85           N  
-ATOM  18576  CA  GLU L  47     102.737  24.651  46.258  1.00 19.52           C  
-ATOM  18577  C   GLU L  47     102.729  23.159  46.599  1.00 19.66           C  
-ATOM  18578  O   GLU L  47     103.783  22.529  46.627  1.00 19.53           O  
-ATOM  18579  CB  GLU L  47     102.654  24.873  44.739  1.00 19.69           C  
-ATOM  18580  CG  GLU L  47     102.377  26.338  44.342  1.00 21.73           C  
-ATOM  18581  CD  GLU L  47     102.500  26.625  42.834  1.00 25.88           C  
-ATOM  18582  OE1 GLU L  47     102.315  25.681  42.023  1.00 28.23           O  
-ATOM  18583  OE2 GLU L  47     102.760  27.797  42.443  1.00 27.78           O  
-ATOM  18584  N   VAL L  48     101.551  22.623  46.893  1.00 19.52           N  
-ATOM  18585  CA  VAL L  48     101.371  21.185  47.193  1.00 20.23           C  
-ATOM  18586  C   VAL L  48     100.165  20.621  46.445  1.00 20.21           C  
-ATOM  18587  O   VAL L  48      99.167  21.314  46.186  1.00 19.75           O  
-ATOM  18588  CB  VAL L  48     101.223  20.857  48.730  1.00 20.03           C  
-ATOM  18589  CG1 VAL L  48     102.395  21.351  49.512  1.00 20.71           C  
-ATOM  18590  CG2 VAL L  48      99.954  21.459  49.311  1.00 20.80           C  
-ATOM  18591  N   ASP L  49     100.286  19.356  46.082  1.00 20.82           N  
-ATOM  18592  CA  ASP L  49      99.261  18.641  45.325  1.00 21.52           C  
-ATOM  18593  C   ASP L  49      98.846  17.509  46.273  1.00 21.17           C  
-ATOM  18594  O   ASP L  49      99.694  16.707  46.686  1.00 20.71           O  
-ATOM  18595  CB  ASP L  49      99.881  18.097  44.018  1.00 22.17           C  
-ATOM  18596  CG  ASP L  49      98.844  17.654  42.974  1.00 25.05           C  
-ATOM  18597  OD1 ASP L  49      97.637  17.512  43.279  1.00 28.62           O  
-ATOM  18598  OD2 ASP L  49      99.163  17.399  41.793  1.00 28.81           O  
-ATOM  18599  N   VAL L  50      97.564  17.462  46.640  1.00 20.67           N  
-ATOM  18600  CA  VAL L  50      97.111  16.579  47.722  1.00 20.62           C  
-ATOM  18601  C   VAL L  50      95.819  15.836  47.349  1.00 19.75           C  
-ATOM  18602  O   VAL L  50      95.010  16.324  46.558  1.00 19.13           O  
-ATOM  18603  CB  VAL L  50      96.853  17.399  49.030  1.00 21.00           C  
-ATOM  18604  CG1 VAL L  50      96.393  16.504  50.153  1.00 22.74           C  
-ATOM  18605  CG2 VAL L  50      98.127  18.106  49.499  1.00 22.49           C  
-ATOM  18606  N   VAL L  51      95.629  14.663  47.948  1.00 18.79           N  
-ATOM  18607  CA  VAL L  51      94.387  13.899  47.824  1.00 17.53           C  
-ATOM  18608  C   VAL L  51      93.836  13.630  49.208  1.00 17.32           C  
-ATOM  18609  O   VAL L  51      94.540  13.100  50.061  1.00 16.87           O  
-ATOM  18610  CB  VAL L  51      94.586  12.520  47.145  1.00 17.93           C  
-ATOM  18611  CG1 VAL L  51      93.254  11.749  47.094  1.00 17.22           C  
-ATOM  18612  CG2 VAL L  51      95.193  12.671  45.737  1.00 17.32           C  
-ATOM  18613  N   PHE L  52      92.570  13.964  49.424  1.00 16.16           N  
-ATOM  18614  CA  PHE L  52      91.964  13.849  50.729  1.00 15.73           C  
-ATOM  18615  C   PHE L  52      90.490  13.542  50.577  1.00 15.34           C  
-ATOM  18616  O   PHE L  52      89.885  13.810  49.560  1.00 15.98           O  
-ATOM  18617  CB  PHE L  52      92.153  15.152  51.506  1.00 15.15           C  
-ATOM  18618  CG  PHE L  52      91.699  16.387  50.742  1.00 16.26           C  
-ATOM  18619  CD1 PHE L  52      92.598  17.112  49.963  1.00 14.02           C  
-ATOM  18620  CD2 PHE L  52      90.376  16.801  50.789  1.00 13.88           C  
-ATOM  18621  CE1 PHE L  52      92.183  18.240  49.239  1.00 16.54           C  
-ATOM  18622  CE2 PHE L  52      89.964  17.938  50.080  1.00 14.17           C  
-ATOM  18623  CZ  PHE L  52      90.874  18.652  49.309  1.00 13.83           C  
-ATOM  18624  N   TRP L  53      89.909  12.989  51.605  1.00 16.41           N  
-ATOM  18625  CA  TRP L  53      88.473  12.781  51.660  1.00 17.35           C  
-ATOM  18626  C   TRP L  53      87.913  13.956  52.445  1.00 17.93           C  
-ATOM  18627  O   TRP L  53      88.290  14.174  53.584  1.00 17.90           O  
-ATOM  18628  CB  TRP L  53      88.159  11.466  52.362  1.00 16.50           C  
-ATOM  18629  CG  TRP L  53      88.685  10.258  51.684  1.00 16.54           C  
-ATOM  18630  CD1 TRP L  53      89.176  10.167  50.404  1.00 16.81           C  
-ATOM  18631  CD2 TRP L  53      88.779   8.940  52.238  1.00 16.29           C  
-ATOM  18632  NE1 TRP L  53      89.577   8.875  50.145  1.00 17.56           N  
-ATOM  18633  CE2 TRP L  53      89.340   8.103  51.253  1.00 17.00           C  
-ATOM  18634  CE3 TRP L  53      88.464   8.385  53.483  1.00 18.66           C  
-ATOM  18635  CZ2 TRP L  53      89.569   6.744  51.463  1.00 18.93           C  
-ATOM  18636  CZ3 TRP L  53      88.704   7.017  53.702  1.00 19.28           C  
-ATOM  18637  CH2 TRP L  53      89.250   6.220  52.692  1.00 19.07           C  
-ATOM  18638  N   GLN L  54      87.040  14.728  51.816  1.00 18.89           N  
-ATOM  18639  CA  GLN L  54      86.398  15.880  52.464  1.00 19.80           C  
-ATOM  18640  C   GLN L  54      85.098  15.435  53.120  1.00 19.59           C  
-ATOM  18641  O   GLN L  54      84.035  15.441  52.512  1.00 19.46           O  
-ATOM  18642  CB  GLN L  54      86.150  16.993  51.446  1.00 20.03           C  
-ATOM  18643  CG  GLN L  54      85.669  18.307  52.033  1.00 23.08           C  
-ATOM  18644  CD  GLN L  54      85.775  19.427  51.014  1.00 27.74           C  
-ATOM  18645  OE1 GLN L  54      86.875  19.795  50.605  1.00 29.29           O  
-ATOM  18646  NE2 GLN L  54      84.634  19.955  50.585  1.00 29.31           N  
-ATOM  18647  N   GLN L  55      85.207  15.025  54.372  1.00 19.72           N  
-ATOM  18648  CA  GLN L  55      84.054  14.549  55.090  1.00 20.20           C  
-ATOM  18649  C   GLN L  55      83.169  15.730  55.476  1.00 20.25           C  
-ATOM  18650  O   GLN L  55      83.554  16.554  56.324  1.00 19.92           O  
-ATOM  18651  CB  GLN L  55      84.475  13.764  56.315  1.00 20.10           C  
-ATOM  18652  CG  GLN L  55      83.295  13.245  57.134  1.00 22.33           C  
-ATOM  18653  CD  GLN L  55      83.733  12.478  58.370  1.00 26.45           C  
-ATOM  18654  OE1 GLN L  55      84.889  12.075  58.476  1.00 28.40           O  
-ATOM  18655  NE2 GLN L  55      82.813  12.273  59.300  1.00 26.86           N  
-ATOM  18656  N   THR L  56      81.987  15.782  54.857  1.00 19.83           N  
-ATOM  18657  CA  THR L  56      81.056  16.884  55.047  1.00 20.13           C  
-ATOM  18658  C   THR L  56      79.679  16.430  55.531  1.00 19.85           C  
-ATOM  18659  O   THR L  56      79.030  15.558  54.949  1.00 19.39           O  
-ATOM  18660  CB  THR L  56      80.902  17.670  53.743  1.00 20.44           C  
-ATOM  18661  OG1 THR L  56      82.164  17.700  53.070  1.00 22.23           O  
-ATOM  18662  CG2 THR L  56      80.586  19.124  54.043  1.00 19.98           C  
-ATOM  18663  N   THR L  57      79.226  17.092  56.580  1.00 19.36           N  
-ATOM  18664  CA  THR L  57      78.074  16.643  57.305  1.00 19.67           C  
-ATOM  18665  C   THR L  57      77.181  17.833  57.615  1.00 18.95           C  
-ATOM  18666  O   THR L  57      77.687  18.909  57.949  1.00 18.30           O  
-ATOM  18667  CB  THR L  57      78.610  15.959  58.556  1.00 20.37           C  
-ATOM  18668  OG1 THR L  57      78.488  14.551  58.385  1.00 22.90           O  
-ATOM  18669  CG2 THR L  57      77.829  16.295  59.834  1.00 21.56           C  
-ATOM  18670  N   TRP L  58      75.866  17.645  57.469  1.00 17.68           N  
-ATOM  18671  CA  TRP L  58      74.893  18.670  57.843  1.00 17.69           C  
-ATOM  18672  C   TRP L  58      73.500  18.076  57.846  1.00 17.76           C  
-ATOM  18673  O   TRP L  58      73.256  16.974  57.338  1.00 17.86           O  
-ATOM  18674  CB  TRP L  58      74.915  19.863  56.861  1.00 16.73           C  
-ATOM  18675  CG  TRP L  58      74.367  19.492  55.497  1.00 16.85           C  
-ATOM  18676  CD1 TRP L  58      73.087  19.641  55.061  1.00 16.55           C  
-ATOM  18677  CD2 TRP L  58      75.097  18.901  54.409  1.00 15.17           C  
-ATOM  18678  NE1 TRP L  58      72.973  19.178  53.777  1.00 16.00           N  
-ATOM  18679  CE2 TRP L  58      74.195  18.720  53.352  1.00 14.20           C  
-ATOM  18680  CE3 TRP L  58      76.436  18.505  54.229  1.00 14.33           C  
-ATOM  18681  CZ2 TRP L  58      74.571  18.171  52.128  1.00 14.32           C  
-ATOM  18682  CZ3 TRP L  58      76.817  17.929  53.008  1.00 14.20           C  
-ATOM  18683  CH2 TRP L  58      75.884  17.766  51.976  1.00 15.46           C  
-ATOM  18684  N   SER L  59      72.568  18.855  58.357  1.00 18.06           N  
-ATOM  18685  CA  SER L  59      71.200  18.397  58.473  1.00 19.35           C  
-ATOM  18686  C   SER L  59      70.253  19.151  57.515  1.00 19.22           C  
-ATOM  18687  O   SER L  59      70.370  20.378  57.308  1.00 18.60           O  
-ATOM  18688  CB  SER L  59      70.770  18.508  59.912  1.00 18.97           C  
-ATOM  18689  OG  SER L  59      69.395  18.797  59.969  1.00 22.90           O  
-ATOM  18690  N   ASP L  60      69.353  18.403  56.887  1.00 19.46           N  
-ATOM  18691  CA  ASP L  60      68.332  18.997  56.026  1.00 19.72           C  
-ATOM  18692  C   ASP L  60      66.999  18.307  56.238  1.00 19.68           C  
-ATOM  18693  O   ASP L  60      66.750  17.211  55.708  1.00 18.96           O  
-ATOM  18694  CB  ASP L  60      68.745  18.948  54.550  1.00 19.87           C  
-ATOM  18695  CG  ASP L  60      67.762  19.679  53.630  1.00 22.12           C  
-ATOM  18696  OD1 ASP L  60      66.616  20.009  54.036  1.00 22.12           O  
-ATOM  18697  OD2 ASP L  60      68.042  19.984  52.459  1.00 24.37           O  
-ATOM  18698  N   ARG L  61      66.122  18.998  56.961  1.00 20.10           N  
-ATOM  18699  CA  ARG L  61      64.912  18.381  57.505  1.00 20.62           C  
-ATOM  18700  C   ARG L  61      63.850  18.186  56.434  1.00 20.64           C  
-ATOM  18701  O   ARG L  61      62.928  17.402  56.605  1.00 19.97           O  
-ATOM  18702  CB  ARG L  61      64.362  19.148  58.711  1.00 20.55           C  
-ATOM  18703  CG  ARG L  61      65.022  18.797  60.021  1.00 22.09           C  
-ATOM  18704  CD  ARG L  61      64.421  19.543  61.222  1.00 28.16           C  
-ATOM  18705  NE  ARG L  61      65.358  20.480  61.855  1.00 31.05           N  
-ATOM  18706  CZ  ARG L  61      65.028  21.393  62.781  1.00 32.99           C  
-ATOM  18707  NH1 ARG L  61      63.767  21.533  63.202  1.00 30.59           N  
-ATOM  18708  NH2 ARG L  61      65.977  22.178  63.285  1.00 34.45           N  
-ATOM  18709  N   THR L  62      64.002  18.881  55.319  1.00 20.62           N  
-ATOM  18710  CA  THR L  62      63.093  18.679  54.215  1.00 21.14           C  
-ATOM  18711  C   THR L  62      63.296  17.309  53.557  1.00 20.73           C  
-ATOM  18712  O   THR L  62      62.437  16.866  52.811  1.00 20.83           O  
-ATOM  18713  CB  THR L  62      63.207  19.804  53.164  1.00 21.42           C  
-ATOM  18714  OG1 THR L  62      64.523  19.789  52.591  1.00 23.15           O  
-ATOM  18715  CG2 THR L  62      63.133  21.182  53.806  1.00 22.15           C  
-ATOM  18716  N   LEU L  63      64.415  16.639  53.838  1.00 20.17           N  
-ATOM  18717  CA  LEU L  63      64.690  15.308  53.296  1.00 19.75           C  
-ATOM  18718  C   LEU L  63      64.075  14.172  54.131  1.00 19.68           C  
-ATOM  18719  O   LEU L  63      63.914  13.042  53.642  1.00 19.85           O  
-ATOM  18720  CB  LEU L  63      66.198  15.088  53.153  1.00 19.25           C  
-ATOM  18721  CG  LEU L  63      67.012  16.088  52.345  1.00 20.30           C  
-ATOM  18722  CD1 LEU L  63      68.454  15.691  52.416  1.00 19.01           C  
-ATOM  18723  CD2 LEU L  63      66.537  16.149  50.902  1.00 19.63           C  
-ATOM  18724  N   ALA L  64      63.736  14.476  55.380  1.00 19.20           N  
-ATOM  18725  CA  ALA L  64      63.325  13.469  56.354  1.00 18.99           C  
-ATOM  18726  C   ALA L  64      62.139  12.632  55.898  1.00 18.97           C  
-ATOM  18727  O   ALA L  64      61.270  13.107  55.179  1.00 18.96           O  
-ATOM  18728  CB  ALA L  64      63.004  14.130  57.689  1.00 18.84           C  
-ATOM  18729  N   TRP L  65      62.121  11.372  56.312  1.00 18.73           N  
-ATOM  18730  CA  TRP L  65      60.963  10.536  56.098  1.00 18.75           C  
-ATOM  18731  C   TRP L  65      60.732   9.602  57.305  1.00 19.38           C  
-ATOM  18732  O   TRP L  65      61.654   9.322  58.088  1.00 19.19           O  
-ATOM  18733  CB  TRP L  65      61.105   9.748  54.788  1.00 17.98           C  
-ATOM  18734  CG  TRP L  65      62.162   8.685  54.823  1.00 16.77           C  
-ATOM  18735  CD1 TRP L  65      61.995   7.360  55.176  1.00 15.30           C  
-ATOM  18736  CD2 TRP L  65      63.540   8.833  54.492  1.00 14.07           C  
-ATOM  18737  NE1 TRP L  65      63.187   6.691  55.061  1.00 13.55           N  
-ATOM  18738  CE2 TRP L  65      64.155   7.574  54.667  1.00 13.14           C  
-ATOM  18739  CE3 TRP L  65      64.331   9.905  54.065  1.00 13.41           C  
-ATOM  18740  CZ2 TRP L  65      65.520   7.367  54.435  1.00 12.19           C  
-ATOM  18741  CZ3 TRP L  65      65.705   9.687  53.839  1.00 12.75           C  
-ATOM  18742  CH2 TRP L  65      66.270   8.441  54.022  1.00 12.22           C  
-ATOM  18743  N   ASN L  66      59.498   9.135  57.456  1.00 19.90           N  
-ATOM  18744  CA  ASN L  66      59.187   8.167  58.487  1.00 20.79           C  
-ATOM  18745  C   ASN L  66      59.760   6.800  58.093  1.00 20.85           C  
-ATOM  18746  O   ASN L  66      59.282   6.153  57.160  1.00 20.97           O  
-ATOM  18747  CB  ASN L  66      57.667   8.100  58.703  1.00 21.30           C  
-ATOM  18748  CG  ASN L  66      57.272   7.303  59.944  1.00 22.80           C  
-ATOM  18749  OD1 ASN L  66      57.985   6.395  60.364  1.00 23.23           O  
-ATOM  18750  ND2 ASN L  66      56.118   7.641  60.530  1.00 25.09           N  
-ATOM  18751  N   SER L  67      60.793   6.372  58.798  1.00 20.73           N  
-ATOM  18752  CA  SER L  67      61.427   5.100  58.513  1.00 20.90           C  
-ATOM  18753  C   SER L  67      60.970   3.989  59.463  1.00 21.40           C  
-ATOM  18754  O   SER L  67      61.694   3.006  59.631  1.00 21.38           O  
-ATOM  18755  CB  SER L  67      62.933   5.259  58.612  1.00 20.88           C  
-ATOM  18756  OG  SER L  67      63.253   6.169  59.650  1.00 20.97           O  
-ATOM  18757  N   SER L  68      59.787   4.125  60.075  1.00 21.32           N  
-ATOM  18758  CA  SER L  68      59.332   3.102  61.027  1.00 22.60           C  
-ATOM  18759  C   SER L  68      59.320   1.699  60.389  1.00 22.73           C  
-ATOM  18760  O   SER L  68      59.804   0.729  60.990  1.00 22.77           O  
-ATOM  18761  CB  SER L  68      57.972   3.440  61.672  1.00 22.37           C  
-ATOM  18762  OG  SER L  68      57.119   4.147  60.788  1.00 23.26           O  
-ATOM  18763  N   HIS L  69      58.801   1.619  59.162  1.00 22.62           N  
-ATOM  18764  CA  HIS L  69      58.775   0.375  58.398  1.00 22.68           C  
-ATOM  18765  C   HIS L  69      59.526   0.517  57.061  1.00 22.53           C  
-ATOM  18766  O   HIS L  69      59.104  -0.030  56.029  1.00 22.66           O  
-ATOM  18767  CB  HIS L  69      57.324  -0.058  58.167  1.00 22.43           C  
-ATOM  18768  CG  HIS L  69      56.520  -0.181  59.425  1.00 22.82           C  
-ATOM  18769  ND1 HIS L  69      56.654  -1.244  60.293  1.00 23.12           N  
-ATOM  18770  CD2 HIS L  69      55.565   0.620  59.959  1.00 23.89           C  
-ATOM  18771  CE1 HIS L  69      55.812  -1.097  61.301  1.00 24.45           C  
-ATOM  18772  NE2 HIS L  69      55.137   0.025  61.123  1.00 23.90           N  
-ATOM  18773  N   SER L  70      60.642   1.243  57.077  1.00 22.31           N  
-ATOM  18774  CA  SER L  70      61.343   1.553  55.830  1.00 21.97           C  
-ATOM  18775  C   SER L  70      62.848   1.600  56.034  1.00 21.74           C  
-ATOM  18776  O   SER L  70      63.303   1.776  57.164  1.00 21.66           O  
-ATOM  18777  CB  SER L  70      60.855   2.887  55.264  1.00 21.94           C  
-ATOM  18778  OG  SER L  70      59.446   2.906  55.095  1.00 22.49           O  
-ATOM  18779  N   PRO L  71      63.626   1.427  54.959  1.00 21.60           N  
-ATOM  18780  CA  PRO L  71      65.073   1.691  55.014  1.00 21.41           C  
-ATOM  18781  C   PRO L  71      65.317   3.066  55.632  1.00 21.05           C  
-ATOM  18782  O   PRO L  71      64.529   3.988  55.380  1.00 20.49           O  
-ATOM  18783  CB  PRO L  71      65.484   1.707  53.541  1.00 21.31           C  
-ATOM  18784  CG  PRO L  71      64.502   0.823  52.862  1.00 21.44           C  
-ATOM  18785  CD  PRO L  71      63.204   0.959  53.622  1.00 21.56           C  
-ATOM  18786  N   ASP L  72      66.352   3.193  56.455  1.00 20.79           N  
-ATOM  18787  CA  ASP L  72      66.551   4.453  57.149  1.00 21.34           C  
-ATOM  18788  C   ASP L  72      67.688   5.293  56.581  1.00 20.17           C  
-ATOM  18789  O   ASP L  72      67.962   6.363  57.108  1.00 20.31           O  
-ATOM  18790  CB  ASP L  72      66.681   4.240  58.661  1.00 22.60           C  
-ATOM  18791  CG  ASP L  72      68.066   3.772  59.070  1.00 26.48           C  
-ATOM  18792  OD1 ASP L  72      68.615   2.860  58.401  1.00 30.14           O  
-ATOM  18793  OD2 ASP L  72      68.686   4.258  60.048  1.00 31.79           O  
-ATOM  18794  N   GLN L  73      68.315   4.813  55.500  1.00 18.78           N  
-ATOM  18795  CA  GLN L  73      69.388   5.509  54.784  1.00 17.81           C  
-ATOM  18796  C   GLN L  73      69.361   5.170  53.307  1.00 16.62           C  
-ATOM  18797  O   GLN L  73      69.088   4.030  52.932  1.00 15.60           O  
-ATOM  18798  CB  GLN L  73      70.760   5.102  55.278  1.00 17.69           C  
-ATOM  18799  CG  GLN L  73      71.173   5.702  56.558  1.00 20.57           C  
-ATOM  18800  CD  GLN L  73      72.646   5.437  56.888  1.00 22.68           C  
-ATOM  18801  OE1 GLN L  73      73.550   5.614  56.038  1.00 24.26           O  
-ATOM  18802  NE2 GLN L  73      72.893   5.064  58.123  1.00 20.16           N  
-ATOM  18803  N   VAL L  74      69.671   6.170  52.479  1.00 15.31           N  
-ATOM  18804  CA  VAL L  74      69.828   5.969  51.035  1.00 14.63           C  
-ATOM  18805  C   VAL L  74      71.013   6.772  50.506  1.00 14.98           C  
-ATOM  18806  O   VAL L  74      71.408   7.803  51.103  1.00 14.43           O  
-ATOM  18807  CB  VAL L  74      68.551   6.371  50.265  1.00 14.70           C  
-ATOM  18808  CG1 VAL L  74      67.413   5.372  50.552  1.00 13.57           C  
-ATOM  18809  CG2 VAL L  74      68.129   7.799  50.618  1.00 12.62           C  
-ATOM  18810  N   SER L  75      71.562   6.318  49.385  1.00 14.71           N  
-ATOM  18811  CA  SER L  75      72.513   7.118  48.624  1.00 15.22           C  
-ATOM  18812  C   SER L  75      71.742   7.958  47.599  1.00 15.88           C  
-ATOM  18813  O   SER L  75      70.859   7.433  46.920  1.00 16.18           O  
-ATOM  18814  CB  SER L  75      73.543   6.242  47.892  1.00 15.32           C  
-ATOM  18815  OG  SER L  75      74.205   5.316  48.737  1.00 14.39           O  
-ATOM  18816  N   VAL L  76      72.103   9.240  47.489  1.00 15.73           N  
-ATOM  18817  CA  VAL L  76      71.405  10.221  46.661  1.00 16.05           C  
-ATOM  18818  C   VAL L  76      72.439  11.024  45.857  1.00 16.23           C  
-ATOM  18819  O   VAL L  76      73.440  11.442  46.408  1.00 15.45           O  
-ATOM  18820  CB  VAL L  76      70.579  11.179  47.555  1.00 16.43           C  
-ATOM  18821  CG1 VAL L  76      69.716  12.141  46.730  1.00 14.65           C  
-ATOM  18822  CG2 VAL L  76      69.734  10.362  48.520  1.00 14.54           C  
-ATOM  18823  N   PRO L  77      72.228  11.165  44.550  1.00 17.08           N  
-ATOM  18824  CA  PRO L  77      73.096  12.044  43.734  1.00 17.39           C  
-ATOM  18825  C   PRO L  77      73.047  13.430  44.348  1.00 17.36           C  
-ATOM  18826  O   PRO L  77      71.960  13.857  44.689  1.00 16.96           O  
-ATOM  18827  CB  PRO L  77      72.442  12.036  42.335  1.00 17.26           C  
-ATOM  18828  CG  PRO L  77      71.401  10.931  42.349  1.00 17.98           C  
-ATOM  18829  CD  PRO L  77      71.142  10.540  43.766  1.00 16.90           C  
-ATOM  18830  N   ILE L  78      74.195  14.092  44.529  1.00 18.23           N  
-ATOM  18831  CA  ILE L  78      74.210  15.465  45.074  1.00 19.51           C  
-ATOM  18832  C   ILE L  78      73.477  16.502  44.230  1.00 19.95           C  
-ATOM  18833  O   ILE L  78      73.134  17.580  44.738  1.00 20.11           O  
-ATOM  18834  CB  ILE L  78      75.641  15.968  45.383  1.00 19.87           C  
-ATOM  18835  CG1 ILE L  78      76.453  16.110  44.095  1.00 20.39           C  
-ATOM  18836  CG2 ILE L  78      76.340  15.047  46.414  1.00 18.65           C  
-ATOM  18837  CD1 ILE L  78      77.721  16.998  44.277  1.00 23.52           C  
-ATOM  18838  N   SER L  79      73.239  16.183  42.960  1.00 20.07           N  
-ATOM  18839  CA  SER L  79      72.427  17.048  42.106  1.00 21.37           C  
-ATOM  18840  C   SER L  79      70.984  17.155  42.610  1.00 21.09           C  
-ATOM  18841  O   SER L  79      70.303  18.113  42.319  1.00 21.21           O  
-ATOM  18842  CB  SER L  79      72.460  16.581  40.658  1.00 21.88           C  
-ATOM  18843  OG  SER L  79      71.819  15.305  40.529  1.00 24.48           O  
-ATOM  18844  N   SER L  80      70.545  16.185  43.403  1.00 20.91           N  
-ATOM  18845  CA  SER L  80      69.195  16.193  43.951  1.00 21.07           C  
-ATOM  18846  C   SER L  80      69.114  16.813  45.352  1.00 20.50           C  
-ATOM  18847  O   SER L  80      68.040  16.852  45.944  1.00 20.94           O  
-ATOM  18848  CB  SER L  80      68.645  14.759  43.997  1.00 20.96           C  
-ATOM  18849  OG  SER L  80      68.434  14.255  42.697  1.00 23.86           O  
-ATOM  18850  N   LEU L  81      70.242  17.265  45.878  1.00 19.84           N  
-ATOM  18851  CA  LEU L  81      70.341  17.767  47.251  1.00 19.72           C  
-ATOM  18852  C   LEU L  81      70.904  19.171  47.247  1.00 18.72           C  
-ATOM  18853  O   LEU L  81      71.701  19.480  46.401  1.00 17.78           O  
-ATOM  18854  CB  LEU L  81      71.328  16.917  48.067  1.00 20.16           C  
-ATOM  18855  CG  LEU L  81      71.021  15.445  48.310  1.00 21.76           C  
-ATOM  18856  CD1 LEU L  81      72.008  14.846  49.255  1.00 22.60           C  
-ATOM  18857  CD2 LEU L  81      69.631  15.294  48.854  1.00 24.31           C  
-ATOM  18858  N   TRP L  82      70.527  19.991  48.228  1.00 17.93           N  
-ATOM  18859  CA  TRP L  82      71.345  21.159  48.557  1.00 17.56           C  
-ATOM  18860  C   TRP L  82      72.632  20.679  49.222  1.00 17.64           C  
-ATOM  18861  O   TRP L  82      72.612  19.787  50.058  1.00 17.41           O  
-ATOM  18862  CB  TRP L  82      70.617  22.118  49.497  1.00 16.84           C  
-ATOM  18863  CG  TRP L  82      71.467  23.297  49.923  1.00 17.43           C  
-ATOM  18864  CD1 TRP L  82      71.594  24.498  49.276  1.00 16.01           C  
-ATOM  18865  CD2 TRP L  82      72.334  23.377  51.085  1.00 16.09           C  
-ATOM  18866  NE1 TRP L  82      72.461  25.316  49.962  1.00 16.30           N  
-ATOM  18867  CE2 TRP L  82      72.920  24.670  51.078  1.00 16.98           C  
-ATOM  18868  CE3 TRP L  82      72.642  22.504  52.137  1.00 15.03           C  
-ATOM  18869  CZ2 TRP L  82      73.809  25.106  52.079  1.00 15.49           C  
-ATOM  18870  CZ3 TRP L  82      73.517  22.923  53.131  1.00 15.41           C  
-ATOM  18871  CH2 TRP L  82      74.097  24.215  53.101  1.00 16.10           C  
-ATOM  18872  N   VAL L  83      73.737  21.298  48.838  1.00 18.07           N  
-ATOM  18873  CA  VAL L  83      75.079  20.944  49.320  1.00 18.48           C  
-ATOM  18874  C   VAL L  83      75.762  22.283  49.676  1.00 18.63           C  
-ATOM  18875  O   VAL L  83      75.560  23.279  48.979  1.00 18.62           O  
-ATOM  18876  CB  VAL L  83      75.847  20.158  48.232  1.00 19.18           C  
-ATOM  18877  CG1 VAL L  83      77.355  20.156  48.455  1.00 20.70           C  
-ATOM  18878  CG2 VAL L  83      75.312  18.687  48.139  1.00 19.30           C  
-ATOM  18879  N   PRO L  84      76.492  22.342  50.785  1.00 18.78           N  
-ATOM  18880  CA  PRO L  84      77.135  23.609  51.182  1.00 18.77           C  
-ATOM  18881  C   PRO L  84      78.122  24.084  50.112  1.00 18.07           C  
-ATOM  18882  O   PRO L  84      78.864  23.286  49.542  1.00 17.88           O  
-ATOM  18883  CB  PRO L  84      77.869  23.277  52.499  1.00 18.37           C  
-ATOM  18884  CG  PRO L  84      77.537  21.867  52.835  1.00 19.15           C  
-ATOM  18885  CD  PRO L  84      76.701  21.256  51.765  1.00 18.74           C  
-ATOM  18886  N   ASP L  85      78.125  25.387  49.861  1.00 17.43           N  
-ATOM  18887  CA  ASP L  85      78.990  25.955  48.839  1.00 17.54           C  
-ATOM  18888  C   ASP L  85      80.422  26.183  49.353  1.00 17.35           C  
-ATOM  18889  O   ASP L  85      80.902  27.322  49.347  1.00 17.05           O  
-ATOM  18890  CB  ASP L  85      78.364  27.251  48.314  1.00 17.22           C  
-ATOM  18891  CG  ASP L  85      78.312  28.387  49.381  1.00 19.43           C  
-ATOM  18892  OD1 ASP L  85      78.146  28.102  50.597  1.00 18.56           O  
-ATOM  18893  OD2 ASP L  85      78.430  29.610  49.097  1.00 19.68           O  
-ATOM  18894  N   LEU L  86      81.073  25.111  49.815  1.00 16.74           N  
-ATOM  18895  CA  LEU L  86      82.410  25.192  50.413  1.00 17.16           C  
-ATOM  18896  C   LEU L  86      83.482  25.383  49.370  1.00 17.48           C  
-ATOM  18897  O   LEU L  86      83.382  24.831  48.244  1.00 17.82           O  
-ATOM  18898  CB  LEU L  86      82.730  23.949  51.264  1.00 17.03           C  
-ATOM  18899  CG  LEU L  86      81.788  23.699  52.440  1.00 17.35           C  
-ATOM  18900  CD1 LEU L  86      82.160  22.411  53.150  1.00 17.40           C  
-ATOM  18901  CD2 LEU L  86      81.807  24.897  53.396  1.00 15.55           C  
-ATOM  18902  N   ALA L  87      84.483  26.179  49.728  1.00 16.97           N  
-ATOM  18903  CA  ALA L  87      85.653  26.375  48.882  1.00 17.21           C  
-ATOM  18904  C   ALA L  87      86.912  26.463  49.713  1.00 17.48           C  
-ATOM  18905  O   ALA L  87      86.879  26.957  50.838  1.00 17.18           O  
-ATOM  18906  CB  ALA L  87      85.502  27.623  48.025  1.00 17.16           C  
-ATOM  18907  N   ALA L  88      88.023  25.964  49.166  1.00 17.54           N  
-ATOM  18908  CA  ALA L  88      89.313  26.173  49.807  1.00 17.52           C  
-ATOM  18909  C   ALA L  88      89.860  27.492  49.289  1.00 17.47           C  
-ATOM  18910  O   ALA L  88      90.090  27.646  48.108  1.00 17.90           O  
-ATOM  18911  CB  ALA L  88      90.273  25.012  49.519  1.00 17.74           C  
-ATOM  18912  N   TYR L  89      90.045  28.452  50.184  1.00 17.30           N  
-ATOM  18913  CA  TYR L  89      90.490  29.809  49.854  1.00 17.28           C  
-ATOM  18914  C   TYR L  89      91.896  29.885  49.257  1.00 17.11           C  
-ATOM  18915  O   TYR L  89      92.197  30.852  48.542  1.00 16.99           O  
-ATOM  18916  CB  TYR L  89      90.490  30.661  51.132  1.00 17.18           C  
-ATOM  18917  CG  TYR L  89      89.142  31.219  51.504  1.00 18.27           C  
-ATOM  18918  CD1 TYR L  89      88.086  30.366  51.827  1.00 18.93           C  
-ATOM  18919  CD2 TYR L  89      88.908  32.600  51.508  1.00 18.64           C  
-ATOM  18920  CE1 TYR L  89      86.832  30.874  52.168  1.00 21.61           C  
-ATOM  18921  CE2 TYR L  89      87.661  33.117  51.865  1.00 19.64           C  
-ATOM  18922  CZ  TYR L  89      86.628  32.247  52.195  1.00 22.44           C  
-ATOM  18923  OH  TYR L  89      85.394  32.742  52.549  1.00 24.37           O  
-ATOM  18924  N   ASN L  90      92.764  28.920  49.603  1.00 16.02           N  
-ATOM  18925  CA  ASN L  90      94.147  28.927  49.087  1.00 15.79           C  
-ATOM  18926  C   ASN L  90      94.385  27.854  48.013  1.00 15.49           C  
-ATOM  18927  O   ASN L  90      95.527  27.500  47.691  1.00 15.33           O  
-ATOM  18928  CB  ASN L  90      95.183  28.872  50.216  1.00 15.17           C  
-ATOM  18929  CG  ASN L  90      95.059  27.612  51.088  1.00 16.50           C  
-ATOM  18930  OD1 ASN L  90      93.959  27.146  51.391  1.00 16.66           O  
-ATOM  18931  ND2 ASN L  90      96.191  27.073  51.501  1.00 14.80           N  
-ATOM  18932  N   ALA L  91      93.290  27.352  47.455  1.00 15.27           N  
-ATOM  18933  CA  ALA L  91      93.373  26.432  46.337  1.00 15.63           C  
-ATOM  18934  C   ALA L  91      93.807  27.174  45.092  1.00 15.34           C  
-ATOM  18935  O   ALA L  91      93.399  28.323  44.857  1.00 15.13           O  
-ATOM  18936  CB  ALA L  91      92.028  25.716  46.102  1.00 15.38           C  
-ATOM  18937  N   ILE L  92      94.628  26.514  44.290  1.00 15.59           N  
-ATOM  18938  CA  ILE L  92      95.129  27.111  43.057  1.00 16.24           C  
-ATOM  18939  C   ILE L  92      94.749  26.242  41.865  1.00 17.07           C  
-ATOM  18940  O   ILE L  92      95.196  26.458  40.754  1.00 17.18           O  
-ATOM  18941  CB  ILE L  92      96.654  27.388  43.150  1.00 16.78           C  
-ATOM  18942  CG1 ILE L  92      97.452  26.114  43.482  1.00 16.27           C  
-ATOM  18943  CG2 ILE L  92      96.929  28.544  44.180  1.00 15.57           C  
-ATOM  18944  CD1 ILE L  92      98.945  26.239  43.260  1.00 15.88           C  
-ATOM  18945  N   SER L  93      93.904  25.249  42.116  1.00 17.46           N  
-ATOM  18946  CA  SER L  93      93.312  24.449  41.060  1.00 18.80           C  
-ATOM  18947  C   SER L  93      91.886  24.114  41.480  1.00 19.36           C  
-ATOM  18948  O   SER L  93      91.529  24.212  42.658  1.00 19.32           O  
-ATOM  18949  CB  SER L  93      94.128  23.161  40.778  1.00 18.66           C  
-ATOM  18950  OG  SER L  93      93.903  22.188  41.776  1.00 18.64           O  
-ATOM  18951  N   LYS L  94      91.061  23.751  40.513  1.00 20.77           N  
-ATOM  18952  CA  LYS L  94      89.717  23.245  40.772  1.00 21.92           C  
-ATOM  18953  C   LYS L  94      89.747  21.929  41.540  1.00 22.48           C  
-ATOM  18954  O   LYS L  94      90.660  21.103  41.326  1.00 22.76           O  
-ATOM  18955  CB  LYS L  94      88.987  23.045  39.443  1.00 22.70           C  
-ATOM  18956  CG  LYS L  94      87.829  23.991  39.256  1.00 24.90           C  
-ATOM  18957  CD  LYS L  94      87.229  23.890  37.852  1.00 29.60           C  
-ATOM  18958  CE  LYS L  94      85.692  24.004  37.885  1.00 31.73           C  
-ATOM  18959  NZ  LYS L  94      84.986  22.866  38.603  1.00 32.08           N  
-ATOM  18960  N   PRO L  95      88.777  21.713  42.439  1.00 22.53           N  
-ATOM  18961  CA  PRO L  95      88.703  20.434  43.166  1.00 22.74           C  
-ATOM  18962  C   PRO L  95      88.396  19.312  42.169  1.00 22.77           C  
-ATOM  18963  O   PRO L  95      87.316  19.309  41.593  1.00 23.49           O  
-ATOM  18964  CB  PRO L  95      87.539  20.619  44.143  1.00 22.57           C  
-ATOM  18965  CG  PRO L  95      86.807  21.878  43.729  1.00 23.54           C  
-ATOM  18966  CD  PRO L  95      87.688  22.636  42.790  1.00 22.36           C  
-ATOM  18967  N   GLU L  96      89.348  18.424  41.922  1.00 22.66           N  
-ATOM  18968  CA  GLU L  96      89.101  17.241  41.088  1.00 23.05           C  
-ATOM  18969  C   GLU L  96      88.461  16.144  41.965  1.00 22.12           C  
-ATOM  18970  O   GLU L  96      89.114  15.602  42.861  1.00 21.79           O  
-ATOM  18971  CB  GLU L  96      90.428  16.748  40.515  1.00 23.67           C  
-ATOM  18972  CG  GLU L  96      90.363  15.720  39.379  1.00 28.45           C  
-ATOM  18973  CD  GLU L  96      91.764  15.340  38.873  1.00 35.13           C  
-ATOM  18974  OE1 GLU L  96      92.684  16.213  38.962  1.00 38.14           O  
-ATOM  18975  OE2 GLU L  96      91.965  14.182  38.381  1.00 38.18           O  
-ATOM  18976  N   VAL L  97      87.177  15.862  41.746  1.00 21.18           N  
-ATOM  18977  CA  VAL L  97      86.446  14.867  42.536  1.00 20.05           C  
-ATOM  18978  C   VAL L  97      86.687  13.489  41.922  1.00 19.84           C  
-ATOM  18979  O   VAL L  97      86.337  13.244  40.773  1.00 18.86           O  
-ATOM  18980  CB  VAL L  97      84.922  15.133  42.546  1.00 20.56           C  
-ATOM  18981  CG1 VAL L  97      84.219  14.075  43.370  1.00 19.27           C  
-ATOM  18982  CG2 VAL L  97      84.590  16.553  43.104  1.00 19.33           C  
-ATOM  18983  N   LEU L  98      87.276  12.590  42.708  1.00 19.27           N  
-ATOM  18984  CA  LEU L  98      87.702  11.283  42.186  1.00 19.31           C  
-ATOM  18985  C   LEU L  98      86.645  10.201  42.349  1.00 19.00           C  
-ATOM  18986  O   LEU L  98      86.734   9.134  41.730  1.00 19.29           O  
-ATOM  18987  CB  LEU L  98      89.042  10.839  42.825  1.00 19.37           C  
-ATOM  18988  CG  LEU L  98      90.175  11.894  42.852  1.00 20.24           C  
-ATOM  18989  CD1 LEU L  98      91.330  11.379  43.671  1.00 19.40           C  
-ATOM  18990  CD2 LEU L  98      90.632  12.300  41.459  1.00 20.22           C  
-ATOM  18991  N   THR L  99      85.627  10.489  43.147  1.00 18.46           N  
-ATOM  18992  CA  THR L  99      84.633   9.472  43.479  1.00 18.31           C  
-ATOM  18993  C   THR L  99      83.235   9.755  42.931  1.00 18.52           C  
-ATOM  18994  O   THR L  99      82.944  10.886  42.571  1.00 18.83           O  
-ATOM  18995  CB  THR L  99      84.583   9.342  44.991  1.00 18.25           C  
-ATOM  18996  OG1 THR L  99      84.704  10.641  45.573  1.00 16.60           O  
-ATOM  18997  CG2 THR L  99      85.838   8.552  45.500  1.00 16.71           C  
-ATOM  18998  N   PRO L 100      82.367   8.737  42.875  1.00 19.09           N  
-ATOM  18999  CA  PRO L 100      80.944   8.947  42.553  1.00 18.59           C  
-ATOM  19000  C   PRO L 100      80.315  10.020  43.438  1.00 19.16           C  
-ATOM  19001  O   PRO L 100      80.498  10.000  44.652  1.00 18.57           O  
-ATOM  19002  CB  PRO L 100      80.310   7.582  42.869  1.00 18.62           C  
-ATOM  19003  CG  PRO L 100      81.419   6.583  42.651  1.00 19.10           C  
-ATOM  19004  CD  PRO L 100      82.674   7.298  43.079  1.00 18.35           C  
-ATOM  19005  N   GLN L 101      79.551  10.928  42.831  1.00 19.06           N  
-ATOM  19006  CA  GLN L 101      79.065  12.097  43.549  1.00 19.86           C  
-ATOM  19007  C   GLN L 101      77.737  11.836  44.226  1.00 19.25           C  
-ATOM  19008  O   GLN L 101      76.717  12.390  43.865  1.00 19.45           O  
-ATOM  19009  CB  GLN L 101      79.060  13.322  42.619  1.00 20.04           C  
-ATOM  19010  CG  GLN L 101      80.497  13.829  42.324  1.00 23.63           C  
-ATOM  19011  CD  GLN L 101      80.539  14.929  41.255  1.00 28.93           C  
-ATOM  19012  OE1 GLN L 101      79.866  15.956  41.377  1.00 31.42           O  
-ATOM  19013  NE2 GLN L 101      81.353  14.721  40.229  1.00 29.23           N  
-ATOM  19014  N   LEU L 102      77.780  10.958  45.223  1.00 18.92           N  
-ATOM  19015  CA  LEU L 102      76.593  10.501  45.939  1.00 18.17           C  
-ATOM  19016  C   LEU L 102      76.747  10.818  47.404  1.00 17.44           C  
-ATOM  19017  O   LEU L 102      77.811  10.639  47.978  1.00 16.79           O  
-ATOM  19018  CB  LEU L 102      76.379   8.995  45.763  1.00 18.06           C  
-ATOM  19019  CG  LEU L 102      76.266   8.365  44.366  1.00 20.60           C  
-ATOM  19020  CD1 LEU L 102      76.171   6.851  44.432  1.00 21.38           C  
-ATOM  19021  CD2 LEU L 102      75.062   8.853  43.622  1.00 20.45           C  
-ATOM  19022  N   ALA L 103      75.673  11.287  48.009  1.00 16.70           N  
-ATOM  19023  CA  ALA L 103      75.687  11.571  49.426  1.00 16.73           C  
-ATOM  19024  C   ALA L 103      74.852  10.486  50.075  1.00 17.01           C  
-ATOM  19025  O   ALA L 103      73.927   9.945  49.452  1.00 17.55           O  
-ATOM  19026  CB  ALA L 103      75.066  12.949  49.691  1.00 16.03           C  
-ATOM  19027  N   ARG L 104      75.150  10.189  51.330  1.00 16.74           N  
-ATOM  19028  CA  ARG L 104      74.340   9.302  52.132  1.00 16.25           C  
-ATOM  19029  C   ARG L 104      73.355  10.136  52.974  1.00 16.16           C  
-ATOM  19030  O   ARG L 104      73.769  11.050  53.696  1.00 16.11           O  
-ATOM  19031  CB  ARG L 104      75.292   8.521  53.025  1.00 16.75           C  
-ATOM  19032  CG  ARG L 104      74.775   7.228  53.524  1.00 17.96           C  
-ATOM  19033  CD  ARG L 104      74.593   6.139  52.484  1.00 17.83           C  
-ATOM  19034  NE  ARG L 104      73.952   5.032  53.181  1.00 16.69           N  
-ATOM  19035  CZ  ARG L 104      73.405   3.967  52.621  1.00 17.53           C  
-ATOM  19036  NH1 ARG L 104      73.412   3.807  51.295  1.00 13.85           N  
-ATOM  19037  NH2 ARG L 104      72.856   3.044  53.418  1.00 14.76           N  
-ATOM  19038  N   VAL L 105      72.057   9.847  52.855  1.00 15.60           N  
-ATOM  19039  CA  VAL L 105      71.010  10.578  53.575  1.00 14.86           C  
-ATOM  19040  C   VAL L 105      70.294   9.634  54.560  1.00 15.25           C  
-ATOM  19041  O   VAL L 105      69.829   8.560  54.174  1.00 14.69           O  
-ATOM  19042  CB  VAL L 105      69.990  11.208  52.604  1.00 15.19           C  
-ATOM  19043  CG1 VAL L 105      68.896  11.958  53.349  1.00 14.63           C  
-ATOM  19044  CG2 VAL L 105      70.692  12.152  51.596  1.00 15.07           C  
-ATOM  19045  N   VAL L 106      70.226  10.049  55.832  1.00 14.91           N  
-ATOM  19046  CA  VAL L 106      69.544   9.316  56.890  1.00 14.79           C  
-ATOM  19047  C   VAL L 106      68.122   9.863  56.996  1.00 15.09           C  
-ATOM  19048  O   VAL L 106      67.874  11.048  56.665  1.00 14.92           O  
-ATOM  19049  CB  VAL L 106      70.302   9.439  58.250  1.00 15.02           C  
-ATOM  19050  CG1 VAL L 106      69.723   8.505  59.313  1.00 14.19           C  
-ATOM  19051  CG2 VAL L 106      71.791   9.132  58.078  1.00 15.62           C  
-ATOM  19052  N   SER L 107      67.189   9.022  57.457  1.00 15.07           N  
-ATOM  19053  CA  SER L 107      65.765   9.370  57.489  1.00 15.76           C  
-ATOM  19054  C   SER L 107      65.406  10.575  58.357  1.00 16.13           C  
-ATOM  19055  O   SER L 107      64.328  11.111  58.218  1.00 15.73           O  
-ATOM  19056  CB  SER L 107      64.907   8.169  57.906  1.00 15.51           C  
-ATOM  19057  OG  SER L 107      65.114   7.825  59.267  1.00 15.48           O  
-ATOM  19058  N   ASP L 108      66.292  10.980  59.257  1.00 16.96           N  
-ATOM  19059  CA  ASP L 108      66.058  12.173  60.073  1.00 18.14           C  
-ATOM  19060  C   ASP L 108      66.553  13.465  59.390  1.00 18.13           C  
-ATOM  19061  O   ASP L 108      66.387  14.565  59.929  1.00 18.12           O  
-ATOM  19062  CB  ASP L 108      66.645  12.017  61.491  1.00 18.52           C  
-ATOM  19063  CG  ASP L 108      68.167  11.824  61.500  1.00 21.63           C  
-ATOM  19064  OD1 ASP L 108      68.820  11.869  60.429  1.00 23.46           O  
-ATOM  19065  OD2 ASP L 108      68.804  11.602  62.558  1.00 24.85           O  
-ATOM  19066  N   GLY L 109      67.146  13.324  58.205  1.00 17.98           N  
-ATOM  19067  CA  GLY L 109      67.620  14.463  57.462  1.00 17.86           C  
-ATOM  19068  C   GLY L 109      69.124  14.665  57.525  1.00 18.22           C  
-ATOM  19069  O   GLY L 109      69.643  15.582  56.866  1.00 18.05           O  
-ATOM  19070  N   GLU L 110      69.838  13.814  58.264  1.00 17.87           N  
-ATOM  19071  CA  GLU L 110      71.291  13.932  58.289  1.00 18.75           C  
-ATOM  19072  C   GLU L 110      71.894  13.523  56.950  1.00 18.13           C  
-ATOM  19073  O   GLU L 110      71.522  12.489  56.359  1.00 17.65           O  
-ATOM  19074  CB  GLU L 110      71.930  13.115  59.415  1.00 19.30           C  
-ATOM  19075  CG  GLU L 110      71.650  13.585  60.846  1.00 24.55           C  
-ATOM  19076  CD  GLU L 110      72.032  15.038  61.117  1.00 31.03           C  
-ATOM  19077  OE1 GLU L 110      73.216  15.415  60.941  1.00 33.50           O  
-ATOM  19078  OE2 GLU L 110      71.143  15.805  61.533  1.00 34.21           O  
-ATOM  19079  N   VAL L 111      72.823  14.335  56.472  1.00 17.07           N  
-ATOM  19080  CA  VAL L 111      73.507  14.054  55.223  1.00 16.38           C  
-ATOM  19081  C   VAL L 111      75.005  13.920  55.463  1.00 16.58           C  
-ATOM  19082  O   VAL L 111      75.581  14.698  56.225  1.00 15.97           O  
-ATOM  19083  CB  VAL L 111      73.276  15.202  54.188  1.00 16.47           C  
-ATOM  19084  CG1 VAL L 111      73.817  14.816  52.819  1.00 15.72           C  
-ATOM  19085  CG2 VAL L 111      71.822  15.604  54.110  1.00 14.49           C  
-ATOM  19086  N   LEU L 112      75.624  12.949  54.793  1.00 16.52           N  
-ATOM  19087  CA  LEU L 112      77.073  12.785  54.752  1.00 16.81           C  
-ATOM  19088  C   LEU L 112      77.507  12.766  53.304  1.00 17.10           C  
-ATOM  19089  O   LEU L 112      77.070  11.920  52.533  1.00 16.01           O  
-ATOM  19090  CB  LEU L 112      77.524  11.487  55.428  1.00 17.18           C  
-ATOM  19091  CG  LEU L 112      78.991  11.029  55.229  1.00 19.00           C  
-ATOM  19092  CD1 LEU L 112      79.967  11.991  55.880  1.00 16.93           C  
-ATOM  19093  CD2 LEU L 112      79.215   9.624  55.828  1.00 20.26           C  
-ATOM  19094  N   TYR L 113      78.334  13.739  52.928  1.00 17.04           N  
-ATOM  19095  CA  TYR L 113      78.917  13.756  51.619  1.00 17.65           C  
-ATOM  19096  C   TYR L 113      80.416  13.719  51.851  1.00 17.76           C  
-ATOM  19097  O   TYR L 113      80.941  14.529  52.611  1.00 18.02           O  
-ATOM  19098  CB  TYR L 113      78.470  14.988  50.826  1.00 18.01           C  
-ATOM  19099  CG  TYR L 113      79.051  15.068  49.439  1.00 19.00           C  
-ATOM  19100  CD1 TYR L 113      79.076  13.944  48.614  1.00 20.27           C  
-ATOM  19101  CD2 TYR L 113      79.569  16.257  48.948  1.00 20.13           C  
-ATOM  19102  CE1 TYR L 113      79.633  14.005  47.327  1.00 22.22           C  
-ATOM  19103  CE2 TYR L 113      80.129  16.328  47.688  1.00 19.83           C  
-ATOM  19104  CZ  TYR L 113      80.143  15.206  46.864  1.00 22.71           C  
-ATOM  19105  OH  TYR L 113      80.694  15.265  45.577  1.00 26.78           O  
-ATOM  19106  N   MET L 114      81.099  12.740  51.262  1.00 17.39           N  
-ATOM  19107  CA  MET L 114      82.527  12.546  51.502  1.00 17.56           C  
-ATOM  19108  C   MET L 114      83.266  12.173  50.215  1.00 17.33           C  
-ATOM  19109  O   MET L 114      83.688  11.014  50.024  1.00 16.69           O  
-ATOM  19110  CB  MET L 114      82.745  11.464  52.552  1.00 18.38           C  
-ATOM  19111  CG  MET L 114      84.169  11.382  53.077  1.00 21.10           C  
-ATOM  19112  SD  MET L 114      84.409  10.325  54.528  1.00 27.74           S  
-ATOM  19113  CE  MET L 114      82.776   9.920  54.975  1.00 26.98           C  
-ATOM  19114  N   PRO L 115      83.423  13.146  49.334  1.00 16.72           N  
-ATOM  19115  CA  PRO L 115      84.148  12.897  48.088  1.00 16.90           C  
-ATOM  19116  C   PRO L 115      85.642  12.726  48.369  1.00 17.05           C  
-ATOM  19117  O   PRO L 115      86.141  13.304  49.335  1.00 16.86           O  
-ATOM  19118  CB  PRO L 115      83.899  14.192  47.276  1.00 16.89           C  
-ATOM  19119  CG  PRO L 115      83.612  15.276  48.334  1.00 16.54           C  
-ATOM  19120  CD  PRO L 115      82.915  14.535  49.439  1.00 16.89           C  
-ATOM  19121  N   SER L 116      86.327  11.915  47.573  1.00 16.67           N  
-ATOM  19122  CA  SER L 116      87.776  12.025  47.467  1.00 17.21           C  
-ATOM  19123  C   SER L 116      88.157  13.123  46.467  1.00 17.12           C  
-ATOM  19124  O   SER L 116      87.708  13.108  45.317  1.00 17.11           O  
-ATOM  19125  CB  SER L 116      88.365  10.702  47.003  1.00 17.11           C  
-ATOM  19126  OG  SER L 116      89.778  10.705  47.140  1.00 18.84           O  
-ATOM  19127  N   ILE L 117      89.000  14.051  46.903  1.00 17.60           N  
-ATOM  19128  CA  ILE L 117      89.331  15.229  46.100  1.00 17.74           C  
-ATOM  19129  C   ILE L 117      90.828  15.309  45.881  1.00 17.88           C  
-ATOM  19130  O   ILE L 117      91.599  15.061  46.811  1.00 17.53           O  
-ATOM  19131  CB  ILE L 117      88.784  16.495  46.809  1.00 18.29           C  
-ATOM  19132  CG1 ILE L 117      87.236  16.483  46.716  1.00 19.79           C  
-ATOM  19133  CG2 ILE L 117      89.400  17.792  46.216  1.00 17.84           C  
-ATOM  19134  CD1 ILE L 117      86.556  17.664  47.283  1.00 21.22           C  
-ATOM  19135  N   ARG L 118      91.234  15.615  44.647  1.00 17.73           N  
-ATOM  19136  CA  ARG L 118      92.607  15.983  44.353  1.00 18.01           C  
-ATOM  19137  C   ARG L 118      92.654  17.459  44.013  1.00 17.70           C  
-ATOM  19138  O   ARG L 118      91.933  17.913  43.123  1.00 17.43           O  
-ATOM  19139  CB  ARG L 118      93.183  15.171  43.193  1.00 18.23           C  
-ATOM  19140  CG  ARG L 118      94.679  15.452  43.000  1.00 19.87           C  
-ATOM  19141  CD  ARG L 118      95.284  14.825  41.739  1.00 23.24           C  
-ATOM  19142  NE  ARG L 118      96.705  15.143  41.631  1.00 26.58           N  
-ATOM  19143  CZ  ARG L 118      97.633  14.364  41.060  1.00 28.03           C  
-ATOM  19144  NH1 ARG L 118      97.309  13.187  40.527  1.00 27.78           N  
-ATOM  19145  NH2 ARG L 118      98.896  14.768  41.019  1.00 27.47           N  
-ATOM  19146  N   GLN L 119      93.505  18.201  44.716  1.00 17.31           N  
-ATOM  19147  CA  GLN L 119      93.544  19.655  44.557  1.00 17.16           C  
-ATOM  19148  C   GLN L 119      94.934  20.190  44.911  1.00 16.94           C  
-ATOM  19149  O   GLN L 119      95.601  19.611  45.778  1.00 16.48           O  
-ATOM  19150  CB  GLN L 119      92.480  20.290  45.454  1.00 17.00           C  
-ATOM  19151  CG  GLN L 119      92.214  21.772  45.155  1.00 17.69           C  
-ATOM  19152  CD  GLN L 119      90.892  22.232  45.731  1.00 18.24           C  
-ATOM  19153  OE1 GLN L 119      90.464  21.742  46.772  1.00 19.73           O  
-ATOM  19154  NE2 GLN L 119      90.225  23.149  45.033  1.00 18.30           N  
-ATOM  19155  N   ARG L 120      95.362  21.271  44.238  1.00 15.92           N  
-ATOM  19156  CA  ARG L 120      96.611  21.932  44.583  1.00 16.21           C  
-ATOM  19157  C   ARG L 120      96.381  23.201  45.411  1.00 16.01           C  
-ATOM  19158  O   ARG L 120      95.385  23.917  45.218  1.00 16.76           O  
-ATOM  19159  CB  ARG L 120      97.429  22.267  43.329  1.00 17.47           C  
-ATOM  19160  CG  ARG L 120      98.092  21.068  42.652  1.00 18.52           C  
-ATOM  19161  CD  ARG L 120      98.507  21.330  41.209  1.00 25.95           C  
-ATOM  19162  NE  ARG L 120      97.519  20.771  40.289  1.00 29.24           N  
-ATOM  19163  CZ  ARG L 120      97.008  21.401  39.235  1.00 32.05           C  
-ATOM  19164  NH1 ARG L 120      97.400  22.638  38.929  1.00 31.21           N  
-ATOM  19165  NH2 ARG L 120      96.099  20.780  38.475  1.00 33.83           N  
-ATOM  19166  N   PHE L 121      97.326  23.492  46.302  1.00 15.88           N  
-ATOM  19167  CA  PHE L 121      97.243  24.619  47.245  1.00 15.27           C  
-ATOM  19168  C   PHE L 121      98.513  25.438  47.297  1.00 16.18           C  
-ATOM  19169  O   PHE L 121      99.613  24.963  47.006  1.00 15.42           O  
-ATOM  19170  CB  PHE L 121      96.920  24.177  48.670  1.00 15.08           C  
-ATOM  19171  CG  PHE L 121      95.739  23.290  48.768  1.00 12.64           C  
-ATOM  19172  CD1 PHE L 121      94.470  23.821  48.959  1.00 15.98           C  
-ATOM  19173  CD2 PHE L 121      95.882  21.910  48.638  1.00 13.50           C  
-ATOM  19174  CE1 PHE L 121      93.355  22.963  49.043  1.00 14.84           C  
-ATOM  19175  CE2 PHE L 121      94.807  21.073  48.735  1.00 13.34           C  
-ATOM  19176  CZ  PHE L 121      93.534  21.594  48.919  1.00 13.09           C  
-ATOM  19177  N   SER L 122      98.321  26.702  47.635  1.00 16.19           N  
-ATOM  19178  CA  SER L 122      99.413  27.587  47.932  1.00 16.73           C  
-ATOM  19179  C   SER L 122      99.500  27.588  49.452  1.00 17.32           C  
-ATOM  19180  O   SER L 122      98.512  27.878  50.131  1.00 16.68           O  
-ATOM  19181  CB  SER L 122      99.072  28.970  47.401  1.00 16.32           C  
-ATOM  19182  OG  SER L 122      99.947  29.952  47.920  1.00 16.95           O  
-ATOM  19183  N   CYS L 123     100.669  27.252  49.986  1.00 18.11           N  
-ATOM  19184  CA  CYS L 123     100.867  27.193  51.430  1.00 20.03           C  
-ATOM  19185  C   CYS L 123     102.342  27.027  51.765  1.00 19.78           C  
-ATOM  19186  O   CYS L 123     103.183  26.890  50.878  1.00 19.92           O  
-ATOM  19187  CB  CYS L 123     100.022  26.057  52.064  1.00 20.84           C  
-ATOM  19188  SG  CYS L 123     100.461  24.396  51.505  1.00 25.20           S  
-ATOM  19189  N   ASP L 124     102.646  27.063  53.056  1.00 20.03           N  
-ATOM  19190  CA  ASP L 124     104.024  27.014  53.551  1.00 19.75           C  
-ATOM  19191  C   ASP L 124     104.615  25.605  53.425  1.00 19.56           C  
-ATOM  19192  O   ASP L 124     104.258  24.699  54.178  1.00 19.44           O  
-ATOM  19193  CB  ASP L 124     104.063  27.479  55.001  1.00 19.56           C  
-ATOM  19194  CG  ASP L 124     105.436  27.930  55.426  1.00 20.38           C  
-ATOM  19195  OD1 ASP L 124     106.382  27.781  54.624  1.00 19.87           O  
-ATOM  19196  OD2 ASP L 124     105.662  28.457  56.540  1.00 21.48           O  
-ATOM  19197  N   VAL L 125     105.517  25.434  52.463  1.00 19.29           N  
-ATOM  19198  CA  VAL L 125     106.191  24.156  52.235  1.00 18.98           C  
-ATOM  19199  C   VAL L 125     107.603  24.152  52.872  1.00 18.68           C  
-ATOM  19200  O   VAL L 125     108.306  23.139  52.864  1.00 18.50           O  
-ATOM  19201  CB  VAL L 125     106.206  23.818  50.716  1.00 19.12           C  
-ATOM  19202  CG1 VAL L 125     106.964  22.539  50.417  1.00 19.28           C  
-ATOM  19203  CG2 VAL L 125     104.794  23.701  50.203  1.00 18.63           C  
-ATOM  19204  N   SER L 126     108.002  25.274  53.458  1.00 18.49           N  
-ATOM  19205  CA  SER L 126     109.315  25.349  54.093  1.00 18.67           C  
-ATOM  19206  C   SER L 126     109.462  24.315  55.213  1.00 18.28           C  
-ATOM  19207  O   SER L 126     108.528  24.091  55.980  1.00 18.03           O  
-ATOM  19208  CB  SER L 126     109.612  26.766  54.597  1.00 18.49           C  
-ATOM  19209  OG  SER L 126     108.810  27.099  55.707  1.00 18.63           O  
-ATOM  19210  N   GLY L 127     110.632  23.685  55.278  1.00 18.13           N  
-ATOM  19211  CA  GLY L 127     110.917  22.682  56.291  1.00 17.79           C  
-ATOM  19212  C   GLY L 127     110.453  21.267  55.954  1.00 17.62           C  
-ATOM  19213  O   GLY L 127     110.625  20.345  56.761  1.00 17.40           O  
-ATOM  19214  N   VAL L 128     109.892  21.081  54.761  1.00 17.22           N  
-ATOM  19215  CA  VAL L 128     109.401  19.769  54.356  1.00 17.39           C  
-ATOM  19216  C   VAL L 128     110.422  18.611  54.439  1.00 17.45           C  
-ATOM  19217  O   VAL L 128     110.038  17.482  54.766  1.00 17.46           O  
-ATOM  19218  CB  VAL L 128     108.693  19.788  52.984  1.00 17.04           C  
-ATOM  19219  CG1 VAL L 128     109.674  19.997  51.861  1.00 16.91           C  
-ATOM  19220  CG2 VAL L 128     107.930  18.489  52.781  1.00 17.38           C  
-ATOM  19221  N   ASP L 129     111.688  18.879  54.119  1.00 17.78           N  
-ATOM  19222  CA  ASP L 129     112.743  17.855  54.171  1.00 18.50           C  
-ATOM  19223  C   ASP L 129     113.591  17.947  55.467  1.00 18.07           C  
-ATOM  19224  O   ASP L 129     114.778  17.614  55.494  1.00 17.69           O  
-ATOM  19225  CB  ASP L 129     113.605  17.910  52.893  1.00 19.10           C  
-ATOM  19226  CG  ASP L 129     114.557  16.700  52.750  1.00 23.57           C  
-ATOM  19227  OD1 ASP L 129     114.148  15.525  53.024  1.00 26.97           O  
-ATOM  19228  OD2 ASP L 129     115.753  16.828  52.366  1.00 26.18           O  
-ATOM  19229  N   THR L 130     112.965  18.403  56.545  1.00 17.81           N  
-ATOM  19230  CA  THR L 130     113.598  18.467  57.855  1.00 17.46           C  
-ATOM  19231  C   THR L 130     112.740  17.638  58.790  1.00 17.75           C  
-ATOM  19232  O   THR L 130     111.622  17.273  58.427  1.00 18.08           O  
-ATOM  19233  CB  THR L 130     113.697  19.930  58.369  1.00 17.59           C  
-ATOM  19234  OG1 THR L 130     112.382  20.479  58.518  1.00 15.94           O  
-ATOM  19235  CG2 THR L 130     114.353  20.860  57.327  1.00 17.34           C  
-ATOM  19236  N   GLU L 131     113.268  17.352  59.983  1.00 18.39           N  
-ATOM  19237  CA  GLU L 131     112.602  16.563  61.031  1.00 18.63           C  
-ATOM  19238  C   GLU L 131     111.262  17.140  61.486  1.00 18.54           C  
-ATOM  19239  O   GLU L 131     110.270  16.417  61.585  1.00 18.66           O  
-ATOM  19240  CB  GLU L 131     113.514  16.455  62.262  1.00 18.72           C  
-ATOM  19241  CG  GLU L 131     114.392  15.222  62.312  1.00 20.14           C  
-ATOM  19242  CD  GLU L 131     114.669  14.757  63.736  1.00 21.14           C  
-ATOM  19243  OE1 GLU L 131     115.485  15.393  64.450  1.00 18.96           O  
-ATOM  19244  OE2 GLU L 131     114.047  13.750  64.140  1.00 23.28           O  
-ATOM  19245  N   SER L 132     111.246  18.436  61.788  1.00 18.50           N  
-ATOM  19246  CA  SER L 132     110.033  19.112  62.258  1.00 18.90           C  
-ATOM  19247  C   SER L 132     108.978  19.222  61.156  1.00 18.74           C  
-ATOM  19248  O   SER L 132     107.809  19.433  61.437  1.00 18.88           O  
-ATOM  19249  CB  SER L 132     110.365  20.501  62.804  1.00 19.03           C  
-ATOM  19250  OG  SER L 132     110.740  21.388  61.757  1.00 19.02           O  
-ATOM  19251  N   GLY L 133     109.413  19.089  59.906  1.00 18.60           N  
-ATOM  19252  CA  GLY L 133     108.520  19.086  58.762  1.00 18.21           C  
-ATOM  19253  C   GLY L 133     107.952  20.442  58.369  1.00 18.33           C  
-ATOM  19254  O   GLY L 133     108.259  21.465  58.989  1.00 17.67           O  
-ATOM  19255  N   ALA L 134     107.124  20.432  57.325  1.00 18.24           N  
-ATOM  19256  CA  ALA L 134     106.409  21.607  56.891  1.00 18.82           C  
-ATOM  19257  C   ALA L 134     104.987  21.629  57.469  1.00 19.18           C  
-ATOM  19258  O   ALA L 134     104.449  20.593  57.827  1.00 19.01           O  
-ATOM  19259  CB  ALA L 134     106.370  21.635  55.375  1.00 18.97           C  
-ATOM  19260  N   THR L 135     104.392  22.814  57.565  1.00 19.85           N  
-ATOM  19261  CA  THR L 135     103.011  22.938  58.008  1.00 20.72           C  
-ATOM  19262  C   THR L 135     102.210  23.720  56.978  1.00 21.44           C  
-ATOM  19263  O   THR L 135     102.344  24.937  56.868  1.00 21.64           O  
-ATOM  19264  CB  THR L 135     102.930  23.559  59.423  1.00 20.48           C  
-ATOM  19265  OG1 THR L 135     103.718  22.767  60.325  1.00 21.41           O  
-ATOM  19266  CG2 THR L 135     101.528  23.435  60.005  1.00 19.90           C  
-ATOM  19267  N   CYS L 136     101.402  22.987  56.213  1.00 21.75           N  
-ATOM  19268  CA  CYS L 136     100.546  23.538  55.173  1.00 22.80           C  
-ATOM  19269  C   CYS L 136      99.146  23.758  55.740  1.00 22.43           C  
-ATOM  19270  O   CYS L 136      98.501  22.837  56.248  1.00 22.33           O  
-ATOM  19271  CB  CYS L 136     100.527  22.572  53.977  1.00 22.78           C  
-ATOM  19272  SG  CYS L 136      99.447  22.968  52.593  1.00 27.69           S  
-ATOM  19273  N   ARG L 137      98.680  25.002  55.664  1.00 22.20           N  
-ATOM  19274  CA  ARG L 137      97.366  25.341  56.186  1.00 21.63           C  
-ATOM  19275  C   ARG L 137      96.339  25.430  55.035  1.00 20.79           C  
-ATOM  19276  O   ARG L 137      96.551  26.131  54.055  1.00 20.38           O  
-ATOM  19277  CB  ARG L 137      97.465  26.626  57.003  1.00 21.40           C  
-ATOM  19278  CG  ARG L 137      96.148  27.315  57.309  1.00 23.87           C  
-ATOM  19279  CD  ARG L 137      96.246  28.307  58.462  1.00 27.00           C  
-ATOM  19280  NE  ARG L 137      97.633  28.641  58.803  1.00 27.10           N  
-ATOM  19281  CZ  ARG L 137      98.325  29.645  58.270  1.00 27.30           C  
-ATOM  19282  NH1 ARG L 137      97.780  30.433  57.349  1.00 24.51           N  
-ATOM  19283  NH2 ARG L 137      99.582  29.852  58.655  1.00 27.47           N  
-ATOM  19284  N   ILE L 138      95.244  24.679  55.150  1.00 19.65           N  
-ATOM  19285  CA  ILE L 138      94.165  24.720  54.150  1.00 18.57           C  
-ATOM  19286  C   ILE L 138      92.919  25.342  54.777  1.00 18.19           C  
-ATOM  19287  O   ILE L 138      92.422  24.852  55.800  1.00 17.76           O  
-ATOM  19288  CB  ILE L 138      93.845  23.305  53.598  1.00 17.99           C  
-ATOM  19289  CG1 ILE L 138      95.042  22.686  52.861  1.00 17.92           C  
-ATOM  19290  CG2 ILE L 138      92.593  23.305  52.668  1.00 16.74           C  
-ATOM  19291  CD1 ILE L 138      94.741  21.262  52.359  1.00 14.15           C  
-ATOM  19292  N   LYS L 139      92.428  26.406  54.152  1.00 17.33           N  
-ATOM  19293  CA  LYS L 139      91.354  27.231  54.712  1.00 17.37           C  
-ATOM  19294  C   LYS L 139      90.062  26.984  53.934  1.00 17.08           C  
-ATOM  19295  O   LYS L 139      89.985  27.283  52.752  1.00 17.07           O  
-ATOM  19296  CB  LYS L 139      91.760  28.721  54.660  1.00 17.04           C  
-ATOM  19297  CG  LYS L 139      90.597  29.704  54.817  1.00 16.87           C  
-ATOM  19298  CD  LYS L 139      91.062  31.166  54.933  1.00 19.46           C  
-ATOM  19299  CE  LYS L 139      89.834  32.093  55.072  1.00 21.44           C  
-ATOM  19300  NZ  LYS L 139      90.181  33.523  54.803  1.00 23.42           N  
-ATOM  19301  N   ILE L 140      89.054  26.418  54.592  1.00 16.92           N  
-ATOM  19302  CA  ILE L 140      87.794  26.091  53.918  1.00 16.54           C  
-ATOM  19303  C   ILE L 140      86.578  26.754  54.585  1.00 16.17           C  
-ATOM  19304  O   ILE L 140      86.401  26.701  55.803  1.00 15.45           O  
-ATOM  19305  CB  ILE L 140      87.585  24.557  53.850  1.00 17.16           C  
-ATOM  19306  CG1 ILE L 140      88.630  23.896  52.942  1.00 16.91           C  
-ATOM  19307  CG2 ILE L 140      86.140  24.203  53.395  1.00 15.23           C  
-ATOM  19308  CD1 ILE L 140      88.987  22.474  53.416  1.00 18.81           C  
-ATOM  19309  N   GLY L 141      85.730  27.365  53.768  1.00 15.30           N  
-ATOM  19310  CA  GLY L 141      84.492  27.920  54.271  1.00 14.83           C  
-ATOM  19311  C   GLY L 141      83.457  28.093  53.180  1.00 14.74           C  
-ATOM  19312  O   GLY L 141      83.712  27.848  52.014  1.00 14.87           O  
-ATOM  19313  N   SER L 142      82.272  28.518  53.566  1.00 13.89           N  
-ATOM  19314  CA  SER L 142      81.244  28.811  52.601  1.00 13.75           C  
-ATOM  19315  C   SER L 142      81.696  29.993  51.792  1.00 13.41           C  
-ATOM  19316  O   SER L 142      82.113  31.003  52.363  1.00 13.47           O  
-ATOM  19317  CB  SER L 142      79.955  29.201  53.309  1.00 13.42           C  
-ATOM  19318  OG  SER L 142      79.028  29.688  52.358  1.00 12.17           O  
-ATOM  19319  N   TRP L 143      81.613  29.876  50.470  1.00 12.68           N  
-ATOM  19320  CA  TRP L 143      81.954  31.001  49.606  1.00 12.09           C  
-ATOM  19321  C   TRP L 143      81.011  32.193  49.724  1.00 11.92           C  
-ATOM  19322  O   TRP L 143      81.447  33.345  49.617  1.00 11.89           O  
-ATOM  19323  CB  TRP L 143      82.059  30.599  48.125  1.00 11.47           C  
-ATOM  19324  CG  TRP L 143      82.902  31.590  47.309  1.00  8.90           C  
-ATOM  19325  CD1 TRP L 143      82.497  32.366  46.243  1.00  9.06           C  
-ATOM  19326  CD2 TRP L 143      84.278  31.907  47.524  1.00  8.91           C  
-ATOM  19327  NE1 TRP L 143      83.536  33.144  45.783  1.00  6.06           N  
-ATOM  19328  CE2 TRP L 143      84.648  32.886  46.552  1.00  9.95           C  
-ATOM  19329  CE3 TRP L 143      85.239  31.492  48.458  1.00 11.78           C  
-ATOM  19330  CZ2 TRP L 143      85.947  33.415  46.470  1.00  8.89           C  
-ATOM  19331  CZ3 TRP L 143      86.543  32.046  48.395  1.00 11.91           C  
-ATOM  19332  CH2 TRP L 143      86.868  33.006  47.400  1.00 11.21           C  
-ATOM  19333  N   THR L 144      79.712  31.917  49.843  1.00 11.64           N  
-ATOM  19334  CA  THR L 144      78.718  32.969  49.729  1.00 11.33           C  
-ATOM  19335  C   THR L 144      77.757  33.081  50.884  1.00 11.23           C  
-ATOM  19336  O   THR L 144      76.859  33.906  50.811  1.00 11.08           O  
-ATOM  19337  CB  THR L 144      77.888  32.863  48.433  1.00 11.36           C  
-ATOM  19338  OG1 THR L 144      76.844  31.900  48.626  1.00 10.42           O  
-ATOM  19339  CG2 THR L 144      78.722  32.358  47.274  1.00 11.58           C  
-ATOM  19340  N   HIS L 145      77.889  32.236  51.908  1.00 11.00           N  
-ATOM  19341  CA  HIS L 145      76.911  32.245  52.995  1.00 11.10           C  
-ATOM  19342  C   HIS L 145      77.644  32.643  54.287  1.00 11.27           C  
-ATOM  19343  O   HIS L 145      78.554  31.931  54.745  1.00 11.25           O  
-ATOM  19344  CB  HIS L 145      76.244  30.874  53.176  1.00 10.69           C  
-ATOM  19345  CG  HIS L 145      75.204  30.531  52.141  1.00 12.22           C  
-ATOM  19346  ND1 HIS L 145      73.904  31.013  52.190  1.00  9.17           N  
-ATOM  19347  CD2 HIS L 145      75.241  29.661  51.094  1.00 10.05           C  
-ATOM  19348  CE1 HIS L 145      73.205  30.501  51.190  1.00  9.80           C  
-ATOM  19349  NE2 HIS L 145      73.988  29.668  50.514  1.00 11.42           N  
-ATOM  19350  N   HIS L 146      77.249  33.773  54.857  1.00 10.77           N  
-ATOM  19351  CA  HIS L 146      77.892  34.293  56.032  1.00 11.27           C  
-ATOM  19352  C   HIS L 146      77.440  33.540  57.278  1.00 11.61           C  
-ATOM  19353  O   HIS L 146      76.622  32.628  57.177  1.00 11.43           O  
-ATOM  19354  CB  HIS L 146      77.602  35.779  56.149  1.00 11.01           C  
-ATOM  19355  CG  HIS L 146      76.150  36.100  56.337  1.00 12.60           C  
-ATOM  19356  ND1 HIS L 146      75.458  36.933  55.487  1.00 13.48           N  
-ATOM  19357  CD2 HIS L 146      75.267  35.728  57.293  1.00 11.49           C  
-ATOM  19358  CE1 HIS L 146      74.215  37.056  55.905  1.00 10.70           C  
-ATOM  19359  NE2 HIS L 146      74.072  36.332  56.998  1.00 11.27           N  
-ATOM  19360  N   SER L 147      77.915  33.987  58.450  1.00 11.83           N  
-ATOM  19361  CA  SER L 147      77.824  33.228  59.689  1.00 11.97           C  
-ATOM  19362  C   SER L 147      76.402  33.039  60.238  1.00 12.23           C  
-ATOM  19363  O   SER L 147      76.166  32.164  61.070  1.00 12.55           O  
-ATOM  19364  CB  SER L 147      78.763  33.824  60.744  1.00 11.68           C  
-ATOM  19365  OG  SER L 147      78.259  35.046  61.256  1.00 12.68           O  
-ATOM  19366  N   ARG L 148      75.446  33.836  59.778  1.00 12.52           N  
-ATOM  19367  CA  ARG L 148      74.062  33.625  60.197  1.00 12.69           C  
-ATOM  19368  C   ARG L 148      73.369  32.573  59.329  1.00 12.69           C  
-ATOM  19369  O   ARG L 148      72.249  32.157  59.628  1.00 12.79           O  
-ATOM  19370  CB  ARG L 148      73.288  34.938  60.234  1.00 12.85           C  
-ATOM  19371  CG  ARG L 148      74.078  36.061  60.939  1.00 15.44           C  
-ATOM  19372  CD  ARG L 148      73.294  37.318  61.249  1.00 21.28           C  
-ATOM  19373  NE  ARG L 148      72.676  37.914  60.060  1.00 25.14           N  
-ATOM  19374  CZ  ARG L 148      71.366  37.945  59.808  1.00 26.54           C  
-ATOM  19375  NH1 ARG L 148      70.489  37.403  60.649  1.00 27.88           N  
-ATOM  19376  NH2 ARG L 148      70.930  38.533  58.707  1.00 27.67           N  
-ATOM  19377  N   GLU L 149      74.058  32.115  58.293  1.00 12.38           N  
-ATOM  19378  CA  GLU L 149      73.481  31.206  57.317  1.00 12.59           C  
-ATOM  19379  C   GLU L 149      74.192  29.849  57.334  1.00 12.77           C  
-ATOM  19380  O   GLU L 149      73.535  28.800  57.353  1.00 12.20           O  
-ATOM  19381  CB  GLU L 149      73.518  31.858  55.940  1.00 12.78           C  
-ATOM  19382  CG  GLU L 149      72.341  32.792  55.718  1.00 15.31           C  
-ATOM  19383  CD  GLU L 149      72.436  33.587  54.432  1.00 19.29           C  
-ATOM  19384  OE1 GLU L 149      72.950  33.057  53.406  1.00 19.27           O  
-ATOM  19385  OE2 GLU L 149      71.981  34.755  54.447  1.00 18.05           O  
-ATOM  19386  N   ILE L 150      75.531  29.878  57.331  1.00 12.90           N  
-ATOM  19387  CA  ILE L 150      76.317  28.666  57.510  1.00 13.59           C  
-ATOM  19388  C   ILE L 150      77.359  28.858  58.612  1.00 14.92           C  
-ATOM  19389  O   ILE L 150      78.091  29.862  58.615  1.00 15.11           O  
-ATOM  19390  CB  ILE L 150      77.021  28.296  56.233  1.00 12.98           C  
-ATOM  19391  CG1 ILE L 150      76.013  27.883  55.175  1.00 12.83           C  
-ATOM  19392  CG2 ILE L 150      77.965  27.112  56.453  1.00 15.31           C  
-ATOM  19393  CD1 ILE L 150      76.661  27.431  53.883  1.00  7.26           C  
-ATOM  19394  N   SER L 151      77.432  27.904  59.538  1.00 16.04           N  
-ATOM  19395  CA  SER L 151      78.572  27.821  60.456  1.00 18.16           C  
-ATOM  19396  C   SER L 151      79.377  26.614  60.046  1.00 19.47           C  
-ATOM  19397  O   SER L 151      78.805  25.617  59.580  1.00 19.67           O  
-ATOM  19398  CB  SER L 151      78.144  27.709  61.928  1.00 18.24           C  
-ATOM  19399  OG  SER L 151      76.893  27.050  62.045  1.00 21.26           O  
-ATOM  19400  N   VAL L 152      80.706  26.710  60.144  1.00 21.00           N  
-ATOM  19401  CA  VAL L 152      81.539  25.537  59.842  1.00 23.07           C  
-ATOM  19402  C   VAL L 152      82.240  25.115  61.109  1.00 24.98           C  
-ATOM  19403  O   VAL L 152      82.852  25.951  61.795  1.00 24.90           O  
-ATOM  19404  CB  VAL L 152      82.618  25.766  58.778  1.00 22.91           C  
-ATOM  19405  CG1 VAL L 152      82.149  25.294  57.405  1.00 22.27           C  
-ATOM  19406  CG2 VAL L 152      83.069  27.193  58.770  1.00 23.10           C  
-ATOM  19407  N   ASP L 153      82.142  23.828  61.427  1.00 28.15           N  
-ATOM  19408  CA  ASP L 153      82.808  23.319  62.625  1.00 31.73           C  
-ATOM  19409  C   ASP L 153      83.716  22.132  62.295  1.00 33.57           C  
-ATOM  19410  O   ASP L 153      83.367  21.303  61.467  1.00 33.24           O  
-ATOM  19411  CB  ASP L 153      81.837  23.022  63.806  1.00 31.72           C  
-ATOM  19412  CG  ASP L 153      80.329  23.005  63.417  1.00 34.81           C  
-ATOM  19413  OD1 ASP L 153      79.892  23.586  62.389  1.00 38.10           O  
-ATOM  19414  OD2 ASP L 153      79.478  22.417  64.134  1.00 37.27           O  
-ATOM  19415  N   PRO L 154      84.894  22.075  62.913  1.00 36.16           N  
-ATOM  19416  CA  PRO L 154      85.764  20.897  62.793  1.00 38.13           C  
-ATOM  19417  C   PRO L 154      85.113  19.663  63.404  1.00 40.17           C  
-ATOM  19418  O   PRO L 154      84.476  19.759  64.448  1.00 40.07           O  
-ATOM  19419  CB  PRO L 154      86.992  21.281  63.619  1.00 38.43           C  
-ATOM  19420  CG  PRO L 154      86.503  22.364  64.568  1.00 37.56           C  
-ATOM  19421  CD  PRO L 154      85.501  23.128  63.751  1.00 36.24           C  
-ATOM  19422  N   THR L 155      85.228  18.527  62.726  1.00 42.64           N  
-ATOM  19423  CA  THR L 155      84.915  17.232  63.335  1.00 44.61           C  
-ATOM  19424  C   THR L 155      86.256  16.547  63.568  1.00 45.72           C  
-ATOM  19425  O   THR L 155      87.283  16.965  63.016  1.00 46.20           O  
-ATOM  19426  CB  THR L 155      83.999  16.350  62.411  1.00 44.90           C  
-ATOM  19427  OG1 THR L 155      83.399  17.152  61.383  1.00 44.80           O  
-ATOM  19428  CG2 THR L 155      82.795  15.764  63.193  1.00 45.30           C  
-ATOM  19429  N   THR L 156      86.256  15.512  64.399  1.00 47.19           N  
-ATOM  19430  CA  THR L 156      87.444  14.678  64.573  1.00 48.51           C  
-ATOM  19431  C   THR L 156      86.995  13.248  64.865  1.00 49.19           C  
-ATOM  19432  O   THR L 156      86.247  12.997  65.822  1.00 49.54           O  
-ATOM  19433  CB  THR L 156      88.420  15.262  65.661  1.00 48.71           C  
-ATOM  19434  OG1 THR L 156      88.891  16.556  65.237  1.00 48.73           O  
-ATOM  19435  CG2 THR L 156      89.713  14.426  65.784  1.00 48.11           C  
-ATOM  19436  N   GLU L 157      87.427  12.327  64.002  1.00 49.72           N  
-ATOM  19437  CA  GLU L 157      87.057  10.920  64.107  1.00 50.09           C  
-ATOM  19438  C   GLU L 157      88.039  10.208  65.041  1.00 49.65           C  
-ATOM  19439  O   GLU L 157      87.998   8.983  65.215  1.00 49.49           O  
-ATOM  19440  CB  GLU L 157      86.987  10.294  62.704  1.00 50.44           C  
-ATOM  19441  CG  GLU L 157      85.583   9.858  62.266  1.00 52.10           C  
-ATOM  19442  CD  GLU L 157      84.511  10.957  62.315  1.00 55.45           C  
-ATOM  19443  OE1 GLU L 157      84.831  12.123  62.670  1.00 56.50           O  
-ATOM  19444  OE2 GLU L 157      83.325  10.653  61.992  1.00 55.20           O  
-ATOM  19445  N   ASN L 158      88.900  11.031  65.646  1.00 49.37           N  
-ATOM  19446  CA  ASN L 158      89.907  10.651  66.643  1.00 49.16           C  
-ATOM  19447  C   ASN L 158      90.727   9.409  66.302  1.00 48.61           C  
-ATOM  19448  O   ASN L 158      91.490   8.888  67.133  1.00 48.61           O  
-ATOM  19449  CB  ASN L 158      89.307  10.594  68.062  1.00 49.59           C  
-ATOM  19450  CG  ASN L 158      89.250  11.970  68.720  1.00 49.71           C  
-ATOM  19451  OD1 ASN L 158      88.330  12.759  68.461  1.00 50.26           O  
-ATOM  19452  ND2 ASN L 158      90.244  12.272  69.553  1.00 48.27           N  
-ATOM  19453  N   SER L 159      90.562   8.953  65.063  1.00 47.54           N  
-ATOM  19454  CA  SER L 159      91.460   7.975  64.477  1.00 46.41           C  
-ATOM  19455  C   SER L 159      92.786   8.669  64.132  1.00 45.51           C  
-ATOM  19456  O   SER L 159      92.835   9.904  64.010  1.00 45.25           O  
-ATOM  19457  CB  SER L 159      90.817   7.345  63.237  1.00 46.25           C  
-ATOM  19458  OG  SER L 159      90.210   8.312  62.396  1.00 46.25           O  
-ATOM  19459  N   ASP L 160      93.854   7.880  64.001  1.00 44.33           N  
-ATOM  19460  CA  ASP L 160      95.129   8.390  63.490  1.00 43.09           C  
-ATOM  19461  C   ASP L 160      94.895   9.318  62.297  1.00 42.07           C  
-ATOM  19462  O   ASP L 160      93.973   9.093  61.491  1.00 41.78           O  
-ATOM  19463  CB  ASP L 160      96.057   7.236  63.077  1.00 43.03           C  
-ATOM  19464  CG  ASP L 160      97.532   7.545  63.332  1.00 43.22           C  
-ATOM  19465  OD1 ASP L 160      97.968   7.454  64.505  1.00 43.55           O  
-ATOM  19466  OD2 ASP L 160      98.336   7.876  62.426  1.00 41.45           O  
-ATOM  19467  N   ASP L 161      95.712  10.371  62.209  1.00 40.80           N  
-ATOM  19468  CA  ASP L 161      95.733  11.258  61.043  1.00 39.62           C  
-ATOM  19469  C   ASP L 161      96.251  10.492  59.832  1.00 38.48           C  
-ATOM  19470  O   ASP L 161      95.822  10.711  58.700  1.00 37.80           O  
-ATOM  19471  CB  ASP L 161      96.637  12.467  61.297  1.00 40.05           C  
-ATOM  19472  CG  ASP L 161      96.202  13.290  62.495  1.00 40.57           C  
-ATOM  19473  OD1 ASP L 161      94.993  13.640  62.584  1.00 41.33           O  
-ATOM  19474  OD2 ASP L 161      97.012  13.635  63.387  1.00 39.54           O  
-ATOM  19475  N   SER L 162      97.181   9.577  60.094  1.00 37.30           N  
-ATOM  19476  CA  SER L 162      97.721   8.710  59.054  1.00 36.08           C  
-ATOM  19477  C   SER L 162      96.909   7.405  58.923  1.00 35.26           C  
-ATOM  19478  O   SER L 162      97.392   6.424  58.351  1.00 35.79           O  
-ATOM  19479  CB  SER L 162      99.217   8.430  59.302  1.00 35.93           C  
-ATOM  19480  OG  SER L 162      99.873   9.566  59.857  1.00 36.08           O  
-ATOM  19481  N   GLU L 163      95.677   7.384  59.436  1.00 33.69           N  
-ATOM  19482  CA  GLU L 163      94.877   6.166  59.344  1.00 32.09           C  
-ATOM  19483  C   GLU L 163      94.761   5.709  57.891  1.00 30.45           C  
-ATOM  19484  O   GLU L 163      95.137   4.576  57.562  1.00 30.51           O  
-ATOM  19485  CB  GLU L 163      93.481   6.333  59.954  1.00 32.37           C  
-ATOM  19486  CG  GLU L 163      92.656   5.067  59.812  1.00 32.49           C  
-ATOM  19487  CD  GLU L 163      91.662   4.873  60.928  1.00 34.42           C  
-ATOM  19488  OE1 GLU L 163      90.568   5.480  60.833  1.00 32.73           O  
-ATOM  19489  OE2 GLU L 163      91.972   4.099  61.886  1.00 35.79           O  
-ATOM  19490  N   TYR L 164      94.271   6.611  57.040  1.00 28.09           N  
-ATOM  19491  CA  TYR L 164      93.972   6.306  55.645  1.00 25.97           C  
-ATOM  19492  C   TYR L 164      95.016   6.896  54.695  1.00 23.95           C  
-ATOM  19493  O   TYR L 164      94.891   6.781  53.474  1.00 22.78           O  
-ATOM  19494  CB  TYR L 164      92.530   6.758  55.297  1.00 26.38           C  
-ATOM  19495  CG  TYR L 164      91.505   6.072  56.175  1.00 27.46           C  
-ATOM  19496  CD1 TYR L 164      91.506   4.680  56.289  1.00 29.14           C  
-ATOM  19497  CD2 TYR L 164      90.559   6.801  56.910  1.00 29.16           C  
-ATOM  19498  CE1 TYR L 164      90.606   4.015  57.088  1.00 30.07           C  
-ATOM  19499  CE2 TYR L 164      89.627   6.138  57.730  1.00 30.00           C  
-ATOM  19500  CZ  TYR L 164      89.669   4.732  57.809  1.00 32.03           C  
-ATOM  19501  OH  TYR L 164      88.797   4.006  58.610  1.00 34.44           O  
-ATOM  19502  N   PHE L 165      96.055   7.505  55.268  1.00 21.97           N  
-ATOM  19503  CA  PHE L 165      97.168   8.024  54.484  1.00 19.96           C  
-ATOM  19504  C   PHE L 165      97.968   6.893  53.876  1.00 19.21           C  
-ATOM  19505  O   PHE L 165      98.323   5.938  54.562  1.00 18.79           O  
-ATOM  19506  CB  PHE L 165      98.091   8.915  55.319  1.00 19.54           C  
-ATOM  19507  CG  PHE L 165      99.040   9.742  54.485  1.00 18.73           C  
-ATOM  19508  CD1 PHE L 165      98.567  10.796  53.700  1.00 17.49           C  
-ATOM  19509  CD2 PHE L 165     100.398   9.441  54.458  1.00 17.51           C  
-ATOM  19510  CE1 PHE L 165      99.448  11.574  52.925  1.00 18.34           C  
-ATOM  19511  CE2 PHE L 165     101.284  10.198  53.674  1.00 17.68           C  
-ATOM  19512  CZ  PHE L 165     100.811  11.266  52.906  1.00 17.22           C  
-ATOM  19513  N   SER L 166      98.262   7.012  52.585  1.00 18.14           N  
-ATOM  19514  CA  SER L 166      99.030   5.981  51.876  1.00 17.61           C  
-ATOM  19515  C   SER L 166     100.416   5.690  52.478  1.00 17.15           C  
-ATOM  19516  O   SER L 166     101.234   6.598  52.672  1.00 16.04           O  
-ATOM  19517  CB  SER L 166      99.173   6.353  50.395  1.00 17.47           C  
-ATOM  19518  OG  SER L 166     100.009   5.440  49.695  1.00 17.41           O  
-ATOM  19519  N   GLN L 167     100.677   4.410  52.736  1.00 17.25           N  
-ATOM  19520  CA  GLN L 167     101.997   3.952  53.184  1.00 17.76           C  
-ATOM  19521  C   GLN L 167     103.072   4.065  52.077  1.00 17.59           C  
-ATOM  19522  O   GLN L 167     104.265   3.977  52.352  1.00 17.33           O  
-ATOM  19523  CB  GLN L 167     101.924   2.517  53.739  1.00 18.14           C  
-ATOM  19524  CG  GLN L 167     101.693   1.451  52.673  1.00 19.77           C  
-ATOM  19525  CD  GLN L 167     101.399   0.070  53.234  1.00 22.48           C  
-ATOM  19526  OE1 GLN L 167     102.312  -0.632  53.682  1.00 22.88           O  
-ATOM  19527  NE2 GLN L 167     100.134  -0.334  53.190  1.00 22.07           N  
-ATOM  19528  N   TYR L 168     102.646   4.307  50.841  1.00 17.57           N  
-ATOM  19529  CA  TYR L 168     103.540   4.330  49.686  1.00 17.10           C  
-ATOM  19530  C   TYR L 168     103.901   5.740  49.269  1.00 17.07           C  
-ATOM  19531  O   TYR L 168     104.766   5.949  48.410  1.00 17.44           O  
-ATOM  19532  CB  TYR L 168     102.928   3.551  48.521  1.00 17.48           C  
-ATOM  19533  CG  TYR L 168     102.621   2.111  48.889  1.00 17.17           C  
-ATOM  19534  CD1 TYR L 168     103.636   1.258  49.308  1.00 17.08           C  
-ATOM  19535  CD2 TYR L 168     101.316   1.619  48.857  1.00 17.24           C  
-ATOM  19536  CE1 TYR L 168     103.370  -0.066  49.673  1.00 18.00           C  
-ATOM  19537  CE2 TYR L 168     101.035   0.301  49.212  1.00 16.92           C  
-ATOM  19538  CZ  TYR L 168     102.073  -0.532  49.619  1.00 17.63           C  
-ATOM  19539  OH  TYR L 168     101.806  -1.822  49.972  1.00 19.22           O  
-ATOM  19540  N   SER L 169     103.272   6.723  49.894  1.00 16.31           N  
-ATOM  19541  CA  SER L 169     103.679   8.107  49.703  1.00 16.05           C  
-ATOM  19542  C   SER L 169     105.145   8.322  50.055  1.00 16.21           C  
-ATOM  19543  O   SER L 169     105.722   7.605  50.870  1.00 15.84           O  
-ATOM  19544  CB  SER L 169     102.846   9.036  50.566  1.00 15.83           C  
-ATOM  19545  OG  SER L 169     103.233  10.382  50.334  1.00 15.81           O  
-ATOM  19546  N   ARG L 170     105.726   9.340  49.435  1.00 16.53           N  
-ATOM  19547  CA  ARG L 170     107.083   9.783  49.721  1.00 16.93           C  
-ATOM  19548  C   ARG L 170     107.120  10.598  51.007  1.00 16.18           C  
-ATOM  19549  O   ARG L 170     108.191  10.819  51.578  1.00 15.45           O  
-ATOM  19550  CB  ARG L 170     107.541  10.715  48.604  1.00 17.31           C  
-ATOM  19551  CG  ARG L 170     108.507  10.118  47.655  1.00 20.12           C  
-ATOM  19552  CD  ARG L 170     108.950  11.097  46.619  1.00 23.72           C  
-ATOM  19553  NE  ARG L 170     107.803  11.819  46.081  1.00 26.44           N  
-ATOM  19554  CZ  ARG L 170     107.892  12.943  45.383  1.00 27.55           C  
-ATOM  19555  NH1 ARG L 170     109.102  13.470  45.140  1.00 25.32           N  
-ATOM  19556  NH2 ARG L 170     106.778  13.537  44.930  1.00 25.04           N  
-ATOM  19557  N   PHE L 171     105.955  11.114  51.396  1.00 15.59           N  
-ATOM  19558  CA  PHE L 171     105.824  11.930  52.601  1.00 15.46           C  
-ATOM  19559  C   PHE L 171     105.183  11.138  53.743  1.00 15.24           C  
-ATOM  19560  O   PHE L 171     104.696  10.033  53.520  1.00 14.50           O  
-ATOM  19561  CB  PHE L 171     105.045  13.215  52.266  1.00 15.02           C  
-ATOM  19562  CG  PHE L 171     105.660  13.986  51.149  1.00 14.47           C  
-ATOM  19563  CD1 PHE L 171     106.668  14.911  51.402  1.00 15.50           C  
-ATOM  19564  CD2 PHE L 171     105.279  13.755  49.834  1.00 13.36           C  
-ATOM  19565  CE1 PHE L 171     107.268  15.610  50.367  1.00 14.56           C  
-ATOM  19566  CE2 PHE L 171     105.878  14.438  48.795  1.00 12.35           C  
-ATOM  19567  CZ  PHE L 171     106.873  15.374  49.065  1.00 14.55           C  
-ATOM  19568  N   GLU L 172     105.234  11.685  54.958  1.00 15.97           N  
-ATOM  19569  CA  GLU L 172     104.543  11.116  56.127  1.00 17.11           C  
-ATOM  19570  C   GLU L 172     103.910  12.269  56.876  1.00 17.24           C  
-ATOM  19571  O   GLU L 172     104.408  13.390  56.834  1.00 17.20           O  
-ATOM  19572  CB  GLU L 172     105.480  10.308  57.038  1.00 17.16           C  
-ATOM  19573  CG  GLU L 172     106.669  11.076  57.591  1.00 18.96           C  
-ATOM  19574  CD  GLU L 172     107.603  10.212  58.456  1.00 22.58           C  
-ATOM  19575  OE1 GLU L 172     107.155   9.143  58.936  1.00 24.99           O  
-ATOM  19576  OE2 GLU L 172     108.785  10.602  58.646  1.00 22.56           O  
-ATOM  19577  N   ILE L 173     102.787  11.994  57.522  1.00 17.67           N  
-ATOM  19578  CA  ILE L 173     102.065  13.010  58.270  1.00 18.20           C  
-ATOM  19579  C   ILE L 173     102.471  12.936  59.724  1.00 18.73           C  
-ATOM  19580  O   ILE L 173     102.432  11.855  60.341  1.00 18.60           O  
-ATOM  19581  CB  ILE L 173     100.545  12.809  58.118  1.00 18.42           C  
-ATOM  19582  CG1 ILE L 173     100.135  13.072  56.671  1.00 18.59           C  
-ATOM  19583  CG2 ILE L 173      99.782  13.706  59.092  1.00 18.50           C  
-ATOM  19584  CD1 ILE L 173      98.724  12.790  56.398  1.00 20.49           C  
-ATOM  19585  N   LEU L 174     102.895  14.077  60.262  1.00 19.03           N  
-ATOM  19586  CA  LEU L 174     103.256  14.164  61.671  1.00 19.43           C  
-ATOM  19587  C   LEU L 174     102.055  14.537  62.535  1.00 19.78           C  
-ATOM  19588  O   LEU L 174     101.910  14.047  63.644  1.00 19.69           O  
-ATOM  19589  CB  LEU L 174     104.394  15.171  61.867  1.00 19.17           C  
-ATOM  19590  CG  LEU L 174     105.644  14.897  61.018  1.00 19.55           C  
-ATOM  19591  CD1 LEU L 174     106.622  16.040  61.113  1.00 19.67           C  
-ATOM  19592  CD2 LEU L 174     106.319  13.572  61.384  1.00 18.96           C  
-ATOM  19593  N   ASP L 175     101.207  15.422  62.013  1.00 20.28           N  
-ATOM  19594  CA  ASP L 175     100.085  15.963  62.774  1.00 21.22           C  
-ATOM  19595  C   ASP L 175      99.087  16.683  61.888  1.00 21.10           C  
-ATOM  19596  O   ASP L 175      99.454  17.294  60.876  1.00 20.77           O  
-ATOM  19597  CB  ASP L 175     100.588  16.926  63.863  1.00 21.85           C  
-ATOM  19598  CG  ASP L 175      99.749  16.863  65.134  1.00 24.36           C  
-ATOM  19599  OD1 ASP L 175      98.627  16.282  65.107  1.00 26.47           O  
-ATOM  19600  OD2 ASP L 175     100.135  17.379  66.201  1.00 27.77           O  
-ATOM  19601  N   VAL L 176      97.819  16.599  62.272  1.00 21.60           N  
-ATOM  19602  CA  VAL L 176      96.752  17.378  61.647  1.00 22.03           C  
-ATOM  19603  C   VAL L 176      95.980  18.065  62.773  1.00 22.90           C  
-ATOM  19604  O   VAL L 176      95.481  17.394  63.688  1.00 23.08           O  
-ATOM  19605  CB  VAL L 176      95.800  16.498  60.804  1.00 21.98           C  
-ATOM  19606  CG1 VAL L 176      94.725  17.335  60.127  1.00 21.27           C  
-ATOM  19607  CG2 VAL L 176      96.572  15.715  59.755  1.00 21.10           C  
-ATOM  19608  N   THR L 177      95.932  19.399  62.739  1.00 23.56           N  
-ATOM  19609  CA  THR L 177      95.089  20.160  63.666  1.00 24.14           C  
-ATOM  19610  C   THR L 177      94.120  21.045  62.892  1.00 24.09           C  
-ATOM  19611  O   THR L 177      94.380  21.378  61.740  1.00 23.74           O  
-ATOM  19612  CB  THR L 177      95.925  21.014  64.654  1.00 24.35           C  
-ATOM  19613  OG1 THR L 177      96.849  21.833  63.929  1.00 25.37           O  
-ATOM  19614  CG2 THR L 177      96.833  20.143  65.557  1.00 24.75           C  
-ATOM  19615  N   GLN L 178      93.003  21.406  63.526  1.00 24.99           N  
-ATOM  19616  CA  GLN L 178      92.017  22.315  62.931  1.00 25.78           C  
-ATOM  19617  C   GLN L 178      91.739  23.486  63.843  1.00 26.21           C  
-ATOM  19618  O   GLN L 178      91.634  23.306  65.045  1.00 26.31           O  
-ATOM  19619  CB  GLN L 178      90.701  21.615  62.619  1.00 25.64           C  
-ATOM  19620  CG  GLN L 178      90.637  20.156  63.030  1.00 27.94           C  
-ATOM  19621  CD  GLN L 178      90.734  19.228  61.837  1.00 30.07           C  
-ATOM  19622  OE1 GLN L 178      89.788  19.127  61.032  1.00 32.67           O  
-ATOM  19623  NE2 GLN L 178      91.874  18.553  61.707  1.00 29.33           N  
-ATOM  19624  N   LYS L 179      91.636  24.681  63.256  1.00 26.91           N  
-ATOM  19625  CA  LYS L 179      91.232  25.915  63.946  1.00 27.09           C  
-ATOM  19626  C   LYS L 179      89.995  26.465  63.227  1.00 27.24           C  
-ATOM  19627  O   LYS L 179      89.935  26.454  61.987  1.00 27.55           O  
-ATOM  19628  CB  LYS L 179      92.357  26.957  63.880  1.00 27.17           C  
-ATOM  19629  CG  LYS L 179      92.236  28.124  64.869  1.00 28.19           C  
-ATOM  19630  CD  LYS L 179      93.158  29.295  64.484  1.00 28.54           C  
-ATOM  19631  CE  LYS L 179      93.249  30.349  65.595  1.00 30.00           C  
-ATOM  19632  NZ  LYS L 179      94.651  30.982  65.730  1.00 29.15           N  
-ATOM  19633  N   LYS L 180      89.026  26.939  64.009  1.00 26.90           N  
-ATOM  19634  CA  LYS L 180      87.807  27.587  63.524  1.00 26.59           C  
-ATOM  19635  C   LYS L 180      88.014  29.101  63.499  1.00 26.32           C  
-ATOM  19636  O   LYS L 180      88.475  29.699  64.488  1.00 25.62           O  
-ATOM  19637  CB  LYS L 180      86.635  27.227  64.454  1.00 26.99           C  
-ATOM  19638  CG  LYS L 180      85.253  27.275  63.829  1.00 28.57           C  
-ATOM  19639  CD  LYS L 180      84.175  27.422  64.902  1.00 31.16           C  
-ATOM  19640  CE  LYS L 180      83.081  28.424  64.485  1.00 34.08           C  
-ATOM  19641  NZ  LYS L 180      81.710  27.803  64.268  1.00 34.93           N  
-ATOM  19642  N   ASN L 181      87.727  29.725  62.360  1.00 26.11           N  
-ATOM  19643  CA  ASN L 181      87.824  31.183  62.270  1.00 25.83           C  
-ATOM  19644  C   ASN L 181      86.517  31.824  61.830  1.00 25.59           C  
-ATOM  19645  O   ASN L 181      85.584  31.155  61.406  1.00 25.67           O  
-ATOM  19646  CB  ASN L 181      88.969  31.644  61.357  1.00 25.57           C  
-ATOM  19647  CG  ASN L 181      90.334  31.079  61.757  1.00 26.13           C  
-ATOM  19648  OD1 ASN L 181      91.006  31.581  62.681  1.00 24.93           O  
-ATOM  19649  ND2 ASN L 181      90.767  30.046  61.035  1.00 26.04           N  
-ATOM  19650  N   SER L 182      86.472  33.139  61.954  1.00 25.71           N  
-ATOM  19651  CA  SER L 182      85.347  33.944  61.518  1.00 25.80           C  
-ATOM  19652  C   SER L 182      85.970  35.247  61.010  1.00 25.48           C  
-ATOM  19653  O   SER L 182      86.581  35.962  61.799  1.00 24.67           O  
-ATOM  19654  CB  SER L 182      84.422  34.208  62.712  1.00 26.02           C  
-ATOM  19655  OG  SER L 182      83.116  34.578  62.296  1.00 26.31           O  
-ATOM  19656  N   VAL L 183      85.842  35.525  59.703  1.00 25.41           N  
-ATOM  19657  CA  VAL L 183      86.526  36.664  59.022  1.00 24.75           C  
-ATOM  19658  C   VAL L 183      85.540  37.603  58.321  1.00 24.70           C  
-ATOM  19659  O   VAL L 183      84.577  37.161  57.679  1.00 24.45           O  
-ATOM  19660  CB  VAL L 183      87.567  36.190  57.939  1.00 24.58           C  
-ATOM  19661  CG1 VAL L 183      88.129  37.385  57.122  1.00 25.39           C  
-ATOM  19662  CG2 VAL L 183      88.706  35.400  58.552  1.00 24.56           C  
-ATOM  19663  N   THR L 184      85.796  38.899  58.438  1.00 24.49           N  
-ATOM  19664  CA  THR L 184      85.023  39.923  57.749  1.00 24.58           C  
-ATOM  19665  C   THR L 184      85.882  40.486  56.604  1.00 24.27           C  
-ATOM  19666  O   THR L 184      86.974  41.036  56.840  1.00 23.59           O  
-ATOM  19667  CB  THR L 184      84.613  41.037  58.751  1.00 25.26           C  
-ATOM  19668  OG1 THR L 184      83.955  40.446  59.897  1.00 25.64           O  
-ATOM  19669  CG2 THR L 184      83.555  41.986  58.135  1.00 25.21           C  
-ATOM  19670  N   TYR L 185      85.412  40.293  55.366  1.00 23.53           N  
-ATOM  19671  CA  TYR L 185      86.132  40.753  54.174  1.00 22.97           C  
-ATOM  19672  C   TYR L 185      85.625  42.132  53.793  1.00 23.19           C  
-ATOM  19673  O   TYR L 185      84.481  42.475  54.096  1.00 22.94           O  
-ATOM  19674  CB  TYR L 185      85.979  39.766  53.001  1.00 22.53           C  
-ATOM  19675  CG  TYR L 185      86.427  38.362  53.363  1.00 22.17           C  
-ATOM  19676  CD1 TYR L 185      85.568  37.492  54.059  1.00 20.99           C  
-ATOM  19677  CD2 TYR L 185      87.707  37.917  53.056  1.00 20.44           C  
-ATOM  19678  CE1 TYR L 185      85.978  36.221  54.423  1.00 20.32           C  
-ATOM  19679  CE2 TYR L 185      88.121  36.643  53.409  1.00 20.21           C  
-ATOM  19680  CZ  TYR L 185      87.243  35.807  54.092  1.00 20.42           C  
-ATOM  19681  OH  TYR L 185      87.631  34.561  54.471  1.00 22.00           O  
-ATOM  19682  N   SER L 186      86.477  42.916  53.142  1.00 23.00           N  
-ATOM  19683  CA  SER L 186      86.126  44.259  52.694  1.00 23.62           C  
-ATOM  19684  C   SER L 186      84.903  44.279  51.782  1.00 23.93           C  
-ATOM  19685  O   SER L 186      84.100  45.222  51.829  1.00 23.88           O  
-ATOM  19686  CB  SER L 186      87.314  44.886  51.969  1.00 23.55           C  
-ATOM  19687  OG  SER L 186      88.535  44.427  52.532  1.00 25.40           O  
-ATOM  19688  N   CYS L 187      84.760  43.216  50.981  1.00 23.95           N  
-ATOM  19689  CA  CYS L 187      83.739  43.118  49.945  1.00 24.03           C  
-ATOM  19690  C   CYS L 187      82.314  43.336  50.465  1.00 23.89           C  
-ATOM  19691  O   CYS L 187      81.433  43.789  49.721  1.00 23.50           O  
-ATOM  19692  CB  CYS L 187      83.829  41.739  49.270  1.00 24.31           C  
-ATOM  19693  SG  CYS L 187      82.990  40.371  50.169  1.00 25.75           S  
-ATOM  19694  N   CYS L 188      82.106  42.991  51.740  1.00 23.91           N  
-ATOM  19695  CA  CYS L 188      80.781  42.698  52.299  1.00 23.54           C  
-ATOM  19696  C   CYS L 188      80.762  42.915  53.803  1.00 22.63           C  
-ATOM  19697  O   CYS L 188      81.759  42.679  54.460  1.00 22.80           O  
-ATOM  19698  CB  CYS L 188      80.459  41.224  52.039  1.00 24.03           C  
-ATOM  19699  SG  CYS L 188      80.958  40.603  50.421  1.00 26.88           S  
-ATOM  19700  N   PRO L 189      79.630  43.291  54.383  1.00 22.03           N  
-ATOM  19701  CA  PRO L 189      79.625  43.705  55.793  1.00 21.37           C  
-ATOM  19702  C   PRO L 189      79.580  42.582  56.849  1.00 20.86           C  
-ATOM  19703  O   PRO L 189      79.805  42.870  58.030  1.00 19.88           O  
-ATOM  19704  CB  PRO L 189      78.386  44.604  55.887  1.00 21.66           C  
-ATOM  19705  CG  PRO L 189      77.467  44.177  54.750  1.00 21.68           C  
-ATOM  19706  CD  PRO L 189      78.280  43.348  53.780  1.00 22.33           C  
-ATOM  19707  N   GLU L 190      79.329  41.331  56.447  1.00 20.10           N  
-ATOM  19708  CA  GLU L 190      79.167  40.264  57.438  1.00 19.97           C  
-ATOM  19709  C   GLU L 190      80.449  39.475  57.697  1.00 19.07           C  
-ATOM  19710  O   GLU L 190      81.496  39.755  57.106  1.00 19.75           O  
-ATOM  19711  CB  GLU L 190      77.987  39.338  57.085  1.00 20.56           C  
-ATOM  19712  CG  GLU L 190      76.625  40.029  57.057  1.00 22.72           C  
-ATOM  19713  CD  GLU L 190      75.884  40.001  58.398  1.00 26.20           C  
-ATOM  19714  OE1 GLU L 190      76.542  39.903  59.464  1.00 28.50           O  
-ATOM  19715  OE2 GLU L 190      74.630  40.095  58.388  1.00 25.48           O  
-ATOM  19716  N   ALA L 191      80.368  38.516  58.611  1.00 17.58           N  
-ATOM  19717  CA  ALA L 191      81.465  37.600  58.902  1.00 16.49           C  
-ATOM  19718  C   ALA L 191      81.210  36.231  58.262  1.00 16.07           C  
-ATOM  19719  O   ALA L 191      80.082  35.731  58.257  1.00 15.13           O  
-ATOM  19720  CB  ALA L 191      81.636  37.450  60.395  1.00 16.45           C  
-ATOM  19721  N   TYR L 192      82.268  35.627  57.736  1.00 15.80           N  
-ATOM  19722  CA  TYR L 192      82.183  34.321  57.102  1.00 16.29           C  
-ATOM  19723  C   TYR L 192      83.039  33.389  57.899  1.00 16.89           C  
-ATOM  19724  O   TYR L 192      84.163  33.739  58.253  1.00 17.14           O  
-ATOM  19725  CB  TYR L 192      82.669  34.370  55.645  1.00 15.45           C  
-ATOM  19726  CG  TYR L 192      81.755  35.189  54.764  1.00 16.14           C  
-ATOM  19727  CD1 TYR L 192      81.859  36.591  54.728  1.00 15.74           C  
-ATOM  19728  CD2 TYR L 192      80.750  34.580  54.005  1.00 15.22           C  
-ATOM  19729  CE1 TYR L 192      81.019  37.335  53.949  1.00 16.53           C  
-ATOM  19730  CE2 TYR L 192      79.909  35.327  53.218  1.00 15.73           C  
-ATOM  19731  CZ  TYR L 192      80.051  36.715  53.203  1.00 16.51           C  
-ATOM  19732  OH  TYR L 192      79.240  37.532  52.441  1.00 17.85           O  
-ATOM  19733  N   GLU L 193      82.512  32.209  58.185  1.00 17.39           N  
-ATOM  19734  CA  GLU L 193      83.239  31.226  58.981  1.00 18.09           C  
-ATOM  19735  C   GLU L 193      84.084  30.317  58.093  1.00 18.50           C  
-ATOM  19736  O   GLU L 193      83.749  30.071  56.944  1.00 18.17           O  
-ATOM  19737  CB  GLU L 193      82.269  30.400  59.827  1.00 17.97           C  
-ATOM  19738  CG  GLU L 193      81.595  31.212  60.920  1.00 18.25           C  
-ATOM  19739  CD  GLU L 193      80.874  30.364  61.944  1.00 19.89           C  
-ATOM  19740  OE1 GLU L 193      80.980  29.116  61.896  1.00 20.54           O  
-ATOM  19741  OE2 GLU L 193      80.199  30.941  62.809  1.00 21.61           O  
-ATOM  19742  N   ASP L 194      85.204  29.865  58.628  1.00 19.16           N  
-ATOM  19743  CA  ASP L 194      86.069  28.930  57.931  1.00 20.19           C  
-ATOM  19744  C   ASP L 194      86.683  27.959  58.921  1.00 19.85           C  
-ATOM  19745  O   ASP L 194      86.769  28.238  60.118  1.00 19.22           O  
-ATOM  19746  CB  ASP L 194      87.154  29.659  57.115  1.00 20.67           C  
-ATOM  19747  CG  ASP L 194      88.207  30.349  57.984  1.00 24.62           C  
-ATOM  19748  OD1 ASP L 194      88.985  29.647  58.666  1.00 27.79           O  
-ATOM  19749  OD2 ASP L 194      88.346  31.593  58.034  1.00 29.22           O  
-ATOM  19750  N   VAL L 195      87.084  26.806  58.416  1.00 19.37           N  
-ATOM  19751  CA  VAL L 195      87.983  25.946  59.163  1.00 19.74           C  
-ATOM  19752  C   VAL L 195      89.380  25.961  58.537  1.00 19.25           C  
-ATOM  19753  O   VAL L 195      89.534  25.801  57.325  1.00 19.02           O  
-ATOM  19754  CB  VAL L 195      87.452  24.508  59.271  1.00 20.11           C  
-ATOM  19755  CG1 VAL L 195      88.481  23.629  59.979  1.00 21.07           C  
-ATOM  19756  CG2 VAL L 195      86.145  24.494  60.061  1.00 20.74           C  
-ATOM  19757  N   GLU L 196      90.394  26.195  59.358  1.00 18.98           N  
-ATOM  19758  CA  GLU L 196      91.771  26.064  58.902  1.00 19.14           C  
-ATOM  19759  C   GLU L 196      92.319  24.698  59.313  1.00 18.68           C  
-ATOM  19760  O   GLU L 196      92.393  24.363  60.505  1.00 18.49           O  
-ATOM  19761  CB  GLU L 196      92.640  27.203  59.444  1.00 19.36           C  
-ATOM  19762  CG  GLU L 196      92.577  28.456  58.577  1.00 23.14           C  
-ATOM  19763  CD  GLU L 196      93.217  29.702  59.193  1.00 27.87           C  
-ATOM  19764  OE1 GLU L 196      93.803  29.636  60.306  1.00 28.62           O  
-ATOM  19765  OE2 GLU L 196      93.129  30.774  58.542  1.00 28.79           O  
-ATOM  19766  N   VAL L 197      92.676  23.903  58.308  1.00 18.05           N  
-ATOM  19767  CA  VAL L 197      93.288  22.610  58.533  1.00 17.76           C  
-ATOM  19768  C   VAL L 197      94.811  22.669  58.358  1.00 17.50           C  
-ATOM  19769  O   VAL L 197      95.296  22.949  57.262  1.00 17.39           O  
-ATOM  19770  CB  VAL L 197      92.674  21.529  57.627  1.00 17.99           C  
-ATOM  19771  CG1 VAL L 197      93.287  20.147  57.971  1.00 17.51           C  
-ATOM  19772  CG2 VAL L 197      91.166  21.470  57.817  1.00 18.27           C  
-ATOM  19773  N   SER L 198      95.549  22.418  59.438  1.00 17.22           N  
-ATOM  19774  CA  SER L 198      97.002  22.476  59.410  1.00 17.39           C  
-ATOM  19775  C   SER L 198      97.573  21.074  59.270  1.00 17.31           C  
-ATOM  19776  O   SER L 198      97.453  20.237  60.172  1.00 17.09           O  
-ATOM  19777  CB  SER L 198      97.549  23.181  60.657  1.00 17.62           C  
-ATOM  19778  OG  SER L 198      97.230  24.563  60.629  1.00 19.15           O  
-ATOM  19779  N   LEU L 199      98.178  20.830  58.118  1.00 16.78           N  
-ATOM  19780  CA  LEU L 199      98.812  19.565  57.827  1.00 16.93           C  
-ATOM  19781  C   LEU L 199     100.327  19.652  58.091  1.00 16.54           C  
-ATOM  19782  O   LEU L 199     101.043  20.336  57.375  1.00 16.60           O  
-ATOM  19783  CB  LEU L 199      98.516  19.172  56.373  1.00 17.15           C  
-ATOM  19784  CG  LEU L 199      99.208  17.950  55.755  1.00 18.16           C  
-ATOM  19785  CD1 LEU L 199      98.787  16.662  56.449  1.00 18.49           C  
-ATOM  19786  CD2 LEU L 199      98.899  17.883  54.266  1.00 18.72           C  
-ATOM  19787  N   ASN L 200     100.797  18.969  59.132  1.00 16.18           N  
-ATOM  19788  CA  ASN L 200     102.223  18.916  59.470  1.00 15.83           C  
-ATOM  19789  C   ASN L 200     102.782  17.626  58.882  1.00 15.24           C  
-ATOM  19790  O   ASN L 200     102.386  16.520  59.276  1.00 14.97           O  
-ATOM  19791  CB  ASN L 200     102.415  18.999  60.999  1.00 15.82           C  
-ATOM  19792  CG  ASN L 200     103.896  19.058  61.436  1.00 17.31           C  
-ATOM  19793  OD1 ASN L 200     104.232  18.614  62.538  1.00 17.94           O  
-ATOM  19794  ND2 ASN L 200     104.772  19.609  60.589  1.00 18.30           N  
-ATOM  19795  N   PHE L 201     103.679  17.763  57.911  1.00 14.36           N  
-ATOM  19796  CA  PHE L 201     104.162  16.604  57.168  1.00 14.10           C  
-ATOM  19797  C   PHE L 201     105.627  16.781  56.801  1.00 13.42           C  
-ATOM  19798  O   PHE L 201     106.114  17.901  56.797  1.00 13.40           O  
-ATOM  19799  CB  PHE L 201     103.272  16.361  55.913  1.00 14.22           C  
-ATOM  19800  CG  PHE L 201     103.475  17.366  54.812  1.00 15.34           C  
-ATOM  19801  CD1 PHE L 201     102.961  18.658  54.916  1.00 15.64           C  
-ATOM  19802  CD2 PHE L 201     104.208  17.024  53.677  1.00 16.18           C  
-ATOM  19803  CE1 PHE L 201     103.168  19.606  53.900  1.00 16.48           C  
-ATOM  19804  CE2 PHE L 201     104.427  17.950  52.657  1.00 16.41           C  
-ATOM  19805  CZ  PHE L 201     103.911  19.248  52.764  1.00 16.66           C  
-ATOM  19806  N   ARG L 202     106.325  15.685  56.517  1.00 12.96           N  
-ATOM  19807  CA  ARG L 202     107.698  15.757  56.015  1.00 13.00           C  
-ATOM  19808  C   ARG L 202     108.027  14.741  54.931  1.00 12.95           C  
-ATOM  19809  O   ARG L 202     107.297  13.783  54.731  1.00 12.22           O  
-ATOM  19810  CB  ARG L 202     108.699  15.631  57.158  1.00 13.35           C  
-ATOM  19811  CG  ARG L 202     108.828  14.246  57.752  1.00 13.39           C  
-ATOM  19812  CD  ARG L 202     109.517  14.269  59.100  1.00 15.73           C  
-ATOM  19813  NE  ARG L 202     109.550  12.961  59.754  1.00 17.61           N  
-ATOM  19814  CZ  ARG L 202     109.800  12.764  61.054  1.00 18.06           C  
-ATOM  19815  NH1 ARG L 202     110.032  13.793  61.870  1.00 15.84           N  
-ATOM  19816  NH2 ARG L 202     109.806  11.526  61.541  1.00 17.96           N  
-ATOM  19817  N   LYS L 203     109.144  14.960  54.242  1.00 13.64           N  
-ATOM  19818  CA  LYS L 203     109.703  13.962  53.326  1.00 14.63           C  
-ATOM  19819  C   LYS L 203     110.292  12.763  54.095  1.00 14.99           C  
-ATOM  19820  O   LYS L 203     111.178  12.959  54.960  1.00 15.11           O  
-ATOM  19821  CB  LYS L 203     110.764  14.618  52.442  1.00 14.58           C  
-ATOM  19822  CG  LYS L 203     111.394  13.693  51.408  1.00 16.90           C  
-ATOM  19823  CD  LYS L 203     111.919  14.467  50.196  1.00 22.17           C  
-ATOM  19824  CE  LYS L 203     110.981  14.344  48.985  1.00 23.72           C  
-ATOM  19825  NZ  LYS L 203     111.732  13.953  47.744  1.00 25.57           N  
-ATOM  19826  N   LYS L 204     109.842  11.539  53.776  1.00 14.66           N  
-ATOM  19827  CA  LYS L 204     110.228  10.340  54.560  1.00 15.50           C  
-ATOM  19828  C   LYS L 204     111.722  10.062  54.666  1.00 16.24           C  
-ATOM  19829  O   LYS L 204     112.490  10.415  53.765  1.00 16.23           O  
-ATOM  19830  CB  LYS L 204     109.584   9.056  54.026  1.00 15.20           C  
-ATOM  19831  CG  LYS L 204     108.346   8.628  54.763  1.00 14.53           C  
-ATOM  19832  CD  LYS L 204     107.313   8.083  53.810  1.00 12.70           C  
-ATOM  19833  CE  LYS L 204     107.350   6.556  53.736  1.00 13.10           C  
-ATOM  19834  NZ  LYS L 204     106.292   6.099  52.798  1.00 16.15           N  
-ATOM  19835  N   GLY L 205     112.096   9.404  55.776  1.00 16.77           N  
-ATOM  19836  CA  GLY L 205     113.405   8.802  55.983  1.00 17.29           C  
-ATOM  19837  C   GLY L 205     114.583   9.542  55.392  1.00 17.49           C  
-ATOM  19838  O   GLY L 205     114.947   9.286  54.252  1.00 17.78           O  
-TER   19839      GLY L 205                                                      
-ATOM  19840  N   GLU M   0      55.195  38.589  53.513  1.00 21.53           N  
-ATOM  19841  CA  GLU M   0      56.329  37.692  53.900  1.00 22.83           C  
-ATOM  19842  C   GLU M   0      56.624  36.556  52.904  1.00 22.62           C  
-ATOM  19843  O   GLU M   0      55.759  35.764  52.561  1.00 22.83           O  
-ATOM  19844  CB  GLU M   0      56.188  37.143  55.337  1.00 22.44           C  
-ATOM  19845  CG  GLU M   0      56.504  35.653  55.510  1.00 24.22           C  
-ATOM  19846  CD  GLU M   0      57.616  35.369  56.509  1.00 26.63           C  
-ATOM  19847  OE1 GLU M   0      58.808  35.300  56.100  1.00 29.21           O  
-ATOM  19848  OE2 GLU M   0      57.298  35.205  57.714  1.00 28.25           O  
-ATOM  19849  N   PHE M   1      57.868  36.506  52.459  1.00 22.71           N  
-ATOM  19850  CA  PHE M   1      58.379  35.402  51.667  1.00 22.54           C  
-ATOM  19851  C   PHE M   1      59.485  34.773  52.467  1.00 21.84           C  
-ATOM  19852  O   PHE M   1      60.207  35.468  53.169  1.00 22.17           O  
-ATOM  19853  CB  PHE M   1      59.002  35.912  50.371  1.00 22.56           C  
-ATOM  19854  CG  PHE M   1      58.123  36.826  49.587  1.00 24.49           C  
-ATOM  19855  CD1 PHE M   1      57.035  36.321  48.877  1.00 26.23           C  
-ATOM  19856  CD2 PHE M   1      58.394  38.193  49.531  1.00 25.85           C  
-ATOM  19857  CE1 PHE M   1      56.212  37.173  48.121  1.00 28.03           C  
-ATOM  19858  CE2 PHE M   1      57.587  39.054  48.779  1.00 26.94           C  
-ATOM  19859  CZ  PHE M   1      56.495  38.546  48.065  1.00 28.24           C  
-ATOM  19860  N   ASP M   2      59.643  33.466  52.356  1.00 20.96           N  
-ATOM  19861  CA  ASP M   2      60.855  32.837  52.869  1.00 20.30           C  
-ATOM  19862  C   ASP M   2      61.867  32.629  51.739  1.00 19.34           C  
-ATOM  19863  O   ASP M   2      61.579  32.930  50.580  1.00 18.98           O  
-ATOM  19864  CB  ASP M   2      60.538  31.527  53.616  1.00 20.81           C  
-ATOM  19865  CG  ASP M   2      59.896  30.461  52.722  1.00 22.06           C  
-ATOM  19866  OD1 ASP M   2      59.902  30.582  51.466  1.00 22.85           O  
-ATOM  19867  OD2 ASP M   2      59.347  29.447  53.195  1.00 23.96           O  
-ATOM  19868  N   ARG M   3      63.044  32.118  52.072  1.00 18.41           N  
-ATOM  19869  CA  ARG M   3      64.113  31.938  51.095  1.00 17.87           C  
-ATOM  19870  C   ARG M   3      63.666  31.065  49.937  1.00 17.09           C  
-ATOM  19871  O   ARG M   3      63.930  31.367  48.794  1.00 17.31           O  
-ATOM  19872  CB  ARG M   3      65.352  31.338  51.751  1.00 17.94           C  
-ATOM  19873  CG  ARG M   3      66.285  32.370  52.316  1.00 18.73           C  
-ATOM  19874  CD  ARG M   3      67.311  31.827  53.293  1.00 19.37           C  
-ATOM  19875  NE  ARG M   3      68.110  32.918  53.850  1.00 22.32           N  
-ATOM  19876  CZ  ARG M   3      67.900  33.497  55.042  1.00 25.76           C  
-ATOM  19877  NH1 ARG M   3      66.920  33.090  55.850  1.00 27.32           N  
-ATOM  19878  NH2 ARG M   3      68.686  34.497  55.427  1.00 26.23           N  
-ATOM  19879  N   ALA M   4      62.963  29.991  50.245  1.00 16.34           N  
-ATOM  19880  CA  ALA M   4      62.389  29.135  49.218  1.00 15.99           C  
-ATOM  19881  C   ALA M   4      61.520  29.901  48.211  1.00 15.73           C  
-ATOM  19882  O   ALA M   4      61.649  29.691  46.993  1.00 15.23           O  
-ATOM  19883  CB  ALA M   4      61.590  27.989  49.864  1.00 15.46           C  
-ATOM  19884  N   ASP M   5      60.630  30.764  48.709  1.00 15.84           N  
-ATOM  19885  CA  ASP M   5      59.745  31.563  47.842  1.00 16.52           C  
-ATOM  19886  C   ASP M   5      60.548  32.521  46.970  1.00 15.69           C  
-ATOM  19887  O   ASP M   5      60.370  32.566  45.765  1.00 15.76           O  
-ATOM  19888  CB  ASP M   5      58.724  32.366  48.659  1.00 17.26           C  
-ATOM  19889  CG  ASP M   5      57.776  31.491  49.431  1.00 20.86           C  
-ATOM  19890  OD1 ASP M   5      57.497  30.364  48.968  1.00 24.18           O  
-ATOM  19891  OD2 ASP M   5      57.243  31.849  50.516  1.00 25.45           O  
-ATOM  19892  N   ILE M   6      61.449  33.275  47.580  1.00 15.27           N  
-ATOM  19893  CA  ILE M   6      62.319  34.189  46.829  1.00 14.66           C  
-ATOM  19894  C   ILE M   6      63.072  33.458  45.715  1.00 14.77           C  
-ATOM  19895  O   ILE M   6      63.135  33.929  44.568  1.00 13.86           O  
-ATOM  19896  CB  ILE M   6      63.318  34.929  47.774  1.00 14.63           C  
-ATOM  19897  CG1 ILE M   6      62.583  35.786  48.801  1.00 14.00           C  
-ATOM  19898  CG2 ILE M   6      64.313  35.778  46.976  1.00 13.90           C  
-ATOM  19899  CD1 ILE M   6      63.404  36.100  50.047  1.00 13.08           C  
-ATOM  19900  N   LEU M   7      63.641  32.304  46.045  1.00 14.89           N  
-ATOM  19901  CA  LEU M   7      64.436  31.586  45.066  1.00 15.73           C  
-ATOM  19902  C   LEU M   7      63.569  30.976  43.955  1.00 15.73           C  
-ATOM  19903  O   LEU M   7      63.951  30.980  42.769  1.00 14.90           O  
-ATOM  19904  CB  LEU M   7      65.332  30.556  45.756  1.00 16.10           C  
-ATOM  19905  CG  LEU M   7      66.508  31.228  46.468  1.00 17.40           C  
-ATOM  19906  CD1 LEU M   7      66.994  30.368  47.597  1.00 19.07           C  
-ATOM  19907  CD2 LEU M   7      67.636  31.507  45.497  1.00 19.08           C  
-ATOM  19908  N   TYR M   8      62.403  30.476  44.336  1.00 15.82           N  
-ATOM  19909  CA  TYR M   8      61.435  29.977  43.371  1.00 16.76           C  
-ATOM  19910  C   TYR M   8      61.031  31.088  42.403  1.00 16.55           C  
-ATOM  19911  O   TYR M   8      61.058  30.900  41.173  1.00 16.05           O  
-ATOM  19912  CB  TYR M   8      60.213  29.427  44.109  1.00 17.61           C  
-ATOM  19913  CG  TYR M   8      59.100  28.926  43.231  1.00 21.01           C  
-ATOM  19914  CD1 TYR M   8      59.216  27.708  42.548  1.00 24.33           C  
-ATOM  19915  CD2 TYR M   8      57.919  29.665  43.083  1.00 23.18           C  
-ATOM  19916  CE1 TYR M   8      58.164  27.229  41.742  1.00 26.13           C  
-ATOM  19917  CE2 TYR M   8      56.859  29.198  42.281  1.00 25.48           C  
-ATOM  19918  CZ  TYR M   8      56.995  27.986  41.609  1.00 26.82           C  
-ATOM  19919  OH  TYR M   8      55.956  27.529  40.822  1.00 28.53           O  
-ATOM  19920  N   ASN M   9      60.651  32.243  42.948  1.00 16.16           N  
-ATOM  19921  CA  ASN M   9      60.196  33.330  42.117  1.00 16.54           C  
-ATOM  19922  C   ASN M   9      61.298  33.803  41.142  1.00 16.31           C  
-ATOM  19923  O   ASN M   9      61.032  34.008  39.961  1.00 15.27           O  
-ATOM  19924  CB  ASN M   9      59.672  34.489  42.970  1.00 16.81           C  
-ATOM  19925  CG  ASN M   9      58.350  34.163  43.679  1.00 18.53           C  
-ATOM  19926  OD1 ASN M   9      57.650  33.197  43.351  1.00 19.49           O  
-ATOM  19927  ND2 ASN M   9      58.015  34.977  44.665  1.00 17.96           N  
-ATOM  19928  N   ILE M  10      62.532  33.924  41.642  1.00 16.25           N  
-ATOM  19929  CA  ILE M  10      63.680  34.211  40.791  1.00 16.31           C  
-ATOM  19930  C   ILE M  10      63.895  33.164  39.713  1.00 17.00           C  
-ATOM  19931  O   ILE M  10      64.120  33.526  38.561  1.00 16.40           O  
-ATOM  19932  CB  ILE M  10      64.978  34.398  41.629  1.00 16.73           C  
-ATOM  19933  CG1 ILE M  10      64.914  35.731  42.396  1.00 15.63           C  
-ATOM  19934  CG2 ILE M  10      66.242  34.313  40.717  1.00 15.66           C  
-ATOM  19935  CD1 ILE M  10      65.949  35.858  43.493  1.00 13.88           C  
-ATOM  19936  N   ARG M  11      63.854  31.880  40.057  1.00 17.27           N  
-ATOM  19937  CA  ARG M  11      64.068  30.833  39.048  1.00 18.90           C  
-ATOM  19938  C   ARG M  11      62.921  30.790  38.019  1.00 18.92           C  
-ATOM  19939  O   ARG M  11      63.143  30.543  36.849  1.00 18.89           O  
-ATOM  19940  CB  ARG M  11      64.264  29.456  39.692  1.00 19.52           C  
-ATOM  19941  CG  ARG M  11      64.713  28.349  38.716  1.00 24.79           C  
-ATOM  19942  CD  ARG M  11      64.990  27.003  39.402  1.00 35.51           C  
-ATOM  19943  NE  ARG M  11      65.433  25.974  38.452  1.00 42.85           N  
-ATOM  19944  CZ  ARG M  11      64.628  25.070  37.864  1.00 47.15           C  
-ATOM  19945  NH1 ARG M  11      63.313  25.050  38.114  1.00 47.61           N  
-ATOM  19946  NH2 ARG M  11      65.144  24.178  37.023  1.00 47.93           N  
-ATOM  19947  N   GLN M  12      61.694  31.040  38.461  1.00 18.95           N  
-ATOM  19948  CA  GLN M  12      60.555  30.951  37.570  1.00 19.14           C  
-ATOM  19949  C   GLN M  12      60.485  32.099  36.568  1.00 18.83           C  
-ATOM  19950  O   GLN M  12      59.896  31.938  35.492  1.00 17.95           O  
-ATOM  19951  CB  GLN M  12      59.257  30.833  38.373  1.00 19.34           C  
-ATOM  19952  CG  GLN M  12      59.084  29.498  39.051  1.00 22.71           C  
-ATOM  19953  CD  GLN M  12      59.548  28.331  38.183  1.00 26.90           C  
-ATOM  19954  OE1 GLN M  12      58.847  27.918  37.261  1.00 27.80           O  
-ATOM  19955  NE2 GLN M  12      60.734  27.821  38.464  1.00 26.47           N  
-ATOM  19956  N   THR M  13      61.110  33.231  36.905  1.00 19.12           N  
-ATOM  19957  CA  THR M  13      61.058  34.461  36.080  1.00 19.40           C  
-ATOM  19958  C   THR M  13      62.428  35.059  35.662  1.00 21.51           C  
-ATOM  19959  O   THR M  13      62.473  36.095  34.988  1.00 22.73           O  
-ATOM  19960  CB  THR M  13      60.236  35.566  36.779  1.00 19.33           C  
-ATOM  19961  OG1 THR M  13      60.899  35.954  37.988  1.00 17.21           O  
-ATOM  19962  CG2 THR M  13      58.845  35.072  37.261  1.00 15.59           C  
-ATOM  19963  N   SER M  14      63.529  34.451  36.094  1.00 22.93           N  
-ATOM  19964  CA  SER M  14      64.879  34.814  35.635  1.00 25.30           C  
-ATOM  19965  C   SER M  14      64.860  34.847  34.146  1.00 24.97           C  
-ATOM  19966  O   SER M  14      64.508  33.826  33.533  1.00 26.11           O  
-ATOM  19967  CB  SER M  14      65.893  33.709  35.984  1.00 26.15           C  
-ATOM  19968  OG  SER M  14      65.464  32.428  35.457  1.00 26.98           O  
-ATOM  19969  N   ARG M  15      65.205  35.984  33.548  1.00 22.90           N  
-ATOM  19970  CA  ARG M  15      65.423  35.943  32.107  1.00 21.69           C  
-ATOM  19971  C   ARG M  15      66.927  36.141  31.947  1.00 21.36           C  
-ATOM  19972  O   ARG M  15      67.385  37.286  31.727  1.00 19.71           O  
-ATOM  19973  CB  ARG M  15      64.621  37.009  31.375  1.00 21.96           C  
-ATOM  19974  CG  ARG M  15      63.110  36.768  31.302  1.00 21.50           C  
-ATOM  19975  CD  ARG M  15      62.682  35.626  30.383  1.00 22.92           C  
-ATOM  19976  NE  ARG M  15      63.329  35.651  29.075  1.00 23.30           N  
-ATOM  19977  CZ  ARG M  15      62.916  36.369  28.019  1.00 22.74           C  
-ATOM  19978  NH1 ARG M  15      61.838  37.134  28.081  1.00 25.11           N  
-ATOM  19979  NH2 ARG M  15      63.590  36.309  26.884  1.00 19.62           N  
-ATOM  19980  N   PRO M  16      67.665  35.028  32.115  1.00 20.68           N  
-ATOM  19981  CA  PRO M  16      69.138  35.017  32.141  1.00 21.39           C  
-ATOM  19982  C   PRO M  16      69.795  35.524  30.864  1.00 22.02           C  
-ATOM  19983  O   PRO M  16      70.940  36.033  30.921  1.00 23.49           O  
-ATOM  19984  CB  PRO M  16      69.517  33.525  32.359  1.00 20.59           C  
-ATOM  19985  CG  PRO M  16      68.218  32.701  32.221  1.00 20.30           C  
-ATOM  19986  CD  PRO M  16      67.091  33.671  32.328  1.00 21.55           C  
-ATOM  19987  N   ASP M  17      69.090  35.365  29.752  1.00 21.40           N  
-ATOM  19988  CA  ASP M  17      69.560  35.758  28.422  1.00 22.08           C  
-ATOM  19989  C   ASP M  17      69.281  37.240  28.175  1.00 19.79           C  
-ATOM  19990  O   ASP M  17      69.727  37.786  27.177  1.00 19.55           O  
-ATOM  19991  CB  ASP M  17      68.787  34.950  27.360  1.00 22.24           C  
-ATOM  19992  CG  ASP M  17      67.222  35.041  27.566  1.00 29.45           C  
-ATOM  19993  OD1 ASP M  17      66.775  35.185  28.746  1.00 33.59           O  
-ATOM  19994  OD2 ASP M  17      66.352  34.944  26.644  1.00 32.69           O  
-ATOM  19995  N   VAL M  18      68.525  37.880  29.070  1.00 17.76           N  
-ATOM  19996  CA  VAL M  18      68.078  39.245  28.859  1.00 17.50           C  
-ATOM  19997  C   VAL M  18      68.830  40.292  29.706  1.00 17.62           C  
-ATOM  19998  O   VAL M  18      68.745  40.316  30.937  1.00 17.04           O  
-ATOM  19999  CB  VAL M  18      66.555  39.377  29.099  1.00 17.58           C  
-ATOM  20000  CG1 VAL M  18      66.085  40.808  28.803  1.00 17.31           C  
-ATOM  20001  CG2 VAL M  18      65.790  38.357  28.290  1.00 16.20           C  
-ATOM  20002  N   ILE M  19      69.543  41.184  29.030  1.00 17.90           N  
-ATOM  20003  CA  ILE M  19      70.312  42.218  29.723  1.00 18.26           C  
-ATOM  20004  C   ILE M  19      69.346  43.175  30.417  1.00 19.03           C  
-ATOM  20005  O   ILE M  19      68.426  43.678  29.772  1.00 19.18           O  
-ATOM  20006  CB  ILE M  19      71.277  42.928  28.742  1.00 17.89           C  
-ATOM  20007  CG1 ILE M  19      72.080  43.992  29.472  1.00 17.47           C  
-ATOM  20008  CG2 ILE M  19      70.519  43.482  27.560  1.00 16.97           C  
-ATOM  20009  CD1 ILE M  19      73.137  44.749  28.592  1.00 16.47           C  
-ATOM  20010  N   PRO M  20      69.504  43.394  31.727  1.00 20.10           N  
-ATOM  20011  CA  PRO M  20      68.509  44.143  32.516  1.00 21.24           C  
-ATOM  20012  C   PRO M  20      68.652  45.620  32.328  1.00 22.89           C  
-ATOM  20013  O   PRO M  20      68.828  46.397  33.283  1.00 22.76           O  
-ATOM  20014  CB  PRO M  20      68.845  43.764  33.965  1.00 20.93           C  
-ATOM  20015  CG  PRO M  20      70.334  43.450  33.954  1.00 20.48           C  
-ATOM  20016  CD  PRO M  20      70.616  42.918  32.573  1.00 20.46           C  
-ATOM  20017  N   THR M  21      68.572  46.001  31.067  1.00 24.86           N  
-ATOM  20018  CA  THR M  21      68.551  47.394  30.654  1.00 27.36           C  
-ATOM  20019  C   THR M  21      67.268  48.047  31.212  1.00 28.93           C  
-ATOM  20020  O   THR M  21      66.172  47.507  31.064  1.00 29.20           O  
-ATOM  20021  CB  THR M  21      68.662  47.420  29.108  1.00 27.12           C  
-ATOM  20022  OG1 THR M  21      69.993  47.822  28.740  1.00 28.70           O  
-ATOM  20023  CG2 THR M  21      67.782  48.449  28.485  1.00 28.71           C  
-ATOM  20024  N   GLN M  22      67.417  49.160  31.923  1.00 30.49           N  
-ATOM  20025  CA  GLN M  22      66.274  49.896  32.445  1.00 32.55           C  
-ATOM  20026  C   GLN M  22      66.304  51.349  31.911  1.00 33.14           C  
-ATOM  20027  O   GLN M  22      67.326  52.028  32.021  1.00 32.91           O  
-ATOM  20028  CB  GLN M  22      66.245  49.868  33.995  1.00 33.29           C  
-ATOM  20029  CG  GLN M  22      67.642  49.848  34.709  1.00 35.13           C  
-ATOM  20030  CD  GLN M  22      67.697  50.655  36.036  1.00 39.44           C  
-ATOM  20031  OE1 GLN M  22      67.003  51.676  36.192  1.00 39.75           O  
-ATOM  20032  NE2 GLN M  22      68.521  50.191  36.986  1.00 38.38           N  
-ATOM  20033  N   ARG M  23      65.190  51.784  31.313  1.00 33.70           N  
-ATOM  20034  CA  ARG M  23      65.015  53.134  30.730  1.00 34.36           C  
-ATOM  20035  C   ARG M  23      66.054  53.556  29.662  1.00 34.44           C  
-ATOM  20036  O   ARG M  23      66.515  54.717  29.651  1.00 34.34           O  
-ATOM  20037  CB  ARG M  23      64.857  54.211  31.830  1.00 34.46           C  
-ATOM  20038  CG  ARG M  23      63.616  55.081  31.669  1.00 36.35           C  
-ATOM  20039  CD  ARG M  23      62.900  55.468  32.980  1.00 40.24           C  
-ATOM  20040  NE  ARG M  23      61.592  54.810  33.114  1.00 41.53           N  
-ATOM  20041  CZ  ARG M  23      60.420  55.402  32.902  1.00 42.83           C  
-ATOM  20042  NH1 ARG M  23      60.355  56.683  32.554  1.00 43.56           N  
-ATOM  20043  NH2 ARG M  23      59.299  54.714  33.040  1.00 43.32           N  
-ATOM  20044  N   ASP M  24      66.418  52.629  28.764  1.00 34.00           N  
-ATOM  20045  CA  ASP M  24      67.315  52.947  27.636  1.00 33.64           C  
-ATOM  20046  C   ASP M  24      68.735  53.347  28.067  1.00 31.93           C  
-ATOM  20047  O   ASP M  24      69.487  53.926  27.275  1.00 31.83           O  
-ATOM  20048  CB  ASP M  24      66.723  54.082  26.750  1.00 34.30           C  
-ATOM  20049  CG  ASP M  24      65.622  53.590  25.813  1.00 37.50           C  
-ATOM  20050  OD1 ASP M  24      65.814  52.504  25.201  1.00 40.82           O  
-ATOM  20051  OD2 ASP M  24      64.538  54.214  25.632  1.00 38.11           O  
-ATOM  20052  N   ARG M  25      69.066  53.078  29.330  1.00 29.79           N  
-ATOM  20053  CA  ARG M  25      70.393  53.317  29.896  1.00 27.39           C  
-ATOM  20054  C   ARG M  25      71.257  52.058  29.782  1.00 25.02           C  
-ATOM  20055  O   ARG M  25      70.718  50.941  29.728  1.00 24.20           O  
-ATOM  20056  CB  ARG M  25      70.250  53.687  31.374  1.00 28.47           C  
-ATOM  20057  CG  ARG M  25      69.895  55.143  31.653  1.00 30.22           C  
-ATOM  20058  CD  ARG M  25      69.628  55.419  33.129  1.00 36.28           C  
-ATOM  20059  NE  ARG M  25      69.824  56.833  33.465  1.00 41.79           N  
-ATOM  20060  CZ  ARG M  25      71.011  57.391  33.769  1.00 42.97           C  
-ATOM  20061  NH1 ARG M  25      72.128  56.654  33.797  1.00 42.45           N  
-ATOM  20062  NH2 ARG M  25      71.073  58.690  34.064  1.00 42.52           N  
-ATOM  20063  N   PRO M  26      72.582  52.203  29.740  1.00 22.74           N  
-ATOM  20064  CA  PRO M  26      73.467  51.024  29.887  1.00 21.08           C  
-ATOM  20065  C   PRO M  26      73.386  50.409  31.297  1.00 19.87           C  
-ATOM  20066  O   PRO M  26      73.141  51.104  32.276  1.00 19.15           O  
-ATOM  20067  CB  PRO M  26      74.877  51.584  29.614  1.00 21.02           C  
-ATOM  20068  CG  PRO M  26      74.748  53.094  29.786  1.00 21.57           C  
-ATOM  20069  CD  PRO M  26      73.329  53.449  29.497  1.00 22.27           C  
-ATOM  20070  N   VAL M  27      73.583  49.104  31.389  1.00 18.41           N  
-ATOM  20071  CA  VAL M  27      73.766  48.441  32.687  1.00 17.78           C  
-ATOM  20072  C   VAL M  27      75.135  48.822  33.227  1.00 17.20           C  
-ATOM  20073  O   VAL M  27      76.165  48.528  32.607  1.00 16.59           O  
-ATOM  20074  CB  VAL M  27      73.635  46.908  32.562  1.00 17.74           C  
-ATOM  20075  CG1 VAL M  27      73.995  46.194  33.901  1.00 17.75           C  
-ATOM  20076  CG2 VAL M  27      72.237  46.523  32.105  1.00 17.64           C  
-ATOM  20077  N   ALA M  28      75.151  49.518  34.365  1.00 16.70           N  
-ATOM  20078  CA  ALA M  28      76.416  49.923  34.980  1.00 16.19           C  
-ATOM  20079  C   ALA M  28      77.046  48.731  35.704  1.00 16.00           C  
-ATOM  20080  O   ALA M  28      76.512  48.263  36.713  1.00 15.74           O  
-ATOM  20081  CB  ALA M  28      76.232  51.144  35.952  1.00 15.67           C  
-ATOM  20082  N   VAL M  29      78.174  48.251  35.195  1.00 15.61           N  
-ATOM  20083  CA  VAL M  29      78.819  47.109  35.818  1.00 16.41           C  
-ATOM  20084  C   VAL M  29      80.112  47.559  36.467  1.00 17.19           C  
-ATOM  20085  O   VAL M  29      80.912  48.223  35.828  1.00 17.06           O  
-ATOM  20086  CB  VAL M  29      79.123  46.012  34.795  1.00 16.07           C  
-ATOM  20087  CG1 VAL M  29      79.938  44.876  35.446  1.00 14.90           C  
-ATOM  20088  CG2 VAL M  29      77.828  45.500  34.121  1.00 15.57           C  
-ATOM  20089  N   SER M  30      80.323  47.175  37.722  1.00 17.77           N  
-ATOM  20090  CA  SER M  30      81.574  47.486  38.399  1.00 19.03           C  
-ATOM  20091  C   SER M  30      82.406  46.245  38.505  1.00 19.43           C  
-ATOM  20092  O   SER M  30      81.871  45.196  38.894  1.00 19.68           O  
-ATOM  20093  CB  SER M  30      81.320  48.032  39.801  1.00 18.72           C  
-ATOM  20094  OG  SER M  30      80.545  49.185  39.708  1.00 20.99           O  
-ATOM  20095  N   VAL M  31      83.684  46.356  38.131  1.00 19.77           N  
-ATOM  20096  CA  VAL M  31      84.630  45.239  38.205  1.00 21.08           C  
-ATOM  20097  C   VAL M  31      85.879  45.656  38.951  1.00 21.39           C  
-ATOM  20098  O   VAL M  31      86.398  46.786  38.823  1.00 21.38           O  
-ATOM  20099  CB  VAL M  31      85.147  44.734  36.841  1.00 21.64           C  
-ATOM  20100  CG1 VAL M  31      85.535  43.239  36.942  1.00 21.41           C  
-ATOM  20101  CG2 VAL M  31      84.180  45.017  35.731  1.00 22.17           C  
-ATOM  20102  N   SER M  32      86.374  44.711  39.724  1.00 21.71           N  
-ATOM  20103  CA  SER M  32      87.563  44.933  40.493  1.00 22.96           C  
-ATOM  20104  C   SER M  32      88.191  43.557  40.681  1.00 22.59           C  
-ATOM  20105  O   SER M  32      87.490  42.609  40.994  1.00 22.62           O  
-ATOM  20106  CB  SER M  32      87.169  45.554  41.823  1.00 22.56           C  
-ATOM  20107  OG  SER M  32      88.252  45.538  42.685  1.00 27.25           O  
-ATOM  20108  N   LEU M  33      89.502  43.466  40.471  1.00 22.48           N  
-ATOM  20109  CA  LEU M  33      90.234  42.206  40.630  1.00 21.76           C  
-ATOM  20110  C   LEU M  33      90.984  42.278  41.927  1.00 21.67           C  
-ATOM  20111  O   LEU M  33      91.730  43.238  42.162  1.00 21.68           O  
-ATOM  20112  CB  LEU M  33      91.210  41.986  39.473  1.00 21.33           C  
-ATOM  20113  CG  LEU M  33      90.677  41.994  38.026  1.00 21.44           C  
-ATOM  20114  CD1 LEU M  33      91.756  41.521  37.069  1.00 19.52           C  
-ATOM  20115  CD2 LEU M  33      89.406  41.180  37.844  1.00 20.69           C  
-ATOM  20116  N   LYS M  34      90.748  41.288  42.788  1.00 21.27           N  
-ATOM  20117  CA  LYS M  34      91.492  41.169  44.038  1.00 20.49           C  
-ATOM  20118  C   LYS M  34      92.454  40.022  43.831  1.00 19.82           C  
-ATOM  20119  O   LYS M  34      92.028  38.872  43.741  1.00 19.16           O  
-ATOM  20120  CB  LYS M  34      90.568  40.846  45.211  1.00 21.28           C  
-ATOM  20121  CG  LYS M  34      89.300  41.669  45.277  1.00 23.30           C  
-ATOM  20122  CD  LYS M  34      89.598  43.060  45.797  1.00 27.35           C  
-ATOM  20123  CE  LYS M  34      88.415  43.969  45.501  1.00 30.36           C  
-ATOM  20124  NZ  LYS M  34      88.683  45.393  45.918  1.00 33.40           N  
-ATOM  20125  N   PHE M  35      93.737  40.352  43.749  1.00 18.28           N  
-ATOM  20126  CA  PHE M  35      94.759  39.361  43.471  1.00 17.45           C  
-ATOM  20127  C   PHE M  35      95.056  38.506  44.694  1.00 16.97           C  
-ATOM  20128  O   PHE M  35      95.273  39.021  45.802  1.00 16.54           O  
-ATOM  20129  CB  PHE M  35      96.000  40.032  42.872  1.00 17.28           C  
-ATOM  20130  CG  PHE M  35      95.748  40.638  41.523  1.00 17.16           C  
-ATOM  20131  CD1 PHE M  35      95.748  39.837  40.390  1.00 18.00           C  
-ATOM  20132  CD2 PHE M  35      95.461  41.991  41.392  1.00 18.32           C  
-ATOM  20133  CE1 PHE M  35      95.507  40.348  39.141  1.00 18.78           C  
-ATOM  20134  CE2 PHE M  35      95.206  42.552  40.116  1.00 17.99           C  
-ATOM  20135  CZ  PHE M  35      95.236  41.726  38.991  1.00 18.32           C  
-ATOM  20136  N   ILE M  36      94.990  37.189  44.495  1.00 16.48           N  
-ATOM  20137  CA  ILE M  36      95.284  36.233  45.568  1.00 16.12           C  
-ATOM  20138  C   ILE M  36      96.691  35.645  45.427  1.00 16.54           C  
-ATOM  20139  O   ILE M  36      97.387  35.437  46.424  1.00 16.33           O  
-ATOM  20140  CB  ILE M  36      94.218  35.105  45.582  1.00 16.10           C  
-ATOM  20141  CG1 ILE M  36      92.808  35.695  45.458  1.00 16.00           C  
-ATOM  20142  CG2 ILE M  36      94.308  34.275  46.890  1.00 15.19           C  
-ATOM  20143  CD1 ILE M  36      92.468  36.850  46.480  1.00 14.16           C  
-ATOM  20144  N   ASN M  37      97.088  35.353  44.188  1.00 17.14           N  
-ATOM  20145  CA  ASN M  37      98.349  34.670  43.917  1.00 18.38           C  
-ATOM  20146  C   ASN M  37      98.842  34.892  42.502  1.00 18.66           C  
-ATOM  20147  O   ASN M  37      98.057  35.059  41.574  1.00 18.96           O  
-ATOM  20148  CB  ASN M  37      98.261  33.156  44.218  1.00 17.75           C  
-ATOM  20149  CG  ASN M  37      99.445  32.659  45.036  1.00 19.91           C  
-ATOM  20150  OD1 ASN M  37     100.624  32.970  44.727  1.00 19.11           O  
-ATOM  20151  ND2 ASN M  37      99.148  31.912  46.104  1.00 16.60           N  
-ATOM  20152  N   ILE M  38     100.155  34.907  42.360  1.00 19.27           N  
-ATOM  20153  CA  ILE M  38     100.812  34.857  41.063  1.00 19.58           C  
-ATOM  20154  C   ILE M  38     101.607  33.579  41.091  1.00 20.26           C  
-ATOM  20155  O   ILE M  38     102.498  33.441  41.914  1.00 20.30           O  
-ATOM  20156  CB  ILE M  38     101.702  36.098  40.891  1.00 19.73           C  
-ATOM  20157  CG1 ILE M  38     100.840  37.354  40.962  1.00 19.55           C  
-ATOM  20158  CG2 ILE M  38     102.473  36.046  39.597  1.00 19.18           C  
-ATOM  20159  CD1 ILE M  38     101.574  38.583  41.380  1.00 19.93           C  
-ATOM  20160  N   LEU M  39     101.254  32.637  40.213  1.00 21.28           N  
-ATOM  20161  CA  LEU M  39     101.730  31.253  40.314  1.00 21.85           C  
-ATOM  20162  C   LEU M  39     102.915  30.971  39.421  1.00 22.60           C  
-ATOM  20163  O   LEU M  39     103.765  30.118  39.739  1.00 23.16           O  
-ATOM  20164  CB  LEU M  39     100.602  30.275  39.960  1.00 21.52           C  
-ATOM  20165  CG  LEU M  39      99.380  30.483  40.851  1.00 22.98           C  
-ATOM  20166  CD1 LEU M  39      98.224  29.690  40.335  1.00 23.58           C  
-ATOM  20167  CD2 LEU M  39      99.674  30.185  42.356  1.00 23.01           C  
-ATOM  20168  N   GLU M  40     102.950  31.639  38.277  1.00 22.54           N  
-ATOM  20169  CA  GLU M  40     104.024  31.407  37.332  1.00 23.17           C  
-ATOM  20170  C   GLU M  40     104.190  32.666  36.503  1.00 22.27           C  
-ATOM  20171  O   GLU M  40     103.216  33.325  36.161  1.00 22.56           O  
-ATOM  20172  CB  GLU M  40     103.717  30.194  36.452  1.00 23.55           C  
-ATOM  20173  CG  GLU M  40     104.838  29.824  35.485  1.00 27.21           C  
-ATOM  20174  CD  GLU M  40     104.500  28.627  34.590  1.00 31.96           C  
-ATOM  20175  OE1 GLU M  40     103.314  28.453  34.192  1.00 32.92           O  
-ATOM  20176  OE2 GLU M  40     105.443  27.858  34.280  1.00 33.60           O  
-ATOM  20177  N   VAL M  41     105.438  32.984  36.214  1.00 21.19           N  
-ATOM  20178  CA  VAL M  41     105.789  34.147  35.450  1.00 20.80           C  
-ATOM  20179  C   VAL M  41     106.885  33.683  34.497  1.00 20.39           C  
-ATOM  20180  O   VAL M  41     107.711  32.856  34.881  1.00 19.95           O  
-ATOM  20181  CB  VAL M  41     106.244  35.261  36.429  1.00 21.00           C  
-ATOM  20182  CG1 VAL M  41     107.284  36.140  35.841  1.00 21.02           C  
-ATOM  20183  CG2 VAL M  41     105.049  36.092  36.895  1.00 20.48           C  
-ATOM  20184  N   ASN M  42     106.852  34.166  33.256  1.00 20.21           N  
-ATOM  20185  CA  ASN M  42     107.844  33.831  32.245  1.00 20.50           C  
-ATOM  20186  C   ASN M  42     108.288  35.083  31.513  1.00 20.87           C  
-ATOM  20187  O   ASN M  42     107.557  35.630  30.683  1.00 20.53           O  
-ATOM  20188  CB  ASN M  42     107.295  32.814  31.240  1.00 20.56           C  
-ATOM  20189  CG  ASN M  42     108.386  32.183  30.366  1.00 20.91           C  
-ATOM  20190  OD1 ASN M  42     109.313  32.857  29.901  1.00 21.72           O  
-ATOM  20191  ND2 ASN M  42     108.256  30.881  30.115  1.00 19.51           N  
-ATOM  20192  N   GLU M  43     109.500  35.529  31.831  1.00 21.33           N  
-ATOM  20193  CA  GLU M  43     109.997  36.780  31.313  1.00 22.07           C  
-ATOM  20194  C   GLU M  43     110.402  36.675  29.828  1.00 22.03           C  
-ATOM  20195  O   GLU M  43     110.433  37.691  29.124  1.00 21.81           O  
-ATOM  20196  CB  GLU M  43     111.129  37.326  32.203  1.00 22.35           C  
-ATOM  20197  CG  GLU M  43     111.194  38.856  32.226  1.00 24.36           C  
-ATOM  20198  CD  GLU M  43     112.371  39.420  33.013  1.00 27.27           C  
-ATOM  20199  OE1 GLU M  43     112.766  38.791  34.020  1.00 28.54           O  
-ATOM  20200  OE2 GLU M  43     112.879  40.505  32.634  1.00 27.22           O  
-ATOM  20201  N   ILE M  44     110.684  35.451  29.366  1.00 21.96           N  
-ATOM  20202  CA  ILE M  44     110.944  35.195  27.942  1.00 22.07           C  
-ATOM  20203  C   ILE M  44     109.663  35.296  27.111  1.00 21.54           C  
-ATOM  20204  O   ILE M  44     109.607  36.046  26.140  1.00 21.71           O  
-ATOM  20205  CB  ILE M  44     111.648  33.809  27.731  1.00 22.49           C  
-ATOM  20206  CG1 ILE M  44     112.906  33.666  28.606  1.00 23.04           C  
-ATOM  20207  CG2 ILE M  44     111.978  33.561  26.246  1.00 22.61           C  
-ATOM  20208  CD1 ILE M  44     113.981  34.733  28.373  1.00 24.34           C  
-ATOM  20209  N   THR M  45     108.625  34.570  27.515  1.00 20.99           N  
-ATOM  20210  CA  THR M  45     107.382  34.539  26.742  1.00 20.43           C  
-ATOM  20211  C   THR M  45     106.406  35.692  27.075  1.00 19.95           C  
-ATOM  20212  O   THR M  45     105.447  35.898  26.348  1.00 19.93           O  
-ATOM  20213  CB  THR M  45     106.676  33.168  26.846  1.00 20.28           C  
-ATOM  20214  OG1 THR M  45     106.266  32.948  28.195  1.00 20.93           O  
-ATOM  20215  CG2 THR M  45     107.642  32.000  26.594  1.00 20.34           C  
-ATOM  20216  N   ASN M  46     106.683  36.456  28.139  1.00 19.43           N  
-ATOM  20217  CA  ASN M  46     105.758  37.497  28.617  1.00 18.78           C  
-ATOM  20218  C   ASN M  46     104.376  36.940  28.946  1.00 18.61           C  
-ATOM  20219  O   ASN M  46     103.364  37.404  28.419  1.00 18.23           O  
-ATOM  20220  CB  ASN M  46     105.653  38.648  27.597  1.00 18.45           C  
-ATOM  20221  CG  ASN M  46     106.688  39.719  27.821  1.00 18.24           C  
-ATOM  20222  OD1 ASN M  46     107.098  39.986  28.956  1.00 17.41           O  
-ATOM  20223  ND2 ASN M  46     107.111  40.354  26.742  1.00 15.56           N  
-ATOM  20224  N   GLU M  47     104.356  35.905  29.785  1.00 18.88           N  
-ATOM  20225  CA  GLU M  47     103.147  35.245  30.192  1.00 19.32           C  
-ATOM  20226  C   GLU M  47     103.130  35.140  31.706  1.00 19.58           C  
-ATOM  20227  O   GLU M  47     104.177  34.972  32.336  1.00 19.61           O  
-ATOM  20228  CB  GLU M  47     103.039  33.860  29.535  1.00 19.67           C  
-ATOM  20229  CG  GLU M  47     102.756  33.923  28.027  1.00 21.71           C  
-ATOM  20230  CD  GLU M  47     102.849  32.566  27.309  1.00 25.84           C  
-ATOM  20231  OE1 GLU M  47     102.592  31.513  27.938  1.00 28.05           O  
-ATOM  20232  OE2 GLU M  47     103.160  32.544  26.097  1.00 28.04           O  
-ATOM  20233  N   VAL M  48     101.938  35.246  32.291  1.00 19.58           N  
-ATOM  20234  CA  VAL M  48     101.741  35.122  33.728  1.00 20.03           C  
-ATOM  20235  C   VAL M  48     100.487  34.289  34.035  1.00 20.20           C  
-ATOM  20236  O   VAL M  48      99.483  34.347  33.327  1.00 19.33           O  
-ATOM  20237  CB  VAL M  48     101.633  36.517  34.452  1.00 19.96           C  
-ATOM  20238  CG1 VAL M  48     102.820  37.383  34.143  1.00 20.64           C  
-ATOM  20239  CG2 VAL M  48     100.383  37.240  34.079  1.00 20.53           C  
-ATOM  20240  N   ASP M  49     100.578  33.537  35.124  1.00 20.85           N  
-ATOM  20241  CA  ASP M  49      99.511  32.663  35.604  1.00 21.54           C  
-ATOM  20242  C   ASP M  49      99.073  33.271  36.942  1.00 21.10           C  
-ATOM  20243  O   ASP M  49      99.896  33.450  37.845  1.00 20.51           O  
-ATOM  20244  CB  ASP M  49     100.082  31.251  35.785  1.00 22.38           C  
-ATOM  20245  CG  ASP M  49      99.018  30.160  35.820  1.00 25.12           C  
-ATOM  20246  OD1 ASP M  49      97.799  30.446  35.984  1.00 28.80           O  
-ATOM  20247  OD2 ASP M  49      99.339  28.960  35.703  1.00 28.89           O  
-ATOM  20248  N   VAL M  50      97.796  33.622  37.060  1.00 20.62           N  
-ATOM  20249  CA  VAL M  50      97.338  34.402  38.215  1.00 20.44           C  
-ATOM  20250  C   VAL M  50      96.007  33.869  38.785  1.00 19.65           C  
-ATOM  20251  O   VAL M  50      95.160  33.345  38.054  1.00 19.23           O  
-ATOM  20252  CB  VAL M  50      97.150  35.907  37.814  1.00 21.03           C  
-ATOM  20253  CG1 VAL M  50      96.613  36.701  38.984  1.00 22.73           C  
-ATOM  20254  CG2 VAL M  50      98.474  36.540  37.356  1.00 22.30           C  
-ATOM  20255  N   VAL M  51      95.820  34.029  40.085  1.00 18.59           N  
-ATOM  20256  CA  VAL M  51      94.552  33.731  40.738  1.00 17.51           C  
-ATOM  20257  C   VAL M  51      94.010  35.030  41.352  1.00 17.26           C  
-ATOM  20258  O   VAL M  51      94.698  35.692  42.139  1.00 16.72           O  
-ATOM  20259  CB  VAL M  51      94.678  32.667  41.875  1.00 17.64           C  
-ATOM  20260  CG1 VAL M  51      93.341  32.406  42.538  1.00 17.00           C  
-ATOM  20261  CG2 VAL M  51      95.281  31.394  41.387  1.00 17.23           C  
-ATOM  20262  N   PHE M  52      92.764  35.355  40.994  1.00 16.61           N  
-ATOM  20263  CA  PHE M  52      92.122  36.561  41.452  1.00 16.85           C  
-ATOM  20264  C   PHE M  52      90.624  36.364  41.721  1.00 17.15           C  
-ATOM  20265  O   PHE M  52      89.944  35.574  41.056  1.00 15.67           O  
-ATOM  20266  CB  PHE M  52      92.312  37.680  40.437  1.00 16.46           C  
-ATOM  20267  CG  PHE M  52      91.925  37.304  39.016  1.00 17.75           C  
-ATOM  20268  CD1 PHE M  52      92.848  36.682  38.158  1.00 17.20           C  
-ATOM  20269  CD2 PHE M  52      90.648  37.581  38.534  1.00 16.70           C  
-ATOM  20270  CE1 PHE M  52      92.496  36.355  36.832  1.00 13.25           C  
-ATOM  20271  CE2 PHE M  52      90.288  37.281  37.206  1.00 17.66           C  
-ATOM  20272  CZ  PHE M  52      91.191  36.646  36.362  1.00 16.41           C  
-ATOM  20273  N   TRP M  53      90.119  37.121  42.687  1.00 16.68           N  
-ATOM  20274  CA  TRP M  53      88.683  37.247  42.872  1.00 17.38           C  
-ATOM  20275  C   TRP M  53      88.182  38.367  41.940  1.00 18.02           C  
-ATOM  20276  O   TRP M  53      88.657  39.501  42.003  1.00 18.04           O  
-ATOM  20277  CB  TRP M  53      88.349  37.564  44.336  1.00 16.61           C  
-ATOM  20278  CG  TRP M  53      88.835  36.544  45.303  1.00 16.50           C  
-ATOM  20279  CD1 TRP M  53      89.301  35.287  45.019  1.00 16.57           C  
-ATOM  20280  CD2 TRP M  53      88.902  36.682  46.723  1.00 16.46           C  
-ATOM  20281  NE1 TRP M  53      89.675  34.648  46.181  1.00 17.24           N  
-ATOM  20282  CE2 TRP M  53      89.449  35.481  47.239  1.00 17.07           C  
-ATOM  20283  CE3 TRP M  53      88.580  37.711  47.619  1.00 18.48           C  
-ATOM  20284  CZ2 TRP M  53      89.667  35.276  48.601  1.00 18.89           C  
-ATOM  20285  CZ3 TRP M  53      88.792  37.510  48.983  1.00 19.22           C  
-ATOM  20286  CH2 TRP M  53      89.329  36.297  49.458  1.00 19.31           C  
-ATOM  20287  N   GLN M  54      87.243  38.040  41.056  1.00 18.67           N  
-ATOM  20288  CA  GLN M  54      86.730  39.030  40.122  1.00 19.76           C  
-ATOM  20289  C   GLN M  54      85.440  39.573  40.701  1.00 19.71           C  
-ATOM  20290  O   GLN M  54      84.352  39.060  40.437  1.00 19.43           O  
-ATOM  20291  CB  GLN M  54      86.508  38.413  38.756  1.00 19.89           C  
-ATOM  20292  CG  GLN M  54      86.139  39.384  37.638  1.00 22.85           C  
-ATOM  20293  CD  GLN M  54      86.208  38.688  36.275  1.00 27.96           C  
-ATOM  20294  OE1 GLN M  54      87.301  38.318  35.814  1.00 29.15           O  
-ATOM  20295  NE2 GLN M  54      85.042  38.455  35.656  1.00 29.13           N  
-ATOM  20296  N   GLN M  55      85.580  40.606  41.522  1.00 19.65           N  
-ATOM  20297  CA  GLN M  55      84.429  41.230  42.141  1.00 20.07           C  
-ATOM  20298  C   GLN M  55      83.580  41.933  41.097  1.00 20.15           C  
-ATOM  20299  O   GLN M  55      83.999  42.920  40.501  1.00 19.99           O  
-ATOM  20300  CB  GLN M  55      84.863  42.187  43.239  1.00 19.81           C  
-ATOM  20301  CG  GLN M  55      83.685  42.819  43.961  1.00 22.26           C  
-ATOM  20302  CD  GLN M  55      84.106  43.755  45.081  1.00 26.28           C  
-ATOM  20303  OE1 GLN M  55      85.226  43.677  45.581  1.00 28.44           O  
-ATOM  20304  NE2 GLN M  55      83.205  44.631  45.482  1.00 26.97           N  
-ATOM  20305  N   THR M  56      82.371  41.426  40.887  1.00 19.96           N  
-ATOM  20306  CA  THR M  56      81.487  41.974  39.843  1.00 20.21           C  
-ATOM  20307  C   THR M  56      80.131  42.328  40.401  1.00 19.99           C  
-ATOM  20308  O   THR M  56      79.488  41.520  41.069  1.00 19.44           O  
-ATOM  20309  CB  THR M  56      81.314  40.946  38.711  1.00 20.44           C  
-ATOM  20310  OG1 THR M  56      82.565  40.293  38.507  1.00 22.32           O  
-ATOM  20311  CG2 THR M  56      81.056  41.606  37.419  1.00 20.11           C  
-ATOM  20312  N   THR M  57      79.696  43.542  40.086  1.00 19.52           N  
-ATOM  20313  CA  THR M  57      78.559  44.151  40.747  1.00 19.63           C  
-ATOM  20314  C   THR M  57      77.716  44.831  39.684  1.00 18.79           C  
-ATOM  20315  O   THR M  57      78.269  45.400  38.741  1.00 18.05           O  
-ATOM  20316  CB  THR M  57      79.130  45.123  41.772  1.00 20.34           C  
-ATOM  20317  OG1 THR M  57      78.951  44.565  43.077  1.00 22.50           O  
-ATOM  20318  CG2 THR M  57      78.430  46.442  41.784  1.00 21.33           C  
-ATOM  20319  N   TRP M  58      76.389  44.676  39.792  1.00 17.59           N  
-ATOM  20320  CA  TRP M  58      75.434  45.323  38.885  1.00 17.65           C  
-ATOM  20321  C   TRP M  58      74.032  45.230  39.453  1.00 17.80           C  
-ATOM  20322  O   TRP M  58      73.764  44.471  40.395  1.00 17.67           O  
-ATOM  20323  CB  TRP M  58      75.462  44.762  37.455  1.00 16.57           C  
-ATOM  20324  CG  TRP M  58      74.883  43.390  37.365  1.00 16.94           C  
-ATOM  20325  CD1 TRP M  58      73.590  43.058  37.061  1.00 16.70           C  
-ATOM  20326  CD2 TRP M  58      75.560  42.162  37.640  1.00 15.08           C  
-ATOM  20327  NE1 TRP M  58      73.428  41.696  37.116  1.00 15.67           N  
-ATOM  20328  CE2 TRP M  58      74.620  41.117  37.469  1.00 14.06           C  
-ATOM  20329  CE3 TRP M  58      76.864  41.838  38.039  1.00 14.14           C  
-ATOM  20330  CZ2 TRP M  58      74.943  39.767  37.646  1.00 14.11           C  
-ATOM  20331  CZ3 TRP M  58      77.202  40.471  38.204  1.00 14.29           C  
-ATOM  20332  CH2 TRP M  58      76.236  39.464  38.026  1.00 15.62           C  
-ATOM  20333  N   SER M  59      73.132  45.971  38.836  1.00 17.79           N  
-ATOM  20334  CA  SER M  59      71.768  46.014  39.303  1.00 19.29           C  
-ATOM  20335  C   SER M  59      70.807  45.397  38.296  1.00 18.97           C  
-ATOM  20336  O   SER M  59      70.923  45.637  37.099  1.00 18.81           O  
-ATOM  20337  CB  SER M  59      71.399  47.470  39.635  1.00 19.12           C  
-ATOM  20338  OG  SER M  59      70.063  47.727  39.311  1.00 22.61           O  
-ATOM  20339  N   ASP M  60      69.878  44.588  38.797  1.00 19.52           N  
-ATOM  20340  CA  ASP M  60      68.833  43.951  37.979  1.00 19.91           C  
-ATOM  20341  C   ASP M  60      67.503  44.019  38.727  1.00 19.66           C  
-ATOM  20342  O   ASP M  60      67.224  43.207  39.583  1.00 19.09           O  
-ATOM  20343  CB  ASP M  60      69.185  42.495  37.656  1.00 20.00           C  
-ATOM  20344  CG  ASP M  60      68.221  41.862  36.634  1.00 22.27           C  
-ATOM  20345  OD1 ASP M  60      67.100  42.387  36.408  1.00 22.13           O  
-ATOM  20346  OD2 ASP M  60      68.503  40.825  35.983  1.00 24.79           O  
-ATOM  20347  N   ARG M  61      66.694  45.017  38.413  1.00 20.79           N  
-ATOM  20348  CA  ARG M  61      65.428  45.254  39.116  1.00 21.51           C  
-ATOM  20349  C   ARG M  61      64.412  44.155  38.909  1.00 20.64           C  
-ATOM  20350  O   ARG M  61      63.588  43.936  39.761  1.00 20.43           O  
-ATOM  20351  CB  ARG M  61      64.826  46.602  38.730  1.00 22.77           C  
-ATOM  20352  CG  ARG M  61      65.707  47.811  39.065  1.00 25.47           C  
-ATOM  20353  CD  ARG M  61      65.999  47.979  40.548  1.00 31.46           C  
-ATOM  20354  NE  ARG M  61      67.430  48.126  40.861  1.00 35.71           N  
-ATOM  20355  CZ  ARG M  61      67.931  49.118  41.608  1.00 36.90           C  
-ATOM  20356  NH1 ARG M  61      67.122  50.051  42.110  1.00 35.31           N  
-ATOM  20357  NH2 ARG M  61      69.233  49.174  41.864  1.00 36.73           N  
-ATOM  20358  N   THR M  62      64.498  43.415  37.813  1.00 20.78           N  
-ATOM  20359  CA  THR M  62      63.574  42.283  37.650  1.00 21.26           C  
-ATOM  20360  C   THR M  62      63.734  41.229  38.762  1.00 20.69           C  
-ATOM  20361  O   THR M  62      62.887  40.379  38.923  1.00 20.88           O  
-ATOM  20362  CB  THR M  62      63.713  41.624  36.274  1.00 21.41           C  
-ATOM  20363  OG1 THR M  62      65.013  41.018  36.164  1.00 22.95           O  
-ATOM  20364  CG2 THR M  62      63.708  42.676  35.154  1.00 22.36           C  
-ATOM  20365  N   LEU M  63      64.818  41.298  39.530  1.00 20.02           N  
-ATOM  20366  CA  LEU M  63      65.051  40.362  40.629  1.00 19.81           C  
-ATOM  20367  C   LEU M  63      64.458  40.830  41.955  1.00 19.67           C  
-ATOM  20368  O   LEU M  63      64.343  40.054  42.901  1.00 19.95           O  
-ATOM  20369  CB  LEU M  63      66.543  40.099  40.816  1.00 19.35           C  
-ATOM  20370  CG  LEU M  63      67.346  39.602  39.610  1.00 20.53           C  
-ATOM  20371  CD1 LEU M  63      68.813  39.508  39.983  1.00 18.84           C  
-ATOM  20372  CD2 LEU M  63      66.828  38.254  39.092  1.00 19.75           C  
-ATOM  20373  N   ALA M  64      64.090  42.101  42.019  1.00 19.13           N  
-ATOM  20374  CA  ALA M  64      63.713  42.741  43.263  1.00 18.83           C  
-ATOM  20375  C   ALA M  64      62.453  42.153  43.892  1.00 19.01           C  
-ATOM  20376  O   ALA M  64      61.520  41.739  43.206  1.00 19.14           O  
-ATOM  20377  CB  ALA M  64      63.540  44.265  43.061  1.00 18.97           C  
-ATOM  20378  N   TRP M  65      62.432  42.142  45.212  1.00 18.63           N  
-ATOM  20379  CA  TRP M  65      61.269  41.716  45.950  1.00 18.81           C  
-ATOM  20380  C   TRP M  65      61.118  42.569  47.203  1.00 19.26           C  
-ATOM  20381  O   TRP M  65      62.084  43.140  47.709  1.00 19.02           O  
-ATOM  20382  CB  TRP M  65      61.355  40.230  46.318  1.00 18.08           C  
-ATOM  20383  CG  TRP M  65      62.417  39.917  47.370  1.00 16.66           C  
-ATOM  20384  CD1 TRP M  65      62.237  39.854  48.731  1.00 15.30           C  
-ATOM  20385  CD2 TRP M  65      63.803  39.603  47.143  1.00 14.03           C  
-ATOM  20386  NE1 TRP M  65      63.416  39.520  49.356  1.00 13.67           N  
-ATOM  20387  CE2 TRP M  65      64.393  39.356  48.412  1.00 13.20           C  
-ATOM  20388  CE3 TRP M  65      64.606  39.496  46.002  1.00 13.13           C  
-ATOM  20389  CZ2 TRP M  65      65.747  39.029  48.563  1.00 12.13           C  
-ATOM  20390  CZ3 TRP M  65      65.971  39.162  46.153  1.00 12.87           C  
-ATOM  20391  CH2 TRP M  65      66.525  38.948  47.419  1.00 12.03           C  
-ATOM  20392  N   ASN M  66      59.886  42.649  47.682  1.00 20.02           N  
-ATOM  20393  CA  ASN M  66      59.563  43.385  48.893  1.00 20.82           C  
-ATOM  20394  C   ASN M  66      60.035  42.589  50.109  1.00 20.77           C  
-ATOM  20395  O   ASN M  66      59.530  41.500  50.372  1.00 20.97           O  
-ATOM  20396  CB  ASN M  66      58.049  43.603  48.962  1.00 21.29           C  
-ATOM  20397  CG  ASN M  66      57.638  44.558  50.073  1.00 22.82           C  
-ATOM  20398  OD1 ASN M  66      58.318  44.670  51.090  1.00 23.13           O  
-ATOM  20399  ND2 ASN M  66      56.514  45.247  49.879  1.00 25.10           N  
-ATOM  20400  N   SER M  67      60.973  43.142  50.869  1.00 20.65           N  
-ATOM  20401  CA  SER M  67      61.573  42.400  51.981  1.00 20.85           C  
-ATOM  20402  C   SER M  67      61.291  42.993  53.365  1.00 21.42           C  
-ATOM  20403  O   SER M  67      62.111  42.862  54.285  1.00 20.95           O  
-ATOM  20404  CB  SER M  67      63.087  42.214  51.756  1.00 21.09           C  
-ATOM  20405  OG  SER M  67      63.832  43.344  52.183  1.00 20.96           O  
-ATOM  20406  N   SER M  68      60.121  43.624  53.518  1.00 21.67           N  
-ATOM  20407  CA  SER M  68      59.747  44.233  54.799  1.00 22.22           C  
-ATOM  20408  C   SER M  68      59.692  43.203  55.925  1.00 22.26           C  
-ATOM  20409  O   SER M  68      60.102  43.488  57.058  1.00 22.03           O  
-ATOM  20410  CB  SER M  68      58.431  45.006  54.695  1.00 22.07           C  
-ATOM  20411  OG  SER M  68      57.399  44.206  54.146  1.00 22.28           O  
-ATOM  20412  N   HIS M  69      59.209  42.007  55.594  1.00 22.29           N  
-ATOM  20413  CA  HIS M  69      59.163  40.894  56.545  1.00 22.55           C  
-ATOM  20414  C   HIS M  69      59.761  39.632  55.930  1.00 22.81           C  
-ATOM  20415  O   HIS M  69      59.342  38.497  56.237  1.00 22.50           O  
-ATOM  20416  CB  HIS M  69      57.738  40.663  57.008  1.00 22.80           C  
-ATOM  20417  CG  HIS M  69      57.182  41.803  57.800  1.00 23.25           C  
-ATOM  20418  ND1 HIS M  69      57.501  42.008  59.126  1.00 23.20           N  
-ATOM  20419  CD2 HIS M  69      56.365  42.821  57.443  1.00 23.30           C  
-ATOM  20420  CE1 HIS M  69      56.885  43.093  59.558  1.00 24.95           C  
-ATOM  20421  NE2 HIS M  69      56.185  43.603  58.559  1.00 25.28           N  
-ATOM  20422  N   SER M  70      60.766  39.852  55.079  1.00 22.28           N  
-ATOM  20423  CA  SER M  70      61.452  38.761  54.408  1.00 22.03           C  
-ATOM  20424  C   SER M  70      62.974  38.940  54.455  1.00 21.91           C  
-ATOM  20425  O   SER M  70      63.478  40.058  54.625  1.00 21.71           O  
-ATOM  20426  CB  SER M  70      60.992  38.665  52.951  1.00 22.03           C  
-ATOM  20427  OG  SER M  70      59.570  38.573  52.845  1.00 22.69           O  
-ATOM  20428  N   PRO M  71      63.714  37.841  54.300  1.00 21.59           N  
-ATOM  20429  CA  PRO M  71      65.163  37.931  54.101  1.00 21.19           C  
-ATOM  20430  C   PRO M  71      65.442  38.925  52.976  1.00 21.01           C  
-ATOM  20431  O   PRO M  71      64.661  38.987  52.024  1.00 20.54           O  
-ATOM  20432  CB  PRO M  71      65.540  36.522  53.655  1.00 21.20           C  
-ATOM  20433  CG  PRO M  71      64.495  35.641  54.291  1.00 21.58           C  
-ATOM  20434  CD  PRO M  71      63.231  36.444  54.315  1.00 21.57           C  
-ATOM  20435  N   ASP M  72      66.505  39.712  53.091  1.00 20.76           N  
-ATOM  20436  CA  ASP M  72      66.730  40.759  52.110  1.00 21.37           C  
-ATOM  20437  C   ASP M  72      67.885  40.414  51.151  1.00 20.19           C  
-ATOM  20438  O   ASP M  72      68.195  41.185  50.257  1.00 20.08           O  
-ATOM  20439  CB  ASP M  72      66.897  42.124  52.802  1.00 22.53           C  
-ATOM  20440  CG  ASP M  72      68.286  42.328  53.347  1.00 26.37           C  
-ATOM  20441  OD1 ASP M  72      68.790  41.421  54.049  1.00 29.98           O  
-ATOM  20442  OD2 ASP M  72      68.965  43.350  53.099  1.00 31.55           O  
-ATOM  20443  N   GLN M  73      68.489  39.238  51.341  1.00 18.85           N  
-ATOM  20444  CA  GLN M  73      69.534  38.721  50.458  1.00 17.95           C  
-ATOM  20445  C   GLN M  73      69.433  37.205  50.318  1.00 16.64           C  
-ATOM  20446  O   GLN M  73      69.085  36.518  51.273  1.00 15.91           O  
-ATOM  20447  CB  GLN M  73      70.916  39.032  51.016  1.00 17.97           C  
-ATOM  20448  CG  GLN M  73      71.389  40.435  50.826  1.00 20.62           C  
-ATOM  20449  CD  GLN M  73      72.867  40.600  51.227  1.00 22.67           C  
-ATOM  20450  OE1 GLN M  73      73.717  39.771  50.883  1.00 24.10           O  
-ATOM  20451  NE2 GLN M  73      73.161  41.664  51.949  1.00 20.10           N  
-ATOM  20452  N   VAL M  74      69.765  36.696  49.137  1.00 15.23           N  
-ATOM  20453  CA  VAL M  74      69.867  35.251  48.908  1.00 14.57           C  
-ATOM  20454  C   VAL M  74      71.086  34.907  48.035  1.00 14.94           C  
-ATOM  20455  O   VAL M  74      71.606  35.769  47.304  1.00 14.25           O  
-ATOM  20456  CB  VAL M  74      68.579  34.653  48.260  1.00 14.59           C  
-ATOM  20457  CG1 VAL M  74      67.420  34.656  49.231  1.00 13.87           C  
-ATOM  20458  CG2 VAL M  74      68.189  35.383  46.994  1.00 12.82           C  
-ATOM  20459  N   SER M  75      71.543  33.658  48.110  1.00 14.44           N  
-ATOM  20460  CA  SER M  75      72.522  33.166  47.128  1.00 15.19           C  
-ATOM  20461  C   SER M  75      71.835  32.466  45.976  1.00 15.48           C  
-ATOM  20462  O   SER M  75      70.949  31.670  46.178  1.00 16.18           O  
-ATOM  20463  CB  SER M  75      73.520  32.226  47.762  1.00 15.19           C  
-ATOM  20464  OG  SER M  75      74.203  32.849  48.821  1.00 15.13           O  
-ATOM  20465  N   VAL M  76      72.241  32.764  44.758  1.00 15.64           N  
-ATOM  20466  CA  VAL M  76      71.503  32.299  43.587  1.00 15.98           C  
-ATOM  20467  C   VAL M  76      72.503  31.744  42.603  1.00 16.52           C  
-ATOM  20468  O   VAL M  76      73.488  32.403  42.360  1.00 15.78           O  
-ATOM  20469  CB  VAL M  76      70.745  33.474  42.897  1.00 16.17           C  
-ATOM  20470  CG1 VAL M  76      69.897  32.992  41.689  1.00 14.89           C  
-ATOM  20471  CG2 VAL M  76      69.888  34.225  43.927  1.00 14.52           C  
-ATOM  20472  N   PRO M  77      72.252  30.543  42.046  1.00 17.03           N  
-ATOM  20473  CA  PRO M  77      73.125  30.011  40.998  1.00 17.17           C  
-ATOM  20474  C   PRO M  77      73.150  31.030  39.849  1.00 17.20           C  
-ATOM  20475  O   PRO M  77      72.105  31.565  39.483  1.00 17.35           O  
-ATOM  20476  CB  PRO M  77      72.450  28.683  40.585  1.00 17.25           C  
-ATOM  20477  CG  PRO M  77      71.430  28.377  41.620  1.00 17.98           C  
-ATOM  20478  CD  PRO M  77      71.124  29.647  42.359  1.00 17.05           C  
-ATOM  20479  N   ILE M  78      74.312  31.311  39.284  1.00 17.92           N  
-ATOM  20480  CA  ILE M  78      74.390  32.231  38.136  1.00 19.34           C  
-ATOM  20481  C   ILE M  78      73.658  31.779  36.881  1.00 19.97           C  
-ATOM  20482  O   ILE M  78      73.330  32.614  36.028  1.00 19.98           O  
-ATOM  20483  CB  ILE M  78      75.855  32.630  37.791  1.00 19.99           C  
-ATOM  20484  CG1 ILE M  78      76.644  31.425  37.244  1.00 20.49           C  
-ATOM  20485  CG2 ILE M  78      76.550  33.226  38.978  1.00 18.35           C  
-ATOM  20486  CD1 ILE M  78      77.924  31.874  36.461  1.00 23.12           C  
-ATOM  20487  N   SER M  79      73.387  30.472  36.760  1.00 20.34           N  
-ATOM  20488  CA  SER M  79      72.561  29.971  35.667  1.00 21.20           C  
-ATOM  20489  C   SER M  79      71.118  30.513  35.752  1.00 21.01           C  
-ATOM  20490  O   SER M  79      70.391  30.541  34.744  1.00 21.13           O  
-ATOM  20491  CB  SER M  79      72.537  28.433  35.653  1.00 21.83           C  
-ATOM  20492  OG  SER M  79      71.766  27.933  36.716  1.00 24.24           O  
-ATOM  20493  N   SER M  80      70.696  30.929  36.937  1.00 20.47           N  
-ATOM  20494  CA  SER M  80      69.375  31.551  37.076  1.00 20.99           C  
-ATOM  20495  C   SER M  80      69.368  33.083  36.883  1.00 20.36           C  
-ATOM  20496  O   SER M  80      68.339  33.720  37.010  1.00 21.03           O  
-ATOM  20497  CB  SER M  80      68.748  31.166  38.426  1.00 20.86           C  
-ATOM  20498  OG  SER M  80      68.419  29.778  38.406  1.00 23.73           O  
-ATOM  20499  N   LEU M  81      70.513  33.669  36.575  1.00 19.68           N  
-ATOM  20500  CA  LEU M  81      70.647  35.122  36.536  1.00 19.71           C  
-ATOM  20501  C   LEU M  81      71.264  35.579  35.227  1.00 18.77           C  
-ATOM  20502  O   LEU M  81      72.070  34.870  34.645  1.00 17.97           O  
-ATOM  20503  CB  LEU M  81      71.602  35.584  37.633  1.00 20.51           C  
-ATOM  20504  CG  LEU M  81      71.267  35.406  39.100  1.00 21.47           C  
-ATOM  20505  CD1 LEU M  81      72.281  36.136  39.940  1.00 22.68           C  
-ATOM  20506  CD2 LEU M  81      69.911  35.957  39.359  1.00 24.40           C  
-ATOM  20507  N   TRP M  82      70.903  36.772  34.752  1.00 18.13           N  
-ATOM  20508  CA  TRP M  82      71.732  37.378  33.720  1.00 17.50           C  
-ATOM  20509  C   TRP M  82      73.008  37.786  34.386  1.00 17.58           C  
-ATOM  20510  O   TRP M  82      72.988  38.372  35.473  1.00 17.63           O  
-ATOM  20511  CB  TRP M  82      71.084  38.612  33.098  1.00 16.77           C  
-ATOM  20512  CG  TRP M  82      71.979  39.304  32.103  1.00 16.78           C  
-ATOM  20513  CD1 TRP M  82      72.136  38.986  30.771  1.00 15.85           C  
-ATOM  20514  CD2 TRP M  82      72.858  40.397  32.359  1.00 16.11           C  
-ATOM  20515  NE1 TRP M  82      73.006  39.861  30.174  1.00 16.85           N  
-ATOM  20516  CE2 TRP M  82      73.482  40.734  31.126  1.00 17.19           C  
-ATOM  20517  CE3 TRP M  82      73.158  41.172  33.504  1.00 15.53           C  
-ATOM  20518  CZ2 TRP M  82      74.408  41.774  31.012  1.00 15.12           C  
-ATOM  20519  CZ3 TRP M  82      74.079  42.225  33.392  1.00 15.40           C  
-ATOM  20520  CH2 TRP M  82      74.673  42.530  32.152  1.00 15.97           C  
-ATOM  20521  N   VAL M  83      74.110  37.505  33.719  1.00 17.71           N  
-ATOM  20522  CA  VAL M  83      75.438  37.897  34.179  1.00 18.56           C  
-ATOM  20523  C   VAL M  83      76.170  38.640  33.032  1.00 18.51           C  
-ATOM  20524  O   VAL M  83      76.034  38.256  31.868  1.00 18.43           O  
-ATOM  20525  CB  VAL M  83      76.228  36.609  34.634  1.00 19.17           C  
-ATOM  20526  CG1 VAL M  83      77.678  36.885  34.789  1.00 20.65           C  
-ATOM  20527  CG2 VAL M  83      75.650  36.086  35.938  1.00 19.21           C  
-ATOM  20528  N   PRO M  84      76.940  39.695  33.319  1.00 18.74           N  
-ATOM  20529  CA  PRO M  84      77.644  40.410  32.243  1.00 18.64           C  
-ATOM  20530  C   PRO M  84      78.643  39.496  31.526  1.00 18.09           C  
-ATOM  20531  O   PRO M  84      79.356  38.746  32.174  1.00 17.50           O  
-ATOM  20532  CB  PRO M  84      78.385  41.532  32.962  1.00 18.34           C  
-ATOM  20533  CG  PRO M  84      77.975  41.492  34.373  1.00 18.84           C  
-ATOM  20534  CD  PRO M  84      77.162  40.308  34.644  1.00 18.87           C  
-ATOM  20535  N   ASP M  85      78.706  39.599  30.212  1.00 17.38           N  
-ATOM  20536  CA  ASP M  85      79.551  38.716  29.396  1.00 17.39           C  
-ATOM  20537  C   ASP M  85      80.992  39.265  29.368  1.00 17.02           C  
-ATOM  20538  O   ASP M  85      81.549  39.521  28.306  1.00 16.84           O  
-ATOM  20539  CB  ASP M  85      78.966  38.590  27.989  1.00 16.48           C  
-ATOM  20540  CG  ASP M  85      78.924  39.952  27.249  1.00 19.03           C  
-ATOM  20541  OD1 ASP M  85      78.777  41.032  27.925  1.00 18.44           O  
-ATOM  20542  OD2 ASP M  85      79.045  40.041  26.012  1.00 19.96           O  
-ATOM  20543  N   LEU M  86      81.582  39.443  30.549  1.00 16.66           N  
-ATOM  20544  CA  LEU M  86      82.951  39.939  30.668  1.00 16.99           C  
-ATOM  20545  C   LEU M  86      84.006  38.988  30.128  1.00 17.51           C  
-ATOM  20546  O   LEU M  86      83.894  37.758  30.263  1.00 18.08           O  
-ATOM  20547  CB  LEU M  86      83.267  40.341  32.097  1.00 17.10           C  
-ATOM  20548  CG  LEU M  86      82.332  41.435  32.641  1.00 17.50           C  
-ATOM  20549  CD1 LEU M  86      82.741  41.831  34.038  1.00 17.87           C  
-ATOM  20550  CD2 LEU M  86      82.301  42.672  31.735  1.00 15.34           C  
-ATOM  20551  N   ALA M  87      84.997  39.539  29.445  1.00 17.31           N  
-ATOM  20552  CA  ALA M  87      86.147  38.732  29.024  1.00 17.37           C  
-ATOM  20553  C   ALA M  87      87.443  39.503  29.255  1.00 17.36           C  
-ATOM  20554  O   ALA M  87      87.474  40.736  29.136  1.00 17.02           O  
-ATOM  20555  CB  ALA M  87      86.014  38.323  27.564  1.00 16.75           C  
-ATOM  20556  N   ALA M  88      88.515  38.782  29.572  1.00 17.36           N  
-ATOM  20557  CA  ALA M  88      89.820  39.438  29.574  1.00 17.49           C  
-ATOM  20558  C   ALA M  88      90.446  39.359  28.183  1.00 17.31           C  
-ATOM  20559  O   ALA M  88      90.676  38.275  27.660  1.00 17.75           O  
-ATOM  20560  CB  ALA M  88      90.695  38.850  30.628  1.00 17.75           C  
-ATOM  20561  N   TYR M  89      90.675  40.520  27.568  1.00 17.29           N  
-ATOM  20562  CA  TYR M  89      91.155  40.586  26.184  1.00 17.24           C  
-ATOM  20563  C   TYR M  89      92.552  39.991  25.956  1.00 16.91           C  
-ATOM  20564  O   TYR M  89      92.870  39.608  24.833  1.00 17.32           O  
-ATOM  20565  CB  TYR M  89      91.148  42.020  25.686  1.00 17.26           C  
-ATOM  20566  CG  TYR M  89      89.807  42.530  25.239  1.00 17.98           C  
-ATOM  20567  CD1 TYR M  89      88.728  42.585  26.128  1.00 18.81           C  
-ATOM  20568  CD2 TYR M  89      89.616  42.962  23.944  1.00 18.47           C  
-ATOM  20569  CE1 TYR M  89      87.477  43.080  25.736  1.00 21.53           C  
-ATOM  20570  CE2 TYR M  89      88.363  43.465  23.522  1.00 19.47           C  
-ATOM  20571  CZ  TYR M  89      87.316  43.528  24.428  1.00 22.61           C  
-ATOM  20572  OH  TYR M  89      86.101  44.014  24.023  1.00 25.19           O  
-ATOM  20573  N   ASN M  90      93.394  39.959  26.986  1.00 15.53           N  
-ATOM  20574  CA  ASN M  90      94.737  39.410  26.811  1.00 15.54           C  
-ATOM  20575  C   ASN M  90      94.906  38.085  27.526  1.00 15.56           C  
-ATOM  20576  O   ASN M  90      96.055  37.638  27.768  1.00 15.24           O  
-ATOM  20577  CB  ASN M  90      95.834  40.391  27.249  1.00 15.31           C  
-ATOM  20578  CG  ASN M  90      95.651  40.866  28.661  1.00 16.24           C  
-ATOM  20579  OD1 ASN M  90      94.528  41.058  29.141  1.00 16.62           O  
-ATOM  20580  ND2 ASN M  90      96.748  41.049  29.347  1.00 15.18           N  
-ATOM  20581  N   ALA M  91      93.784  37.440  27.849  1.00 14.58           N  
-ATOM  20582  CA  ALA M  91      93.872  36.087  28.393  1.00 15.44           C  
-ATOM  20583  C   ALA M  91      94.326  35.083  27.324  1.00 15.23           C  
-ATOM  20584  O   ALA M  91      93.947  35.171  26.172  1.00 14.52           O  
-ATOM  20585  CB  ALA M  91      92.543  35.637  29.030  1.00 15.48           C  
-ATOM  20586  N   ILE M  92      95.175  34.147  27.715  1.00 15.31           N  
-ATOM  20587  CA  ILE M  92      95.565  33.125  26.769  1.00 16.40           C  
-ATOM  20588  C   ILE M  92      95.113  31.719  27.262  1.00 17.22           C  
-ATOM  20589  O   ILE M  92      95.505  30.694  26.717  1.00 16.64           O  
-ATOM  20590  CB  ILE M  92      97.093  33.221  26.520  1.00 16.77           C  
-ATOM  20591  CG1 ILE M  92      97.855  33.060  27.843  1.00 16.18           C  
-ATOM  20592  CG2 ILE M  92      97.443  34.544  25.800  1.00 15.54           C  
-ATOM  20593  CD1 ILE M  92      99.316  32.858  27.683  1.00 15.98           C  
-ATOM  20594  N   SER M  93      94.277  31.695  28.297  1.00 17.61           N  
-ATOM  20595  CA  SER M  93      93.627  30.454  28.722  1.00 19.02           C  
-ATOM  20596  C   SER M  93      92.213  30.794  29.116  1.00 19.62           C  
-ATOM  20597  O   SER M  93      91.901  31.953  29.467  1.00 19.66           O  
-ATOM  20598  CB  SER M  93      94.376  29.761  29.890  1.00 18.74           C  
-ATOM  20599  OG  SER M  93      94.185  30.477  31.108  1.00 18.78           O  
-ATOM  20600  N   LYS M  94      91.338  29.807  29.046  1.00 21.72           N  
-ATOM  20601  CA  LYS M  94      89.957  29.977  29.527  1.00 23.93           C  
-ATOM  20602  C   LYS M  94      90.008  30.194  31.029  1.00 23.85           C  
-ATOM  20603  O   LYS M  94      90.914  29.674  31.696  1.00 23.87           O  
-ATOM  20604  CB  LYS M  94      89.062  28.773  29.169  1.00 24.21           C  
-ATOM  20605  CG  LYS M  94      89.772  27.423  29.125  1.00 30.75           C  
-ATOM  20606  CD  LYS M  94      88.876  26.303  28.482  1.00 36.09           C  
-ATOM  20607  CE  LYS M  94      87.489  26.837  28.046  1.00 37.17           C  
-ATOM  20608  NZ  LYS M  94      86.458  25.753  27.883  1.00 41.04           N  
-ATOM  20609  N   PRO M  95      89.083  30.998  31.562  1.00 23.74           N  
-ATOM  20610  CA  PRO M  95      89.086  31.293  32.994  1.00 23.99           C  
-ATOM  20611  C   PRO M  95      88.684  30.051  33.754  1.00 23.72           C  
-ATOM  20612  O   PRO M  95      87.604  29.554  33.591  1.00 25.42           O  
-ATOM  20613  CB  PRO M  95      88.008  32.389  33.156  1.00 23.75           C  
-ATOM  20614  CG  PRO M  95      87.639  32.816  31.749  1.00 24.26           C  
-ATOM  20615  CD  PRO M  95      87.968  31.657  30.867  1.00 23.67           C  
-ATOM  20616  N   GLU M  96      89.543  29.576  34.612  1.00 22.99           N  
-ATOM  20617  CA  GLU M  96      89.205  28.450  35.481  1.00 23.22           C  
-ATOM  20618  C   GLU M  96      88.573  28.989  36.774  1.00 22.18           C  
-ATOM  20619  O   GLU M  96      89.287  29.566  37.612  1.00 21.85           O  
-ATOM  20620  CB  GLU M  96      90.500  27.721  35.814  1.00 23.50           C  
-ATOM  20621  CG  GLU M  96      90.385  26.322  36.410  1.00 28.53           C  
-ATOM  20622  CD  GLU M  96      91.766  25.735  36.669  1.00 35.05           C  
-ATOM  20623  OE1 GLU M  96      92.699  26.108  35.903  1.00 38.21           O  
-ATOM  20624  OE2 GLU M  96      91.937  24.928  37.623  1.00 38.24           O  
-ATOM  20625  N   VAL M  97      87.257  28.827  36.917  1.00 20.96           N  
-ATOM  20626  CA  VAL M  97      86.538  29.277  38.116  1.00 19.88           C  
-ATOM  20627  C   VAL M  97      86.762  28.277  39.266  1.00 19.84           C  
-ATOM  20628  O   VAL M  97      86.416  27.101  39.150  1.00 18.65           O  
-ATOM  20629  CB  VAL M  97      84.986  29.411  37.840  1.00 20.45           C  
-ATOM  20630  CG1 VAL M  97      84.276  30.010  39.036  1.00 18.83           C  
-ATOM  20631  CG2 VAL M  97      84.681  30.226  36.571  1.00 19.06           C  
-ATOM  20632  N   LEU M  98      87.315  28.754  40.377  1.00 18.87           N  
-ATOM  20633  CA  LEU M  98      87.683  27.833  41.466  1.00 19.30           C  
-ATOM  20634  C   LEU M  98      86.590  27.643  42.508  1.00 19.08           C  
-ATOM  20635  O   LEU M  98      86.628  26.697  43.279  1.00 19.45           O  
-ATOM  20636  CB  LEU M  98      89.002  28.269  42.134  1.00 19.27           C  
-ATOM  20637  CG  LEU M  98      90.168  28.559  41.170  1.00 19.96           C  
-ATOM  20638  CD1 LEU M  98      91.304  29.168  41.907  1.00 19.29           C  
-ATOM  20639  CD2 LEU M  98      90.632  27.278  40.417  1.00 20.39           C  
-ATOM  20640  N   THR M  99      85.589  28.519  42.497  1.00 18.58           N  
-ATOM  20641  CA  THR M  99      84.609  28.587  43.586  1.00 18.33           C  
-ATOM  20642  C   THR M  99      83.205  28.207  43.123  1.00 18.20           C  
-ATOM  20643  O   THR M  99      82.949  28.206  41.938  1.00 18.31           O  
-ATOM  20644  CB  THR M  99      84.595  30.015  44.151  1.00 17.99           C  
-ATOM  20645  OG1 THR M  99      84.733  30.935  43.055  1.00 17.07           O  
-ATOM  20646  CG2 THR M  99      85.843  30.250  44.968  1.00 16.93           C  
-ATOM  20647  N   PRO M 100      82.302  27.884  44.056  1.00 18.59           N  
-ATOM  20648  CA  PRO M 100      80.878  27.668  43.715  1.00 18.57           C  
-ATOM  20649  C   PRO M 100      80.317  28.871  42.939  1.00 19.06           C  
-ATOM  20650  O   PRO M 100      80.526  30.018  43.324  1.00 18.52           O  
-ATOM  20651  CB  PRO M 100      80.198  27.531  45.083  1.00 18.56           C  
-ATOM  20652  CG  PRO M 100      81.288  27.011  45.982  1.00 19.26           C  
-ATOM  20653  CD  PRO M 100      82.563  27.680  45.492  1.00 18.23           C  
-ATOM  20654  N   GLN M 101      79.625  28.595  41.835  1.00 19.24           N  
-ATOM  20655  CA  GLN M 101      79.123  29.626  40.950  1.00 19.63           C  
-ATOM  20656  C   GLN M 101      77.773  30.214  41.391  1.00 19.13           C  
-ATOM  20657  O   GLN M 101      76.747  30.049  40.730  1.00 19.34           O  
-ATOM  20658  CB  GLN M 101      79.104  29.099  39.513  1.00 19.73           C  
-ATOM  20659  CG  GLN M 101      80.527  28.874  38.996  1.00 23.90           C  
-ATOM  20660  CD  GLN M 101      80.572  28.221  37.617  1.00 29.11           C  
-ATOM  20661  OE1 GLN M 101      79.867  28.646  36.694  1.00 31.75           O  
-ATOM  20662  NE2 GLN M 101      81.420  27.201  37.470  1.00 29.51           N  
-ATOM  20663  N   LEU M 102      77.809  30.931  42.500  1.00 18.68           N  
-ATOM  20664  CA  LEU M 102      76.628  31.517  43.124  1.00 18.06           C  
-ATOM  20665  C   LEU M 102      76.860  33.014  43.258  1.00 17.56           C  
-ATOM  20666  O   LEU M 102      77.976  33.452  43.639  1.00 16.92           O  
-ATOM  20667  CB  LEU M 102      76.410  30.915  44.530  1.00 18.35           C  
-ATOM  20668  CG  LEU M 102      76.254  29.392  44.711  1.00 20.54           C  
-ATOM  20669  CD1 LEU M 102      76.117  29.037  46.157  1.00 21.74           C  
-ATOM  20670  CD2 LEU M 102      75.061  28.821  43.981  1.00 20.31           C  
-ATOM  20671  N   ALA M 103      75.827  33.798  42.942  1.00 16.82           N  
-ATOM  20672  CA  ALA M 103      75.864  35.231  43.138  1.00 16.87           C  
-ATOM  20673  C   ALA M 103      75.007  35.544  44.340  1.00 17.07           C  
-ATOM  20674  O   ALA M 103      74.113  34.783  44.686  1.00 18.16           O  
-ATOM  20675  CB  ALA M 103      75.339  35.918  41.938  1.00 16.84           C  
-ATOM  20676  N   ARG M 104      75.289  36.659  44.983  1.00 16.87           N  
-ATOM  20677  CA  ARG M 104      74.495  37.149  46.087  1.00 16.22           C  
-ATOM  20678  C   ARG M 104      73.565  38.219  45.568  1.00 15.88           C  
-ATOM  20679  O   ARG M 104      73.995  39.137  44.891  1.00 15.97           O  
-ATOM  20680  CB  ARG M 104      75.440  37.676  47.146  1.00 16.50           C  
-ATOM  20681  CG  ARG M 104      74.856  37.817  48.468  1.00 18.00           C  
-ATOM  20682  CD  ARG M 104      74.659  36.518  49.221  1.00 17.94           C  
-ATOM  20683  NE  ARG M 104      74.067  36.869  50.502  1.00 16.97           N  
-ATOM  20684  CZ  ARG M 104      73.485  36.032  51.332  1.00 17.37           C  
-ATOM  20685  NH1 ARG M 104      73.382  34.749  51.029  1.00 14.06           N  
-ATOM  20686  NH2 ARG M 104      72.980  36.504  52.450  1.00 14.84           N  
-ATOM  20687  N   VAL M 105      72.273  38.067  45.819  1.00 15.45           N  
-ATOM  20688  CA  VAL M 105      71.272  38.990  45.273  1.00 14.94           C  
-ATOM  20689  C   VAL M 105      70.564  39.657  46.430  1.00 15.35           C  
-ATOM  20690  O   VAL M 105      70.077  38.962  47.343  1.00 14.95           O  
-ATOM  20691  CB  VAL M 105      70.253  38.274  44.367  1.00 15.38           C  
-ATOM  20692  CG1 VAL M 105      69.203  39.229  43.818  1.00 14.38           C  
-ATOM  20693  CG2 VAL M 105      70.963  37.583  43.200  1.00 15.34           C  
-ATOM  20694  N   VAL M 106      70.557  41.001  46.422  1.00 15.03           N  
-ATOM  20695  CA  VAL M 106      69.893  41.798  47.467  1.00 14.88           C  
-ATOM  20696  C   VAL M 106      68.481  42.121  46.975  1.00 14.80           C  
-ATOM  20697  O   VAL M 106      68.261  42.205  45.773  1.00 14.27           O  
-ATOM  20698  CB  VAL M 106      70.672  43.113  47.763  1.00 15.07           C  
-ATOM  20699  CG1 VAL M 106      70.071  43.864  48.966  1.00 13.88           C  
-ATOM  20700  CG2 VAL M 106      72.116  42.843  47.987  1.00 15.43           C  
-ATOM  20701  N   SER M 107      67.544  42.307  47.904  1.00 15.03           N  
-ATOM  20702  CA  SER M 107      66.126  42.513  47.560  1.00 15.76           C  
-ATOM  20703  C   SER M 107      65.820  43.723  46.671  1.00 16.05           C  
-ATOM  20704  O   SER M 107      64.788  43.738  46.044  1.00 16.15           O  
-ATOM  20705  CB  SER M 107      65.275  42.570  48.824  1.00 15.35           C  
-ATOM  20706  OG  SER M 107      65.515  43.780  49.499  1.00 15.51           O  
-ATOM  20707  N   ASP M 108      66.705  44.713  46.612  1.00 16.82           N  
-ATOM  20708  CA  ASP M 108      66.545  45.817  45.659  1.00 18.22           C  
-ATOM  20709  C   ASP M 108      67.065  45.499  44.237  1.00 17.94           C  
-ATOM  20710  O   ASP M 108      66.959  46.322  43.340  1.00 18.12           O  
-ATOM  20711  CB  ASP M 108      67.151  47.124  46.201  1.00 18.51           C  
-ATOM  20712  CG  ASP M 108      68.661  47.063  46.364  1.00 21.49           C  
-ATOM  20713  OD1 ASP M 108      69.307  46.033  46.015  1.00 23.82           O  
-ATOM  20714  OD2 ASP M 108      69.317  48.016  46.830  1.00 24.68           O  
-ATOM  20715  N   GLY M 109      67.601  44.297  44.044  1.00 17.81           N  
-ATOM  20716  CA  GLY M 109      68.073  43.865  42.746  1.00 17.88           C  
-ATOM  20717  C   GLY M 109      69.566  44.038  42.536  1.00 18.00           C  
-ATOM  20718  O   GLY M 109      70.073  43.788  41.423  1.00 18.13           O  
-ATOM  20719  N   GLU M 110      70.281  44.473  43.574  1.00 17.79           N  
-ATOM  20720  CA  GLU M 110      71.752  44.523  43.478  1.00 18.84           C  
-ATOM  20721  C   GLU M 110      72.325  43.106  43.461  1.00 17.96           C  
-ATOM  20722  O   GLU M 110      71.885  42.235  44.216  1.00 17.63           O  
-ATOM  20723  CB  GLU M 110      72.403  45.310  44.601  1.00 19.18           C  
-ATOM  20724  CG  GLU M 110      72.138  46.818  44.590  1.00 24.64           C  
-ATOM  20725  CD  GLU M 110      72.572  47.503  43.299  1.00 31.02           C  
-ATOM  20726  OE1 GLU M 110      73.759  47.371  42.896  1.00 33.47           O  
-ATOM  20727  OE2 GLU M 110      71.716  48.184  42.696  1.00 34.15           O  
-ATOM  20728  N   VAL M 111      73.294  42.883  42.589  1.00 17.05           N  
-ATOM  20729  CA  VAL M 111      73.908  41.576  42.504  1.00 16.47           C  
-ATOM  20730  C   VAL M 111      75.431  41.687  42.761  1.00 16.92           C  
-ATOM  20731  O   VAL M 111      76.105  42.549  42.213  1.00 15.90           O  
-ATOM  20732  CB  VAL M 111      73.661  40.919  41.105  1.00 16.49           C  
-ATOM  20733  CG1 VAL M 111      74.174  39.493  41.106  1.00 15.64           C  
-ATOM  20734  CG2 VAL M 111      72.174  40.963  40.692  1.00 14.58           C  
-ATOM  20735  N   LEU M 112      75.968  40.768  43.558  1.00 16.75           N  
-ATOM  20736  CA  LEU M 112      77.403  40.598  43.675  1.00 16.89           C  
-ATOM  20737  C   LEU M 112      77.825  39.183  43.250  1.00 16.98           C  
-ATOM  20738  O   LEU M 112      77.408  38.188  43.844  1.00 15.94           O  
-ATOM  20739  CB  LEU M 112      77.835  40.857  45.124  1.00 17.01           C  
-ATOM  20740  CG  LEU M 112      79.280  40.518  45.525  1.00 19.13           C  
-ATOM  20741  CD1 LEU M 112      80.303  41.342  44.742  1.00 16.58           C  
-ATOM  20742  CD2 LEU M 112      79.458  40.746  47.053  1.00 20.24           C  
-ATOM  20743  N   TYR M 113      78.635  39.105  42.202  1.00 17.02           N  
-ATOM  20744  CA  TYR M 113      79.194  37.847  41.765  1.00 17.71           C  
-ATOM  20745  C   TYR M 113      80.696  37.976  41.883  1.00 17.79           C  
-ATOM  20746  O   TYR M 113      81.295  38.835  41.215  1.00 17.96           O  
-ATOM  20747  CB  TYR M 113      78.766  37.511  40.325  1.00 17.99           C  
-ATOM  20748  CG  TYR M 113      79.288  36.170  39.844  1.00 19.06           C  
-ATOM  20749  CD1 TYR M 113      79.245  35.039  40.666  1.00 20.48           C  
-ATOM  20750  CD2 TYR M 113      79.873  36.045  38.605  1.00 20.39           C  
-ATOM  20751  CE1 TYR M 113      79.758  33.812  40.247  1.00 22.04           C  
-ATOM  20752  CE2 TYR M 113      80.396  34.801  38.175  1.00 20.28           C  
-ATOM  20753  CZ  TYR M 113      80.333  33.717  38.997  1.00 22.75           C  
-ATOM  20754  OH  TYR M 113      80.842  32.506  38.561  1.00 27.36           O  
-ATOM  20755  N   MET M 114      81.301  37.136  42.722  1.00 17.23           N  
-ATOM  20756  CA  MET M 114      82.737  37.204  43.008  1.00 17.63           C  
-ATOM  20757  C   MET M 114      83.443  35.823  42.926  1.00 17.28           C  
-ATOM  20758  O   MET M 114      83.796  35.233  43.939  1.00 16.65           O  
-ATOM  20759  CB  MET M 114      82.963  37.830  44.397  1.00 18.26           C  
-ATOM  20760  CG  MET M 114      84.405  38.347  44.645  1.00 21.17           C  
-ATOM  20761  SD  MET M 114      84.584  39.531  46.062  1.00 28.12           S  
-ATOM  20762  CE  MET M 114      82.979  39.766  46.511  1.00 26.78           C  
-ATOM  20763  N   PRO M 115      83.651  35.305  41.723  1.00 16.83           N  
-ATOM  20764  CA  PRO M 115      84.324  34.005  41.577  1.00 17.03           C  
-ATOM  20765  C   PRO M 115      85.844  34.165  41.784  1.00 17.11           C  
-ATOM  20766  O   PRO M 115      86.400  35.229  41.495  1.00 16.81           O  
-ATOM  20767  CB  PRO M 115      84.022  33.611  40.131  1.00 16.54           C  
-ATOM  20768  CG  PRO M 115      83.870  34.923  39.418  1.00 16.80           C  
-ATOM  20769  CD  PRO M 115      83.269  35.880  40.424  1.00 16.93           C  
-ATOM  20770  N   SER M 116      86.482  33.130  42.310  1.00 16.90           N  
-ATOM  20771  CA  SER M 116      87.931  33.059  42.293  1.00 17.13           C  
-ATOM  20772  C   SER M 116      88.296  32.442  40.953  1.00 17.31           C  
-ATOM  20773  O   SER M 116      87.747  31.416  40.569  1.00 17.22           O  
-ATOM  20774  CB  SER M 116      88.436  32.186  43.431  1.00 17.15           C  
-ATOM  20775  OG  SER M 116      89.845  32.269  43.540  1.00 18.99           O  
-ATOM  20776  N   ILE M 117      89.214  33.065  40.229  1.00 17.55           N  
-ATOM  20777  CA  ILE M 117      89.521  32.637  38.883  1.00 17.78           C  
-ATOM  20778  C   ILE M 117      91.009  32.441  38.767  1.00 17.83           C  
-ATOM  20779  O   ILE M 117      91.783  33.236  39.293  1.00 18.15           O  
-ATOM  20780  CB  ILE M 117      88.998  33.696  37.860  1.00 18.60           C  
-ATOM  20781  CG1 ILE M 117      87.453  33.665  37.806  1.00 19.97           C  
-ATOM  20782  CG2 ILE M 117      89.624  33.483  36.477  1.00 17.81           C  
-ATOM  20783  CD1 ILE M 117      86.827  34.590  36.834  1.00 20.93           C  
-ATOM  20784  N   ARG M 118      91.407  31.352  38.127  1.00 17.82           N  
-ATOM  20785  CA  ARG M 118      92.780  31.142  37.713  1.00 18.04           C  
-ATOM  20786  C   ARG M 118      92.849  31.268  36.196  1.00 17.74           C  
-ATOM  20787  O   ARG M 118      92.085  30.640  35.489  1.00 17.69           O  
-ATOM  20788  CB  ARG M 118      93.289  29.751  38.113  1.00 18.35           C  
-ATOM  20789  CG  ARG M 118      94.792  29.579  37.818  1.00 19.55           C  
-ATOM  20790  CD  ARG M 118      95.348  28.202  38.130  1.00 23.32           C  
-ATOM  20791  NE  ARG M 118      96.764  28.142  37.789  1.00 26.66           N  
-ATOM  20792  CZ  ARG M 118      97.655  27.337  38.354  1.00 27.93           C  
-ATOM  20793  NH1 ARG M 118      97.311  26.495  39.313  1.00 27.66           N  
-ATOM  20794  NH2 ARG M 118      98.919  27.389  37.964  1.00 27.65           N  
-ATOM  20795  N   GLN M 119      93.785  32.063  35.697  1.00 17.52           N  
-ATOM  20796  CA  GLN M 119      93.803  32.388  34.274  1.00 16.95           C  
-ATOM  20797  C   GLN M 119      95.196  32.860  33.899  1.00 16.44           C  
-ATOM  20798  O   GLN M 119      95.895  33.437  34.710  1.00 16.58           O  
-ATOM  20799  CB  GLN M 119      92.731  33.442  33.946  1.00 17.29           C  
-ATOM  20800  CG  GLN M 119      92.499  33.651  32.413  1.00 17.66           C  
-ATOM  20801  CD  GLN M 119      91.238  34.387  32.111  1.00 18.16           C  
-ATOM  20802  OE1 GLN M 119      90.780  35.217  32.894  1.00 20.17           O  
-ATOM  20803  NE2 GLN M 119      90.667  34.100  30.987  1.00 18.10           N  
-ATOM  20804  N   ARG M 120      95.627  32.573  32.682  1.00 15.62           N  
-ATOM  20805  CA  ARG M 120      96.962  33.010  32.231  1.00 15.54           C  
-ATOM  20806  C   ARG M 120      96.790  34.169  31.246  1.00 14.33           C  
-ATOM  20807  O   ARG M 120      95.808  34.196  30.456  1.00 13.89           O  
-ATOM  20808  CB  ARG M 120      97.781  31.868  31.606  1.00 15.30           C  
-ATOM  20809  CG  ARG M 120      97.447  30.474  32.173  1.00 21.85           C  
-ATOM  20810  CD  ARG M 120      98.340  29.252  31.682  1.00 27.53           C  
-ATOM  20811  NE  ARG M 120      97.457  28.265  31.035  1.00 33.34           N  
-ATOM  20812  CZ  ARG M 120      97.737  27.542  29.932  1.00 35.21           C  
-ATOM  20813  NH1 ARG M 120      98.932  27.602  29.317  1.00 35.90           N  
-ATOM  20814  NH2 ARG M 120      96.799  26.739  29.445  1.00 32.84           N  
-ATOM  20815  N   PHE M 121      97.755  35.089  31.271  1.00 13.66           N  
-ATOM  20816  CA  PHE M 121      97.703  36.307  30.484  1.00 13.61           C  
-ATOM  20817  C   PHE M 121      98.994  36.586  29.741  1.00 14.59           C  
-ATOM  20818  O   PHE M 121     100.094  36.173  30.148  1.00 12.86           O  
-ATOM  20819  CB  PHE M 121      97.356  37.496  31.377  1.00 12.99           C  
-ATOM  20820  CG  PHE M 121      96.067  37.321  32.155  1.00 12.17           C  
-ATOM  20821  CD1 PHE M 121      96.061  36.686  33.393  1.00 15.89           C  
-ATOM  20822  CD2 PHE M 121      94.885  37.762  31.649  1.00  6.83           C  
-ATOM  20823  CE1 PHE M 121      94.873  36.539  34.107  1.00 17.60           C  
-ATOM  20824  CE2 PHE M 121      93.711  37.630  32.338  1.00  8.24           C  
-ATOM  20825  CZ  PHE M 121      93.692  37.024  33.583  1.00 15.16           C  
-ATOM  20826  N   SER M 122      98.834  37.294  28.633  1.00 15.78           N  
-ATOM  20827  CA  SER M 122      99.946  37.762  27.862  1.00 16.73           C  
-ATOM  20828  C   SER M 122     100.091  39.208  28.267  1.00 17.46           C  
-ATOM  20829  O   SER M 122      99.149  39.989  28.109  1.00 16.66           O  
-ATOM  20830  CB  SER M 122      99.648  37.676  26.363  1.00 16.58           C  
-ATOM  20831  OG  SER M 122     100.545  38.494  25.612  1.00 16.56           O  
-ATOM  20832  N   CYS M 123     101.257  39.556  28.816  1.00 18.23           N  
-ATOM  20833  CA  CYS M 123     101.479  40.916  29.287  1.00 20.10           C  
-ATOM  20834  C   CYS M 123     102.955  41.153  29.558  1.00 19.81           C  
-ATOM  20835  O   CYS M 123     103.764  40.226  29.435  1.00 19.76           O  
-ATOM  20836  CB  CYS M 123     100.624  41.221  30.535  1.00 20.86           C  
-ATOM  20837  SG  CYS M 123     100.982  40.136  31.959  1.00 26.44           S  
-ATOM  20838  N   ASP M 124     103.293  42.393  29.917  1.00 19.79           N  
-ATOM  20839  CA  ASP M 124     104.689  42.819  30.087  1.00 19.81           C  
-ATOM  20840  C   ASP M 124     105.276  42.294  31.404  1.00 19.67           C  
-ATOM  20841  O   ASP M 124     105.012  42.831  32.491  1.00 19.44           O  
-ATOM  20842  CB  ASP M 124     104.778  44.345  30.018  1.00 19.61           C  
-ATOM  20843  CG  ASP M 124     106.201  44.859  29.794  1.00 20.57           C  
-ATOM  20844  OD1 ASP M 124     107.172  44.067  29.660  1.00 19.93           O  
-ATOM  20845  OD2 ASP M 124     106.450  46.082  29.730  1.00 21.60           O  
-ATOM  20846  N   VAL M 125     106.053  41.224  31.294  1.00 19.06           N  
-ATOM  20847  CA  VAL M 125     106.718  40.651  32.460  1.00 19.07           C  
-ATOM  20848  C   VAL M 125     108.136  41.247  32.707  1.00 18.75           C  
-ATOM  20849  O   VAL M 125     108.767  40.948  33.719  1.00 18.60           O  
-ATOM  20850  CB  VAL M 125     106.742  39.084  32.354  1.00 19.26           C  
-ATOM  20851  CG1 VAL M 125     107.431  38.455  33.532  1.00 19.32           C  
-ATOM  20852  CG2 VAL M 125     105.343  38.541  32.269  1.00 18.48           C  
-ATOM  20853  N   SER M 126     108.620  42.112  31.807  1.00 18.43           N  
-ATOM  20854  CA  SER M 126     109.962  42.694  31.970  1.00 18.64           C  
-ATOM  20855  C   SER M 126     110.113  43.449  33.298  1.00 18.24           C  
-ATOM  20856  O   SER M 126     109.202  44.133  33.744  1.00 17.82           O  
-ATOM  20857  CB  SER M 126     110.356  43.609  30.787  1.00 18.67           C  
-ATOM  20858  OG  SER M 126     109.527  44.753  30.731  1.00 18.74           O  
-ATOM  20859  N   GLY M 127     111.281  43.300  33.914  1.00 18.11           N  
-ATOM  20860  CA  GLY M 127     111.582  43.943  35.186  1.00 17.69           C  
-ATOM  20861  C   GLY M 127     111.022  43.253  36.425  1.00 17.35           C  
-ATOM  20862  O   GLY M 127     111.166  43.770  37.520  1.00 17.17           O  
-ATOM  20863  N   VAL M 128     110.403  42.088  36.257  1.00 17.07           N  
-ATOM  20864  CA  VAL M 128     109.832  41.342  37.376  1.00 17.19           C  
-ATOM  20865  C   VAL M 128     110.792  41.065  38.527  1.00 17.08           C  
-ATOM  20866  O   VAL M 128     110.385  41.125  39.670  1.00 17.15           O  
-ATOM  20867  CB  VAL M 128     109.112  40.025  36.933  1.00 17.23           C  
-ATOM  20868  CG1 VAL M 128     110.107  38.954  36.474  1.00 17.01           C  
-ATOM  20869  CG2 VAL M 128     108.250  39.490  38.063  1.00 17.11           C  
-ATOM  20870  N   ASP M 129     112.055  40.785  38.238  1.00 16.35           N  
-ATOM  20871  CA  ASP M 129     113.028  40.493  39.286  1.00 15.58           C  
-ATOM  20872  C   ASP M 129     113.972  41.690  39.600  1.00 15.69           C  
-ATOM  20873  O   ASP M 129     115.151  41.499  39.880  1.00 14.87           O  
-ATOM  20874  CB  ASP M 129     113.811  39.210  38.931  1.00 15.39           C  
-ATOM  20875  CG  ASP M 129     114.390  38.503  40.159  1.00 14.63           C  
-ATOM  20876  OD1 ASP M 129     113.878  38.733  41.280  1.00 12.38           O  
-ATOM  20877  OD2 ASP M 129     115.344  37.687  40.095  1.00 12.21           O  
-ATOM  20878  N   THR M 130     113.433  42.912  39.538  1.00 15.81           N  
-ATOM  20879  CA  THR M 130     114.152  44.164  39.874  1.00 15.48           C  
-ATOM  20880  C   THR M 130     113.260  44.892  40.860  1.00 15.89           C  
-ATOM  20881  O   THR M 130     112.072  44.554  40.982  1.00 14.69           O  
-ATOM  20882  CB  THR M 130     114.292  45.093  38.644  1.00 15.30           C  
-ATOM  20883  OG1 THR M 130     112.983  45.387  38.142  1.00 15.32           O  
-ATOM  20884  CG2 THR M 130     114.954  44.406  37.466  1.00 14.52           C  
-ATOM  20885  N   GLU M 131     113.800  45.923  41.504  1.00 15.98           N  
-ATOM  20886  CA  GLU M 131     113.084  46.680  42.538  1.00 17.54           C  
-ATOM  20887  C   GLU M 131     111.805  47.373  42.033  1.00 17.66           C  
-ATOM  20888  O   GLU M 131     110.808  47.431  42.745  1.00 17.56           O  
-ATOM  20889  CB  GLU M 131     114.025  47.717  43.196  1.00 18.04           C  
-ATOM  20890  CG  GLU M 131     113.996  47.721  44.729  1.00 21.03           C  
-ATOM  20891  CD  GLU M 131     115.102  48.584  45.349  1.00 25.19           C  
-ATOM  20892  OE1 GLU M 131     115.490  49.614  44.734  1.00 26.02           O  
-ATOM  20893  OE2 GLU M 131     115.603  48.233  46.451  1.00 26.60           O  
-ATOM  20894  N   SER M 132     111.856  47.914  40.819  1.00 18.29           N  
-ATOM  20895  CA  SER M 132     110.729  48.604  40.191  1.00 18.87           C  
-ATOM  20896  C   SER M 132     109.596  47.641  39.838  1.00 18.75           C  
-ATOM  20897  O   SER M 132     108.435  48.031  39.707  1.00 18.68           O  
-ATOM  20898  CB  SER M 132     111.190  49.220  38.865  1.00 18.65           C  
-ATOM  20899  OG  SER M 132     112.247  50.165  39.019  1.00 22.17           O  
-ATOM  20900  N   GLY M 133     109.975  46.386  39.615  1.00 18.76           N  
-ATOM  20901  CA  GLY M 133     109.055  45.320  39.291  1.00 18.04           C  
-ATOM  20902  C   GLY M 133     108.516  45.382  37.882  1.00 18.40           C  
-ATOM  20903  O   GLY M 133     108.900  46.254  37.103  1.00 17.66           O  
-ATOM  20904  N   ALA M 134     107.624  44.439  37.565  1.00 18.30           N  
-ATOM  20905  CA  ALA M 134     106.954  44.405  36.287  1.00 18.80           C  
-ATOM  20906  C   ALA M 134     105.555  44.995  36.414  1.00 19.40           C  
-ATOM  20907  O   ALA M 134     104.978  45.028  37.506  1.00 19.14           O  
-ATOM  20908  CB  ALA M 134     106.875  42.965  35.766  1.00 18.98           C  
-ATOM  20909  N   THR M 135     105.006  45.455  35.292  1.00 19.99           N  
-ATOM  20910  CA  THR M 135     103.633  45.939  35.261  1.00 20.91           C  
-ATOM  20911  C   THR M 135     102.843  45.160  34.239  1.00 21.50           C  
-ATOM  20912  O   THR M 135     103.010  45.384  33.039  1.00 21.74           O  
-ATOM  20913  CB  THR M 135     103.574  47.437  34.873  1.00 21.28           C  
-ATOM  20914  OG1 THR M 135     104.228  48.202  35.872  1.00 21.86           O  
-ATOM  20915  CG2 THR M 135     102.127  47.958  34.930  1.00 21.76           C  
-ATOM  20916  N   CYS M 136     101.988  44.258  34.718  1.00 21.62           N  
-ATOM  20917  CA  CYS M 136     101.121  43.465  33.876  1.00 22.68           C  
-ATOM  20918  C   CYS M 136      99.765  44.153  33.766  1.00 22.40           C  
-ATOM  20919  O   CYS M 136      99.103  44.433  34.764  1.00 22.73           O  
-ATOM  20920  CB  CYS M 136     100.940  42.061  34.468  1.00 22.26           C  
-ATOM  20921  SG  CYS M 136      99.885  40.962  33.500  1.00 26.96           S  
-ATOM  20922  N   ARG M 137      99.331  44.430  32.549  1.00 22.30           N  
-ATOM  20923  CA  ARG M 137      98.041  45.083  32.383  1.00 21.70           C  
-ATOM  20924  C   ARG M 137      96.991  44.086  31.865  1.00 20.62           C  
-ATOM  20925  O   ARG M 137      97.213  43.408  30.875  1.00 20.23           O  
-ATOM  20926  CB  ARG M 137      98.223  46.400  31.607  1.00 21.11           C  
-ATOM  20927  CG  ARG M 137      97.340  46.664  30.437  1.00 24.30           C  
-ATOM  20928  CD  ARG M 137      97.688  47.945  29.644  1.00 27.49           C  
-ATOM  20929  NE  ARG M 137      97.371  47.751  28.223  1.00 28.14           N  
-ATOM  20930  CZ  ARG M 137      98.259  47.388  27.300  1.00 30.33           C  
-ATOM  20931  NH1 ARG M 137      99.543  47.218  27.640  1.00 30.64           N  
-ATOM  20932  NH2 ARG M 137      97.871  47.205  26.031  1.00 30.41           N  
-ATOM  20933  N   ILE M 138      95.880  43.981  32.586  1.00 19.47           N  
-ATOM  20934  CA  ILE M 138      94.767  43.107  32.211  1.00 18.86           C  
-ATOM  20935  C   ILE M 138      93.572  43.952  31.776  1.00 18.67           C  
-ATOM  20936  O   ILE M 138      93.151  44.875  32.499  1.00 17.88           O  
-ATOM  20937  CB  ILE M 138      94.354  42.257  33.390  1.00 19.09           C  
-ATOM  20938  CG1 ILE M 138      95.559  41.401  33.857  1.00 19.17           C  
-ATOM  20939  CG2 ILE M 138      93.137  41.402  33.002  1.00 19.46           C  
-ATOM  20940  CD1 ILE M 138      95.301  40.698  35.179  1.00 22.58           C  
-ATOM  20941  N   LYS M 139      93.040  43.645  30.591  1.00 17.64           N  
-ATOM  20942  CA  LYS M 139      91.980  44.429  29.973  1.00 16.97           C  
-ATOM  20943  C   LYS M 139      90.684  43.608  29.993  1.00 16.97           C  
-ATOM  20944  O   LYS M 139      90.629  42.518  29.383  1.00 17.02           O  
-ATOM  20945  CB  LYS M 139      92.361  44.790  28.531  1.00 15.91           C  
-ATOM  20946  CG  LYS M 139      91.242  45.537  27.726  1.00 16.95           C  
-ATOM  20947  CD  LYS M 139      91.626  45.900  26.269  1.00 18.76           C  
-ATOM  20948  CE  LYS M 139      90.372  45.965  25.345  1.00 19.68           C  
-ATOM  20949  NZ  LYS M 139      90.680  46.083  23.865  1.00 16.52           N  
-ATOM  20950  N   ILE M 140      89.678  44.099  30.721  1.00 16.66           N  
-ATOM  20951  CA  ILE M 140      88.384  43.395  30.927  1.00 16.77           C  
-ATOM  20952  C   ILE M 140      87.237  44.265  30.410  1.00 16.20           C  
-ATOM  20953  O   ILE M 140      87.151  45.453  30.735  1.00 15.78           O  
-ATOM  20954  CB  ILE M 140      88.075  43.161  32.424  1.00 17.77           C  
-ATOM  20955  CG1 ILE M 140      89.212  42.464  33.148  1.00 19.11           C  
-ATOM  20956  CG2 ILE M 140      86.735  42.342  32.611  1.00 16.92           C  
-ATOM  20957  CD1 ILE M 140      89.109  40.950  33.093  1.00 24.34           C  
-ATOM  20958  N   GLY M 141      86.359  43.691  29.612  1.00 15.17           N  
-ATOM  20959  CA  GLY M 141      85.164  44.398  29.167  1.00 14.72           C  
-ATOM  20960  C   GLY M 141      84.112  43.441  28.671  1.00 14.63           C  
-ATOM  20961  O   GLY M 141      84.363  42.222  28.573  1.00 14.79           O  
-ATOM  20962  N   SER M 142      82.938  43.973  28.345  1.00 13.93           N  
-ATOM  20963  CA  SER M 142      81.899  43.144  27.767  1.00 13.91           C  
-ATOM  20964  C   SER M 142      82.345  42.701  26.396  1.00 13.85           C  
-ATOM  20965  O   SER M 142      82.799  43.535  25.595  1.00 12.99           O  
-ATOM  20966  CB  SER M 142      80.534  43.825  27.678  1.00 14.35           C  
-ATOM  20967  OG  SER M 142      79.719  43.188  26.667  1.00 14.42           O  
-ATOM  20968  N   TRP M 143      82.195  41.397  26.130  1.00 12.10           N  
-ATOM  20969  CA  TRP M 143      82.553  40.857  24.830  1.00 11.96           C  
-ATOM  20970  C   TRP M 143      81.643  41.341  23.688  1.00 11.89           C  
-ATOM  20971  O   TRP M 143      82.118  41.601  22.591  1.00 12.04           O  
-ATOM  20972  CB  TRP M 143      82.537  39.300  24.849  1.00 10.78           C  
-ATOM  20973  CG  TRP M 143      83.247  38.745  23.671  1.00 10.24           C  
-ATOM  20974  CD1 TRP M 143      82.711  37.993  22.646  1.00  8.75           C  
-ATOM  20975  CD2 TRP M 143      84.645  38.906  23.359  1.00 10.76           C  
-ATOM  20976  NE1 TRP M 143      83.691  37.717  21.723  1.00  8.06           N  
-ATOM  20977  CE2 TRP M 143      84.880  38.251  22.135  1.00  4.86           C  
-ATOM  20978  CE3 TRP M 143      85.724  39.545  23.994  1.00 10.17           C  
-ATOM  20979  CZ2 TRP M 143      86.115  38.240  21.526  1.00  6.97           C  
-ATOM  20980  CZ3 TRP M 143      86.976  39.508  23.378  1.00  9.89           C  
-ATOM  20981  CH2 TRP M 143      87.159  38.834  22.178  1.00  9.44           C  
-ATOM  20982  N   THR M 144      80.334  41.396  23.926  1.00 11.24           N  
-ATOM  20983  CA  THR M 144      79.394  41.683  22.852  1.00 11.20           C  
-ATOM  20984  C   THR M 144      78.444  42.842  23.099  1.00 11.12           C  
-ATOM  20985  O   THR M 144      77.568  43.074  22.270  1.00 11.19           O  
-ATOM  20986  CB  THR M 144      78.489  40.489  22.560  1.00 11.67           C  
-ATOM  20987  OG1 THR M 144      77.571  40.392  23.637  1.00 10.05           O  
-ATOM  20988  CG2 THR M 144      79.250  39.137  22.608  1.00 10.86           C  
-ATOM  20989  N   HIS M 145      78.581  43.520  24.224  1.00 10.97           N  
-ATOM  20990  CA  HIS M 145      77.736  44.650  24.554  1.00 11.15           C  
-ATOM  20991  C   HIS M 145      78.498  45.966  24.506  1.00 11.06           C  
-ATOM  20992  O   HIS M 145      79.469  46.170  25.244  1.00 11.37           O  
-ATOM  20993  CB  HIS M 145      77.084  44.449  25.912  1.00  9.88           C  
-ATOM  20994  CG  HIS M 145      76.046  43.362  25.936  1.00 11.40           C  
-ATOM  20995  ND1 HIS M 145      74.790  43.511  25.385  1.00  9.95           N  
-ATOM  20996  CD2 HIS M 145      76.064  42.124  26.497  1.00 11.29           C  
-ATOM  20997  CE1 HIS M 145      74.081  42.411  25.585  1.00 11.47           C  
-ATOM  20998  NE2 HIS M 145      74.829  41.552  26.262  1.00 10.61           N  
-ATOM  20999  N   HIS M 146      78.047  46.868  23.638  1.00 11.22           N  
-ATOM  21000  CA  HIS M 146      78.705  48.161  23.455  1.00 10.71           C  
-ATOM  21001  C   HIS M 146      78.319  49.199  24.513  1.00 11.42           C  
-ATOM  21002  O   HIS M 146      77.486  48.926  25.374  1.00 10.90           O  
-ATOM  21003  CB  HIS M 146      78.432  48.648  22.043  1.00 11.49           C  
-ATOM  21004  CG  HIS M 146      76.980  48.819  21.721  1.00 11.55           C  
-ATOM  21005  ND1 HIS M 146      76.170  49.707  22.398  1.00 11.39           N  
-ATOM  21006  CD2 HIS M 146      76.200  48.240  20.777  1.00  7.72           C  
-ATOM  21007  CE1 HIS M 146      74.940  49.636  21.915  1.00 12.93           C  
-ATOM  21008  NE2 HIS M 146      74.935  48.762  20.921  1.00 13.42           N  
-ATOM  21009  N   SER M 147      78.919  50.408  24.429  1.00 11.52           N  
-ATOM  21010  CA  SER M 147      78.804  51.412  25.515  1.00 11.83           C  
-ATOM  21011  C   SER M 147      77.375  51.819  25.848  1.00 11.98           C  
-ATOM  21012  O   SER M 147      77.111  52.267  26.941  1.00 13.14           O  
-ATOM  21013  CB  SER M 147      79.700  52.650  25.260  1.00 10.19           C  
-ATOM  21014  OG  SER M 147      79.305  53.359  24.081  1.00  5.74           O  
-ATOM  21015  N   ARG M 148      76.428  51.622  24.943  1.00 12.43           N  
-ATOM  21016  CA  ARG M 148      75.036  51.972  25.260  1.00 12.56           C  
-ATOM  21017  C   ARG M 148      74.297  50.873  26.025  1.00 12.48           C  
-ATOM  21018  O   ARG M 148      73.163  51.075  26.493  1.00 12.38           O  
-ATOM  21019  CB  ARG M 148      74.253  52.328  24.005  1.00 11.65           C  
-ATOM  21020  CG  ARG M 148      74.787  53.587  23.324  1.00 11.69           C  
-ATOM  21021  CD  ARG M 148      73.978  53.978  22.101  1.00 12.04           C  
-ATOM  21022  NE  ARG M 148      73.869  52.861  21.155  1.00 12.50           N  
-ATOM  21023  CZ  ARG M 148      72.734  52.385  20.659  1.00 14.07           C  
-ATOM  21024  NH1 ARG M 148      71.547  52.886  21.011  1.00  8.98           N  
-ATOM  21025  NH2 ARG M 148      72.792  51.400  19.783  1.00 15.37           N  
-ATOM  21026  N   GLU M 149      74.935  49.720  26.124  1.00 12.27           N  
-ATOM  21027  CA  GLU M 149      74.317  48.560  26.776  1.00 12.65           C  
-ATOM  21028  C   GLU M 149      75.005  48.202  28.075  1.00 12.25           C  
-ATOM  21029  O   GLU M 149      74.345  47.931  29.062  1.00 11.93           O  
-ATOM  21030  CB  GLU M 149      74.192  47.385  25.827  1.00 11.70           C  
-ATOM  21031  CG  GLU M 149      73.007  47.569  24.867  1.00 12.92           C  
-ATOM  21032  CD  GLU M 149      73.090  46.686  23.621  1.00 14.55           C  
-ATOM  21033  OE1 GLU M 149      73.973  45.813  23.559  1.00 19.80           O  
-ATOM  21034  OE2 GLU M 149      72.253  46.842  22.704  1.00 14.63           O  
-ATOM  21035  N   ILE M 150      76.328  48.209  28.081  1.00 12.76           N  
-ATOM  21036  CA  ILE M 150      77.080  47.993  29.313  1.00 13.30           C  
-ATOM  21037  C   ILE M 150      78.179  49.041  29.450  1.00 14.50           C  
-ATOM  21038  O   ILE M 150      78.987  49.228  28.543  1.00 14.63           O  
-ATOM  21039  CB  ILE M 150      77.711  46.607  29.356  1.00 12.72           C  
-ATOM  21040  CG1 ILE M 150      76.644  45.531  29.635  1.00 12.58           C  
-ATOM  21041  CG2 ILE M 150      78.890  46.587  30.387  1.00 10.71           C  
-ATOM  21042  CD1 ILE M 150      77.173  44.157  29.582  1.00 15.98           C  
-ATOM  21043  N   SER M 151      78.227  49.687  30.606  1.00 15.53           N  
-ATOM  21044  CA  SER M 151      79.388  50.463  30.974  1.00 17.77           C  
-ATOM  21045  C   SER M 151      80.162  49.729  32.058  1.00 18.92           C  
-ATOM  21046  O   SER M 151      79.568  49.117  32.915  1.00 19.14           O  
-ATOM  21047  CB  SER M 151      78.987  51.895  31.403  1.00 17.12           C  
-ATOM  21048  OG  SER M 151      78.274  51.876  32.624  1.00 19.43           O  
-ATOM  21049  N   VAL M 152      81.484  49.770  31.997  1.00 20.46           N  
-ATOM  21050  CA  VAL M 152      82.303  49.153  33.023  1.00 22.60           C  
-ATOM  21051  C   VAL M 152      83.061  50.228  33.810  1.00 24.63           C  
-ATOM  21052  O   VAL M 152      83.691  51.105  33.231  1.00 24.55           O  
-ATOM  21053  CB  VAL M 152      83.303  48.133  32.414  1.00 23.38           C  
-ATOM  21054  CG1 VAL M 152      82.562  46.992  31.697  1.00 19.93           C  
-ATOM  21055  CG2 VAL M 152      84.260  48.838  31.447  1.00 23.13           C  
-ATOM  21056  N   ASP M 153      82.953  50.208  35.128  1.00 27.30           N  
-ATOM  21057  CA  ASP M 153      83.763  51.108  35.953  1.00 30.99           C  
-ATOM  21058  C   ASP M 153      84.501  50.314  37.011  1.00 32.16           C  
-ATOM  21059  O   ASP M 153      84.040  49.256  37.448  1.00 31.34           O  
-ATOM  21060  CB  ASP M 153      82.932  52.220  36.632  1.00 30.67           C  
-ATOM  21061  CG  ASP M 153      81.794  52.737  35.755  1.00 35.72           C  
-ATOM  21062  OD1 ASP M 153      82.050  53.106  34.579  1.00 40.56           O  
-ATOM  21063  OD2 ASP M 153      80.595  52.818  36.154  1.00 39.37           O  
-ATOM  21064  N   PRO M 154      85.645  50.829  37.436  1.00 34.24           N  
-ATOM  21065  CA  PRO M 154      86.300  50.280  38.624  1.00 36.41           C  
-ATOM  21066  C   PRO M 154      85.375  50.428  39.829  1.00 38.76           C  
-ATOM  21067  O   PRO M 154      84.655  51.426  39.944  1.00 39.48           O  
-ATOM  21068  CB  PRO M 154      87.545  51.157  38.776  1.00 36.15           C  
-ATOM  21069  CG  PRO M 154      87.782  51.702  37.405  1.00 34.81           C  
-ATOM  21070  CD  PRO M 154      86.404  51.946  36.843  1.00 34.14           C  
-ATOM  21071  N   THR M 155      85.378  49.414  40.686  1.00 41.28           N  
-ATOM  21072  CA  THR M 155      84.670  49.420  41.966  1.00 43.77           C  
-ATOM  21073  C   THR M 155      84.908  50.698  42.753  1.00 45.03           C  
-ATOM  21074  O   THR M 155      85.951  51.350  42.618  1.00 45.27           O  
-ATOM  21075  CB  THR M 155      85.089  48.164  42.805  1.00 44.01           C  
-ATOM  21076  OG1 THR M 155      84.443  46.993  42.279  1.00 43.82           O  
-ATOM  21077  CG2 THR M 155      84.577  48.234  44.236  1.00 44.66           C  
-ATOM  21078  N   THR M 156      83.913  51.035  43.572  1.00 47.41           N  
-ATOM  21079  CA  THR M 156      83.879  52.253  44.385  1.00 48.86           C  
-ATOM  21080  C   THR M 156      84.878  52.223  45.549  1.00 50.45           C  
-ATOM  21081  O   THR M 156      85.663  53.167  45.733  1.00 50.88           O  
-ATOM  21082  CB  THR M 156      82.435  52.467  44.907  1.00 48.83           C  
-ATOM  21083  OG1 THR M 156      81.534  52.498  43.792  1.00 47.61           O  
-ATOM  21084  CG2 THR M 156      82.261  53.858  45.561  1.00 48.49           C  
-ATOM  21085  N   GLU M 157      84.836  51.139  46.327  1.00 51.97           N  
-ATOM  21086  CA  GLU M 157      85.654  50.989  47.541  1.00 53.36           C  
-ATOM  21087  C   GLU M 157      87.150  50.793  47.210  1.00 53.49           C  
-ATOM  21088  O   GLU M 157      87.488  50.314  46.121  1.00 53.68           O  
-ATOM  21089  CB  GLU M 157      85.102  49.846  48.432  1.00 53.84           C  
-ATOM  21090  CG  GLU M 157      85.105  48.442  47.789  1.00 55.53           C  
-ATOM  21091  CD  GLU M 157      83.854  47.629  48.111  1.00 56.61           C  
-ATOM  21092  OE1 GLU M 157      83.814  46.965  49.180  1.00 56.70           O  
-ATOM  21093  OE2 GLU M 157      82.906  47.661  47.295  1.00 56.35           O  
-ATOM  21094  N   ASN M 158      88.031  51.176  48.143  1.00 53.54           N  
-ATOM  21095  CA  ASN M 158      89.484  51.125  47.915  1.00 53.31           C  
-ATOM  21096  C   ASN M 158      90.302  50.647  49.141  1.00 52.71           C  
-ATOM  21097  O   ASN M 158      90.596  51.428  50.068  1.00 52.48           O  
-ATOM  21098  CB  ASN M 158      90.001  52.488  47.405  1.00 53.80           C  
-ATOM  21099  CG  ASN M 158      89.848  52.657  45.893  1.00 54.33           C  
-ATOM  21100  OD1 ASN M 158      88.741  52.859  45.385  1.00 54.98           O  
-ATOM  21101  ND2 ASN M 158      90.966  52.590  45.172  1.00 53.99           N  
-ATOM  21102  N   SER M 159      90.670  49.363  49.131  1.00 51.54           N  
-ATOM  21103  CA  SER M 159      91.446  48.767  50.224  1.00 50.36           C  
-ATOM  21104  C   SER M 159      92.898  48.463  49.814  1.00 49.21           C  
-ATOM  21105  O   SER M 159      93.294  48.687  48.667  1.00 49.27           O  
-ATOM  21106  CB  SER M 159      90.750  47.507  50.760  1.00 50.49           C  
-ATOM  21107  OG  SER M 159      90.050  46.814  49.732  1.00 51.10           O  
-ATOM  21108  N   ASP M 160      93.689  47.979  50.766  1.00 47.61           N  
-ATOM  21109  CA  ASP M 160      95.040  47.504  50.498  1.00 46.37           C  
-ATOM  21110  C   ASP M 160      95.029  46.494  49.322  1.00 45.18           C  
-ATOM  21111  O   ASP M 160      94.177  45.585  49.282  1.00 45.12           O  
-ATOM  21112  CB  ASP M 160      95.607  46.872  51.783  1.00 46.62           C  
-ATOM  21113  CG  ASP M 160      97.130  46.869  51.828  1.00 47.50           C  
-ATOM  21114  OD1 ASP M 160      97.740  45.991  51.166  1.00 46.88           O  
-ATOM  21115  OD2 ASP M 160      97.797  47.693  52.514  1.00 47.42           O  
-ATOM  21116  N   ASP M 161      95.950  46.675  48.366  1.00 43.56           N  
-ATOM  21117  CA  ASP M 161      96.118  45.765  47.214  1.00 42.39           C  
-ATOM  21118  C   ASP M 161      96.279  44.291  47.622  1.00 41.45           C  
-ATOM  21119  O   ASP M 161      95.586  43.402  47.121  1.00 41.20           O  
-ATOM  21120  CB  ASP M 161      97.328  46.171  46.345  1.00 42.37           C  
-ATOM  21121  CG  ASP M 161      97.324  47.648  45.949  1.00 41.69           C  
-ATOM  21122  OD1 ASP M 161      96.296  48.142  45.435  1.00 38.59           O  
-ATOM  21123  OD2 ASP M 161      98.328  48.388  46.111  1.00 42.97           O  
-ATOM  21124  N   SER M 162      97.203  44.064  48.548  1.00 40.43           N  
-ATOM  21125  CA  SER M 162      97.552  42.726  49.046  1.00 39.36           C  
-ATOM  21126  C   SER M 162      96.679  42.210  50.228  1.00 38.28           C  
-ATOM  21127  O   SER M 162      97.119  41.322  50.981  1.00 37.87           O  
-ATOM  21128  CB  SER M 162      99.045  42.696  49.448  1.00 39.26           C  
-ATOM  21129  OG  SER M 162      99.804  43.670  48.754  1.00 38.66           O  
-ATOM  21130  N   GLU M 163      95.457  42.738  50.385  1.00 36.46           N  
-ATOM  21131  CA  GLU M 163      94.662  42.391  51.564  1.00 34.85           C  
-ATOM  21132  C   GLU M 163      94.336  40.923  51.558  1.00 32.79           C  
-ATOM  21133  O   GLU M 163      94.157  40.315  52.623  1.00 32.68           O  
-ATOM  21134  CB  GLU M 163      93.371  43.213  51.682  1.00 35.71           C  
-ATOM  21135  CG  GLU M 163      92.917  43.424  53.136  1.00 37.72           C  
-ATOM  21136  CD  GLU M 163      93.523  44.672  53.811  1.00 41.01           C  
-ATOM  21137  OE1 GLU M 163      94.650  44.594  54.384  1.00 40.07           O  
-ATOM  21138  OE2 GLU M 163      92.855  45.741  53.787  1.00 41.74           O  
-ATOM  21139  N   TYR M 164      94.258  40.353  50.356  1.00 29.67           N  
-ATOM  21140  CA  TYR M 164      94.029  38.920  50.225  1.00 27.05           C  
-ATOM  21141  C   TYR M 164      95.151  38.200  49.481  1.00 24.63           C  
-ATOM  21142  O   TYR M 164      95.046  37.005  49.246  1.00 23.51           O  
-ATOM  21143  CB  TYR M 164      92.660  38.637  49.598  1.00 27.49           C  
-ATOM  21144  CG  TYR M 164      91.568  39.464  50.221  1.00 28.78           C  
-ATOM  21145  CD1 TYR M 164      91.357  39.432  51.596  1.00 29.33           C  
-ATOM  21146  CD2 TYR M 164      90.748  40.291  49.437  1.00 29.70           C  
-ATOM  21147  CE1 TYR M 164      90.369  40.207  52.190  1.00 31.85           C  
-ATOM  21148  CE2 TYR M 164      89.740  41.071  50.022  1.00 32.07           C  
-ATOM  21149  CZ  TYR M 164      89.565  41.017  51.410  1.00 32.55           C  
-ATOM  21150  OH  TYR M 164      88.600  41.766  52.032  1.00 34.32           O  
-ATOM  21151  N   PHE M 165      96.234  38.919  49.150  1.00 22.15           N  
-ATOM  21152  CA  PHE M 165      97.336  38.309  48.415  1.00 20.13           C  
-ATOM  21153  C   PHE M 165      98.075  37.358  49.339  1.00 19.29           C  
-ATOM  21154  O   PHE M 165      98.364  37.699  50.471  1.00 18.92           O  
-ATOM  21155  CB  PHE M 165      98.271  39.339  47.793  1.00 19.36           C  
-ATOM  21156  CG  PHE M 165      99.227  38.757  46.799  1.00 18.66           C  
-ATOM  21157  CD1 PHE M 165      98.789  38.365  45.547  1.00 17.81           C  
-ATOM  21158  CD2 PHE M 165     100.582  38.586  47.123  1.00 17.51           C  
-ATOM  21159  CE1 PHE M 165      99.682  37.832  44.606  1.00 18.10           C  
-ATOM  21160  CE2 PHE M 165     101.473  38.051  46.186  1.00 17.55           C  
-ATOM  21161  CZ  PHE M 165     101.017  37.672  44.938  1.00 17.24           C  
-ATOM  21162  N   SER M 166      98.341  36.151  48.853  1.00 18.29           N  
-ATOM  21163  CA  SER M 166      99.059  35.151  49.644  1.00 17.57           C  
-ATOM  21164  C   SER M 166     100.454  35.597  50.129  1.00 17.07           C  
-ATOM  21165  O   SER M 166     101.289  36.026  49.349  1.00 15.96           O  
-ATOM  21166  CB  SER M 166      99.180  33.858  48.844  1.00 17.17           C  
-ATOM  21167  OG  SER M 166      99.831  32.875  49.591  1.00 16.70           O  
-ATOM  21168  N   GLN M 167     100.689  35.443  51.426  1.00 17.10           N  
-ATOM  21169  CA  GLN M 167     102.009  35.690  52.015  1.00 17.91           C  
-ATOM  21170  C   GLN M 167     103.037  34.606  51.641  1.00 17.56           C  
-ATOM  21171  O   GLN M 167     104.224  34.776  51.887  1.00 17.24           O  
-ATOM  21172  CB  GLN M 167     101.905  35.818  53.530  1.00 18.05           C  
-ATOM  21173  CG  GLN M 167     101.607  34.500  54.187  1.00 19.70           C  
-ATOM  21174  CD  GLN M 167     101.374  34.602  55.687  1.00 22.72           C  
-ATOM  21175  OE1 GLN M 167     102.332  34.755  56.476  1.00 22.63           O  
-ATOM  21176  NE2 GLN M 167     100.104  34.469  56.093  1.00 22.23           N  
-ATOM  21177  N   TYR M 168     102.574  33.528  51.006  1.00 17.35           N  
-ATOM  21178  CA  TYR M 168     103.447  32.421  50.606  1.00 17.18           C  
-ATOM  21179  C   TYR M 168     103.814  32.438  49.116  1.00 17.00           C  
-ATOM  21180  O   TYR M 168     104.633  31.638  48.650  1.00 16.91           O  
-ATOM  21181  CB  TYR M 168     102.821  31.090  51.007  1.00 17.42           C  
-ATOM  21182  CG  TYR M 168     102.499  31.034  52.479  1.00 17.31           C  
-ATOM  21183  CD1 TYR M 168     103.505  31.179  53.427  1.00 17.10           C  
-ATOM  21184  CD2 TYR M 168     101.178  30.890  52.924  1.00 17.33           C  
-ATOM  21185  CE1 TYR M 168     103.218  31.147  54.782  1.00 18.09           C  
-ATOM  21186  CE2 TYR M 168     100.877  30.860  54.276  1.00 16.77           C  
-ATOM  21187  CZ  TYR M 168     101.900  30.991  55.202  1.00 17.76           C  
-ATOM  21188  OH  TYR M 168     101.623  30.962  56.555  1.00 19.03           O  
-ATOM  21189  N   SER M 169     103.221  33.368  48.374  1.00 16.10           N  
-ATOM  21190  CA  SER M 169     103.690  33.640  47.022  1.00 16.14           C  
-ATOM  21191  C   SER M 169     105.190  33.964  46.958  1.00 16.00           C  
-ATOM  21192  O   SER M 169     105.766  34.466  47.903  1.00 15.60           O  
-ATOM  21193  CB  SER M 169     102.883  34.773  46.390  1.00 15.88           C  
-ATOM  21194  OG  SER M 169     103.250  34.945  45.030  1.00 15.93           O  
-ATOM  21195  N   ARG M 170     105.792  33.657  45.821  1.00 16.35           N  
-ATOM  21196  CA  ARG M 170     107.160  34.013  45.506  1.00 16.71           C  
-ATOM  21197  C   ARG M 170     107.238  35.482  45.088  1.00 16.02           C  
-ATOM  21198  O   ARG M 170     108.322  36.047  44.920  1.00 15.31           O  
-ATOM  21199  CB  ARG M 170     107.590  33.170  44.329  1.00 17.23           C  
-ATOM  21200  CG  ARG M 170     108.515  32.056  44.629  1.00 20.30           C  
-ATOM  21201  CD  ARG M 170     108.976  31.368  43.354  1.00 23.97           C  
-ATOM  21202  NE  ARG M 170     107.836  31.137  42.469  1.00 26.37           N  
-ATOM  21203  CZ  ARG M 170     107.931  30.795  41.186  1.00 27.60           C  
-ATOM  21204  NH1 ARG M 170     109.142  30.645  40.607  1.00 25.38           N  
-ATOM  21205  NH2 ARG M 170     106.805  30.591  40.492  1.00 25.00           N  
-ATOM  21206  N   PHE M 171     106.069  36.081  44.897  1.00 15.47           N  
-ATOM  21207  CA  PHE M 171     105.950  37.442  44.378  1.00 15.73           C  
-ATOM  21208  C   PHE M 171     105.289  38.322  45.392  1.00 15.89           C  
-ATOM  21209  O   PHE M 171     104.594  37.810  46.272  1.00 16.36           O  
-ATOM  21210  CB  PHE M 171     105.102  37.434  43.116  1.00 15.07           C  
-ATOM  21211  CG  PHE M 171     105.583  36.476  42.096  1.00 14.44           C  
-ATOM  21212  CD1 PHE M 171     106.554  36.864  41.156  1.00 14.39           C  
-ATOM  21213  CD2 PHE M 171     105.081  35.168  42.059  1.00 15.54           C  
-ATOM  21214  CE1 PHE M 171     107.033  35.961  40.193  1.00 13.49           C  
-ATOM  21215  CE2 PHE M 171     105.541  34.242  41.082  1.00 14.66           C  
-ATOM  21216  CZ  PHE M 171     106.528  34.644  40.150  1.00 14.01           C  
-ATOM  21217  N   GLU M 172     105.520  39.623  45.282  1.00 15.87           N  
-ATOM  21218  CA  GLU M 172     104.846  40.615  46.116  1.00 16.97           C  
-ATOM  21219  C   GLU M 172     104.267  41.698  45.207  1.00 17.41           C  
-ATOM  21220  O   GLU M 172     104.823  42.000  44.149  1.00 17.43           O  
-ATOM  21221  CB  GLU M 172     105.784  41.246  47.161  1.00 17.28           C  
-ATOM  21222  CG  GLU M 172     107.034  41.914  46.606  1.00 18.88           C  
-ATOM  21223  CD  GLU M 172     107.979  42.442  47.688  1.00 22.64           C  
-ATOM  21224  OE1 GLU M 172     107.528  42.580  48.847  1.00 25.16           O  
-ATOM  21225  OE2 GLU M 172     109.184  42.730  47.399  1.00 22.88           O  
-ATOM  21226  N   ILE M 173     103.132  42.257  45.610  1.00 17.73           N  
-ATOM  21227  CA  ILE M 173     102.451  43.283  44.831  1.00 18.21           C  
-ATOM  21228  C   ILE M 173     102.855  44.664  45.336  1.00 18.57           C  
-ATOM  21229  O   ILE M 173     102.806  44.946  46.533  1.00 18.58           O  
-ATOM  21230  CB  ILE M 173     100.949  43.100  44.940  1.00 18.30           C  
-ATOM  21231  CG1 ILE M 173     100.544  41.802  44.234  1.00 18.87           C  
-ATOM  21232  CG2 ILE M 173     100.223  44.328  44.377  1.00 18.45           C  
-ATOM  21233  CD1 ILE M 173      99.053  41.479  44.345  1.00 20.67           C  
-ATOM  21234  N   LEU M 174     103.285  45.508  44.414  1.00 18.92           N  
-ATOM  21235  CA  LEU M 174     103.754  46.834  44.761  1.00 19.40           C  
-ATOM  21236  C   LEU M 174     102.584  47.814  44.662  1.00 19.86           C  
-ATOM  21237  O   LEU M 174     102.394  48.675  45.541  1.00 19.69           O  
-ATOM  21238  CB  LEU M 174     104.908  47.247  43.853  1.00 19.03           C  
-ATOM  21239  CG  LEU M 174     106.153  46.351  43.892  1.00 19.53           C  
-ATOM  21240  CD1 LEU M 174     107.131  46.773  42.811  1.00 19.43           C  
-ATOM  21241  CD2 LEU M 174     106.841  46.368  45.268  1.00 18.83           C  
-ATOM  21242  N   ASP M 175     101.791  47.650  43.608  1.00 20.19           N  
-ATOM  21243  CA  ASP M 175     100.664  48.542  43.312  1.00 21.15           C  
-ATOM  21244  C   ASP M 175      99.643  47.931  42.361  1.00 20.95           C  
-ATOM  21245  O   ASP M 175      99.991  47.196  41.455  1.00 20.87           O  
-ATOM  21246  CB  ASP M 175     101.164  49.846  42.690  1.00 21.90           C  
-ATOM  21247  CG  ASP M 175     100.358  51.078  43.149  1.00 24.39           C  
-ATOM  21248  OD1 ASP M 175      99.210  50.941  43.657  1.00 26.22           O  
-ATOM  21249  OD2 ASP M 175     100.808  52.241  43.029  1.00 27.87           O  
-ATOM  21250  N   VAL M 176      98.381  48.249  42.574  1.00 21.42           N  
-ATOM  21251  CA  VAL M 176      97.325  47.930  41.615  1.00 22.10           C  
-ATOM  21252  C   VAL M 176      96.605  49.236  41.268  1.00 22.84           C  
-ATOM  21253  O   VAL M 176      96.161  49.940  42.171  1.00 23.03           O  
-ATOM  21254  CB  VAL M 176      96.329  46.882  42.172  1.00 21.97           C  
-ATOM  21255  CG1 VAL M 176      95.279  46.481  41.118  1.00 21.22           C  
-ATOM  21256  CG2 VAL M 176      97.059  45.623  42.646  1.00 21.04           C  
-ATOM  21257  N   THR M 177      96.533  49.573  39.977  1.00 23.36           N  
-ATOM  21258  CA  THR M 177      95.757  50.733  39.512  1.00 23.96           C  
-ATOM  21259  C   THR M 177      94.795  50.341  38.413  1.00 23.86           C  
-ATOM  21260  O   THR M 177      95.049  49.422  37.627  1.00 23.83           O  
-ATOM  21261  CB  THR M 177      96.645  51.914  39.001  1.00 24.13           C  
-ATOM  21262  OG1 THR M 177      97.571  51.446  38.013  1.00 25.21           O  
-ATOM  21263  CG2 THR M 177      97.538  52.458  40.089  1.00 24.76           C  
-ATOM  21264  N   GLN M 178      93.687  51.064  38.351  1.00 23.07           N  
-ATOM  21265  CA  GLN M 178      92.673  50.804  37.340  1.00 23.04           C  
-ATOM  21266  C   GLN M 178      92.535  52.015  36.445  1.00 21.82           C  
-ATOM  21267  O   GLN M 178      92.698  53.149  36.893  1.00 21.96           O  
-ATOM  21268  CB  GLN M 178      91.335  50.391  37.974  1.00 23.40           C  
-ATOM  21269  CG  GLN M 178      91.172  50.774  39.451  1.00 28.10           C  
-ATOM  21270  CD  GLN M 178      91.210  49.582  40.411  1.00 33.66           C  
-ATOM  21271  OE1 GLN M 178      90.147  49.118  40.887  1.00 38.34           O  
-ATOM  21272  NE2 GLN M 178      92.418  49.100  40.724  1.00 32.42           N  
-ATOM  21273  N   LYS M 179      92.309  51.779  35.163  1.00 20.13           N  
-ATOM  21274  CA  LYS M 179      92.005  52.867  34.229  1.00 18.61           C  
-ATOM  21275  C   LYS M 179      90.886  52.445  33.258  1.00 17.14           C  
-ATOM  21276  O   LYS M 179      90.861  51.310  32.766  1.00 15.56           O  
-ATOM  21277  CB  LYS M 179      93.263  53.327  33.470  1.00 18.78           C  
-ATOM  21278  CG  LYS M 179      92.949  54.084  32.167  1.00 19.83           C  
-ATOM  21279  CD  LYS M 179      94.155  54.731  31.534  1.00 23.99           C  
-ATOM  21280  CE  LYS M 179      93.804  55.284  30.144  1.00 26.62           C  
-ATOM  21281  NZ  LYS M 179      94.928  55.030  29.164  1.00 27.05           N  
-ATOM  21282  N   LYS M 180      89.977  53.365  32.971  1.00 15.38           N  
-ATOM  21283  CA  LYS M 180      88.850  53.035  32.119  1.00 15.81           C  
-ATOM  21284  C   LYS M 180      89.084  53.522  30.681  1.00 14.81           C  
-ATOM  21285  O   LYS M 180      89.597  54.626  30.488  1.00 14.64           O  
-ATOM  21286  CB  LYS M 180      87.531  53.475  32.794  1.00 15.34           C  
-ATOM  21287  CG  LYS M 180      86.637  54.402  32.024  1.00 19.93           C  
-ATOM  21288  CD  LYS M 180      85.235  54.476  32.695  1.00 22.57           C  
-ATOM  21289  CE  LYS M 180      84.163  53.833  31.792  1.00 25.84           C  
-ATOM  21290  NZ  LYS M 180      82.798  54.514  31.851  1.00 28.93           N  
-ATOM  21291  N   ASN M 181      88.802  52.677  29.684  1.00 13.10           N  
-ATOM  21292  CA  ASN M 181      88.926  53.068  28.264  1.00 12.82           C  
-ATOM  21293  C   ASN M 181      87.656  52.716  27.504  1.00 13.37           C  
-ATOM  21294  O   ASN M 181      86.779  51.974  27.984  1.00 12.86           O  
-ATOM  21295  CB  ASN M 181      90.100  52.401  27.504  1.00 11.75           C  
-ATOM  21296  CG  ASN M 181      91.456  52.542  28.207  1.00 14.95           C  
-ATOM  21297  OD1 ASN M 181      92.278  53.403  27.851  1.00 15.22           O  
-ATOM  21298  ND2 ASN M 181      91.716  51.667  29.179  1.00 16.36           N  
-ATOM  21299  N   SER M 182      87.606  53.205  26.281  1.00 13.75           N  
-ATOM  21300  CA  SER M 182      86.486  53.012  25.391  1.00 14.82           C  
-ATOM  21301  C   SER M 182      87.084  52.951  24.009  1.00 14.95           C  
-ATOM  21302  O   SER M 182      87.760  53.900  23.584  1.00 15.06           O  
-ATOM  21303  CB  SER M 182      85.544  54.208  25.467  1.00 14.31           C  
-ATOM  21304  OG  SER M 182      84.225  53.737  25.308  1.00 19.07           O  
-ATOM  21305  N   VAL M 183      86.782  51.870  23.302  1.00 13.68           N  
-ATOM  21306  CA  VAL M 183      87.562  51.448  22.176  1.00 14.39           C  
-ATOM  21307  C   VAL M 183      86.667  50.811  21.099  1.00 14.37           C  
-ATOM  21308  O   VAL M 183      85.568  50.341  21.355  1.00 15.44           O  
-ATOM  21309  CB  VAL M 183      88.736  50.529  22.723  1.00 15.87           C  
-ATOM  21310  CG1 VAL M 183      88.980  49.280  21.901  1.00 15.84           C  
-ATOM  21311  CG2 VAL M 183      90.026  51.398  22.987  1.00 16.70           C  
-ATOM  21312  N   THR M 184      87.147  50.810  19.879  1.00 14.75           N  
-ATOM  21313  CA  THR M 184      86.354  50.420  18.749  1.00 15.29           C  
-ATOM  21314  C   THR M 184      87.073  49.261  18.071  1.00 15.31           C  
-ATOM  21315  O   THR M 184      88.296  49.139  18.184  1.00 16.32           O  
-ATOM  21316  CB  THR M 184      86.293  51.663  17.830  1.00 16.21           C  
-ATOM  21317  OG1 THR M 184      84.936  52.203  17.789  1.00 18.12           O  
-ATOM  21318  CG2 THR M 184      86.661  51.342  16.419  1.00 14.16           C  
-ATOM  21319  N   TYR M 185      86.343  48.433  17.348  1.00 15.13           N  
-ATOM  21320  CA  TYR M 185      86.966  47.289  16.657  1.00 16.14           C  
-ATOM  21321  C   TYR M 185      86.490  47.266  15.228  1.00 16.12           C  
-ATOM  21322  O   TYR M 185      85.339  47.607  14.982  1.00 16.98           O  
-ATOM  21323  CB  TYR M 185      86.574  45.962  17.361  1.00 15.50           C  
-ATOM  21324  CG  TYR M 185      86.984  45.937  18.808  1.00 14.03           C  
-ATOM  21325  CD1 TYR M 185      86.118  46.419  19.804  1.00 13.34           C  
-ATOM  21326  CD2 TYR M 185      88.251  45.477  19.186  1.00 12.31           C  
-ATOM  21327  CE1 TYR M 185      86.493  46.431  21.140  1.00 13.53           C  
-ATOM  21328  CE2 TYR M 185      88.640  45.505  20.507  1.00 12.36           C  
-ATOM  21329  CZ  TYR M 185      87.759  45.980  21.480  1.00 12.42           C  
-ATOM  21330  OH  TYR M 185      88.128  46.004  22.803  1.00 16.32           O  
-ATOM  21331  N   SER M 186      87.335  46.830  14.299  1.00 16.76           N  
-ATOM  21332  CA  SER M 186      86.984  46.834  12.860  1.00 18.60           C  
-ATOM  21333  C   SER M 186      85.709  46.048  12.535  1.00 18.31           C  
-ATOM  21334  O   SER M 186      85.049  46.284  11.526  1.00 16.71           O  
-ATOM  21335  CB  SER M 186      88.146  46.297  12.010  1.00 19.25           C  
-ATOM  21336  OG  SER M 186      89.185  47.286  11.848  1.00 22.94           O  
-ATOM  21337  N   CYS M 187      85.383  45.111  13.412  1.00 18.63           N  
-ATOM  21338  CA  CYS M 187      84.231  44.253  13.242  1.00 19.74           C  
-ATOM  21339  C   CYS M 187      82.894  45.006  13.346  1.00 20.21           C  
-ATOM  21340  O   CYS M 187      81.884  44.607  12.752  1.00 20.42           O  
-ATOM  21341  CB  CYS M 187      84.289  43.161  14.333  1.00 20.43           C  
-ATOM  21342  SG  CYS M 187      83.747  43.716  15.963  1.00 20.51           S  
-ATOM  21343  N   CYS M 188      82.890  46.107  14.097  1.00 20.17           N  
-ATOM  21344  CA  CYS M 188      81.642  46.695  14.561  1.00 19.61           C  
-ATOM  21345  C   CYS M 188      81.711  48.252  14.607  1.00 17.82           C  
-ATOM  21346  O   CYS M 188      82.778  48.786  14.854  1.00 16.83           O  
-ATOM  21347  CB  CYS M 188      81.320  46.065  15.929  1.00 19.84           C  
-ATOM  21348  SG  CYS M 188      81.728  44.259  16.104  1.00 23.36           S  
-ATOM  21349  N   PRO M 189      80.589  48.948  14.376  1.00 16.15           N  
-ATOM  21350  CA  PRO M 189      80.554  50.432  14.355  1.00 16.00           C  
-ATOM  21351  C   PRO M 189      80.635  51.151  15.720  1.00 15.77           C  
-ATOM  21352  O   PRO M 189      80.996  52.307  15.713  1.00 14.25           O  
-ATOM  21353  CB  PRO M 189      79.202  50.755  13.679  1.00 14.66           C  
-ATOM  21354  CG  PRO M 189      78.310  49.538  14.022  1.00 16.21           C  
-ATOM  21355  CD  PRO M 189      79.265  48.351  14.090  1.00 15.77           C  
-ATOM  21356  N   GLU M 190      80.339  50.487  16.845  1.00 16.24           N  
-ATOM  21357  CA  GLU M 190      80.206  51.205  18.143  1.00 16.74           C  
-ATOM  21358  C   GLU M 190      81.372  51.008  19.104  1.00 16.29           C  
-ATOM  21359  O   GLU M 190      82.157  50.082  18.922  1.00 16.84           O  
-ATOM  21360  CB  GLU M 190      78.859  50.881  18.818  1.00 15.69           C  
-ATOM  21361  CG  GLU M 190      77.717  51.404  17.989  1.00 18.61           C  
-ATOM  21362  CD  GLU M 190      76.335  51.177  18.582  1.00 22.03           C  
-ATOM  21363  OE1 GLU M 190      76.169  51.320  19.814  1.00 23.47           O  
-ATOM  21364  OE2 GLU M 190      75.390  50.887  17.789  1.00 22.48           O  
-ATOM  21365  N   ALA M 191      81.440  51.828  20.149  1.00 16.67           N  
-ATOM  21366  CA  ALA M 191      82.481  51.734  21.180  1.00 16.19           C  
-ATOM  21367  C   ALA M 191      82.150  50.730  22.277  1.00 15.50           C  
-ATOM  21368  O   ALA M 191      81.010  50.680  22.748  1.00 14.57           O  
-ATOM  21369  CB  ALA M 191      82.713  53.110  21.826  1.00 16.33           C  
-ATOM  21370  N   TYR M 192      83.170  50.009  22.731  1.00 15.43           N  
-ATOM  21371  CA  TYR M 192      83.044  49.024  23.824  1.00 16.14           C  
-ATOM  21372  C   TYR M 192      83.885  49.494  24.971  1.00 16.79           C  
-ATOM  21373  O   TYR M 192      85.034  49.864  24.768  1.00 17.27           O  
-ATOM  21374  CB  TYR M 192      83.545  47.661  23.340  1.00 15.30           C  
-ATOM  21375  CG  TYR M 192      82.620  47.076  22.281  1.00 15.92           C  
-ATOM  21376  CD1 TYR M 192      82.735  47.439  20.951  1.00 15.56           C  
-ATOM  21377  CD2 TYR M 192      81.587  46.184  22.641  1.00 15.08           C  
-ATOM  21378  CE1 TYR M 192      81.907  46.941  20.008  1.00 16.27           C  
-ATOM  21379  CE2 TYR M 192      80.741  45.691  21.703  1.00 15.54           C  
-ATOM  21380  CZ  TYR M 192      80.906  46.055  20.387  1.00 16.39           C  
-ATOM  21381  OH  TYR M 192      80.073  45.553  19.411  1.00 17.88           O  
-ATOM  21382  N   GLU M 193      83.324  49.496  26.170  1.00 17.27           N  
-ATOM  21383  CA  GLU M 193      84.089  49.889  27.340  1.00 18.00           C  
-ATOM  21384  C   GLU M 193      84.917  48.749  27.961  1.00 18.60           C  
-ATOM  21385  O   GLU M 193      84.522  47.566  27.943  1.00 17.94           O  
-ATOM  21386  CB  GLU M 193      83.165  50.503  28.393  1.00 18.24           C  
-ATOM  21387  CG  GLU M 193      82.474  51.770  27.909  1.00 18.33           C  
-ATOM  21388  CD  GLU M 193      81.792  52.575  29.002  1.00 19.68           C  
-ATOM  21389  OE1 GLU M 193      81.868  52.230  30.189  1.00 19.67           O  
-ATOM  21390  OE2 GLU M 193      81.196  53.603  28.643  1.00 21.48           O  
-ATOM  21391  N   ASP M 194      86.070  49.124  28.506  1.00 19.17           N  
-ATOM  21392  CA  ASP M 194      86.893  48.191  29.242  1.00 20.39           C  
-ATOM  21393  C   ASP M 194      87.501  48.832  30.477  1.00 19.97           C  
-ATOM  21394  O   ASP M 194      87.579  50.089  30.587  1.00 19.43           O  
-ATOM  21395  CB  ASP M 194      87.962  47.560  28.348  1.00 20.92           C  
-ATOM  21396  CG  ASP M 194      89.053  48.551  27.925  1.00 24.79           C  
-ATOM  21397  OD1 ASP M 194      89.897  48.982  28.764  1.00 27.83           O  
-ATOM  21398  OD2 ASP M 194      89.155  48.953  26.748  1.00 29.24           O  
-ATOM  21399  N   VAL M 195      87.872  47.983  31.431  1.00 19.36           N  
-ATOM  21400  CA  VAL M 195      88.739  48.416  32.510  1.00 19.64           C  
-ATOM  21401  C   VAL M 195      90.106  47.770  32.329  1.00 19.20           C  
-ATOM  21402  O   VAL M 195      90.194  46.568  32.179  1.00 18.99           O  
-ATOM  21403  CB  VAL M 195      88.164  48.099  33.900  1.00 19.76           C  
-ATOM  21404  CG1 VAL M 195      89.175  48.481  35.000  1.00 20.81           C  
-ATOM  21405  CG2 VAL M 195      86.848  48.874  34.102  1.00 20.80           C  
-ATOM  21406  N   GLU M 196      91.159  48.581  32.347  1.00 18.83           N  
-ATOM  21407  CA  GLU M 196      92.535  48.083  32.378  1.00 19.15           C  
-ATOM  21408  C   GLU M 196      93.070  48.056  33.802  1.00 18.68           C  
-ATOM  21409  O   GLU M 196      93.117  49.091  34.482  1.00 18.31           O  
-ATOM  21410  CB  GLU M 196      93.433  48.935  31.474  1.00 19.36           C  
-ATOM  21411  CG  GLU M 196      93.383  48.460  30.021  1.00 23.29           C  
-ATOM  21412  CD  GLU M 196      94.107  49.360  29.001  1.00 28.10           C  
-ATOM  21413  OE1 GLU M 196      94.759  50.378  29.375  1.00 28.61           O  
-ATOM  21414  OE2 GLU M 196      94.014  49.033  27.774  1.00 29.00           O  
-ATOM  21415  N   VAL M 197      93.451  46.863  34.250  1.00 18.00           N  
-ATOM  21416  CA  VAL M 197      93.984  46.675  35.581  1.00 17.70           C  
-ATOM  21417  C   VAL M 197      95.490  46.463  35.481  1.00 17.42           C  
-ATOM  21418  O   VAL M 197      95.937  45.533  34.858  1.00 17.14           O  
-ATOM  21419  CB  VAL M 197      93.279  45.523  36.339  1.00 17.65           C  
-ATOM  21420  CG1 VAL M 197      93.892  45.361  37.728  1.00 17.19           C  
-ATOM  21421  CG2 VAL M 197      91.792  45.798  36.446  1.00 17.87           C  
-ATOM  21422  N   SER M 198      96.260  47.357  36.093  1.00 17.33           N  
-ATOM  21423  CA  SER M 198      97.704  47.330  36.012  1.00 17.45           C  
-ATOM  21424  C   SER M 198      98.263  46.775  37.315  1.00 17.45           C  
-ATOM  21425  O   SER M 198      98.137  47.394  38.376  1.00 17.35           O  
-ATOM  21426  CB  SER M 198      98.257  48.755  35.746  1.00 17.88           C  
-ATOM  21427  OG  SER M 198      97.923  49.197  34.419  1.00 19.66           O  
-ATOM  21428  N   LEU M 199      98.841  45.588  37.226  1.00 17.00           N  
-ATOM  21429  CA  LEU M 199      99.381  44.898  38.391  1.00 17.06           C  
-ATOM  21430  C   LEU M 199     100.890  45.124  38.377  1.00 16.57           C  
-ATOM  21431  O   LEU M 199     101.582  44.588  37.519  1.00 16.30           O  
-ATOM  21432  CB  LEU M 199      99.019  43.410  38.330  1.00 16.78           C  
-ATOM  21433  CG  LEU M 199      99.682  42.446  39.311  1.00 18.37           C  
-ATOM  21434  CD1 LEU M 199      99.197  42.673  40.752  1.00 18.42           C  
-ATOM  21435  CD2 LEU M 199      99.389  40.998  38.871  1.00 18.90           C  
-ATOM  21436  N   ASN M 200     101.372  45.956  39.300  1.00 16.13           N  
-ATOM  21437  CA  ASN M 200     102.805  46.181  39.516  1.00 15.78           C  
-ATOM  21438  C   ASN M 200     103.318  45.214  40.593  1.00 15.22           C  
-ATOM  21439  O   ASN M 200     102.925  45.313  41.764  1.00 15.04           O  
-ATOM  21440  CB  ASN M 200     103.042  47.642  39.911  1.00 15.89           C  
-ATOM  21441  CG  ASN M 200     104.550  48.031  40.008  1.00 17.24           C  
-ATOM  21442  OD1 ASN M 200     104.908  48.945  40.747  1.00 17.98           O  
-ATOM  21443  ND2 ASN M 200     105.404  47.367  39.252  1.00 18.35           N  
-ATOM  21444  N   PHE M 201     104.177  44.279  40.201  1.00 14.35           N  
-ATOM  21445  CA  PHE M 201     104.619  43.224  41.115  1.00 14.03           C  
-ATOM  21446  C   PHE M 201     106.069  42.864  40.870  1.00 13.46           C  
-ATOM  21447  O   PHE M 201     106.626  43.164  39.808  1.00 13.30           O  
-ATOM  21448  CB  PHE M 201     103.732  41.974  40.992  1.00 14.13           C  
-ATOM  21449  CG  PHE M 201     103.943  41.209  39.709  1.00 15.55           C  
-ATOM  21450  CD1 PHE M 201     103.438  41.688  38.492  1.00 15.72           C  
-ATOM  21451  CD2 PHE M 201     104.643  40.016  39.708  1.00 15.93           C  
-ATOM  21452  CE1 PHE M 201     103.642  40.999  37.323  1.00 16.24           C  
-ATOM  21453  CE2 PHE M 201     104.841  39.313  38.528  1.00 16.27           C  
-ATOM  21454  CZ  PHE M 201     104.347  39.810  37.338  1.00 16.54           C  
-ATOM  21455  N   ARG M 202     106.683  42.225  41.869  1.00 12.19           N  
-ATOM  21456  CA  ARG M 202     108.043  41.761  41.730  1.00 11.06           C  
-ATOM  21457  C   ARG M 202     108.302  40.461  42.488  1.00  9.78           C  
-ATOM  21458  O   ARG M 202     107.557  40.138  43.390  1.00  8.96           O  
-ATOM  21459  CB  ARG M 202     108.997  42.871  42.161  1.00 11.05           C  
-ATOM  21460  CG  ARG M 202     109.157  43.008  43.670  1.00 14.07           C  
-ATOM  21461  CD  ARG M 202     109.974  44.209  44.102  1.00 14.65           C  
-ATOM  21462  NE  ARG M 202     109.761  44.470  45.517  1.00 16.67           N  
-ATOM  21463  CZ  ARG M 202     110.098  45.594  46.139  1.00 16.02           C  
-ATOM  21464  NH1 ARG M 202     110.644  46.601  45.463  1.00 16.52           N  
-ATOM  21465  NH2 ARG M 202     109.876  45.711  47.444  1.00 15.56           N  
-ATOM  21466  N   LYS M 203     109.335  39.706  42.099  1.00  9.69           N  
-ATOM  21467  CA  LYS M 203     109.760  38.522  42.864  1.00  9.84           C  
-ATOM  21468  C   LYS M 203     110.161  39.024  44.226  1.00  9.08           C  
-ATOM  21469  O   LYS M 203     110.766  40.065  44.317  1.00  9.06           O  
-ATOM  21470  CB  LYS M 203     111.006  37.874  42.242  1.00  9.90           C  
-ATOM  21471  CG  LYS M 203     110.793  36.564  41.478  1.00 13.46           C  
-ATOM  21472  CD  LYS M 203     110.786  36.841  39.954  1.00 19.56           C  
-ATOM  21473  CE  LYS M 203     110.826  35.540  39.115  1.00 21.86           C  
-ATOM  21474  NZ  LYS M 203     111.983  34.660  39.514  1.00 23.76           N  
-ATOM  21475  N   LYS M 204     109.828  38.288  45.280  1.00  9.01           N  
-ATOM  21476  CA  LYS M 204     110.400  38.526  46.595  1.00  8.85           C  
-ATOM  21477  C   LYS M 204     111.890  38.248  46.476  1.00  8.43           C  
-ATOM  21478  O   LYS M 204     112.337  37.658  45.495  1.00  8.62           O  
-ATOM  21479  CB  LYS M 204     109.765  37.598  47.639  1.00  8.42           C  
-ATOM  21480  CG  LYS M 204     108.260  37.768  47.793  1.00 10.50           C  
-ATOM  21481  CD  LYS M 204     107.786  37.421  49.191  1.00 12.65           C  
-ATOM  21482  CE  LYS M 204     106.277  37.273  49.223  1.00 15.23           C  
-ATOM  21483  NZ  LYS M 204     105.877  36.357  50.360  1.00 19.20           N  
-ATOM  21484  N   GLY M 205     112.676  38.686  47.443  1.00  7.88           N  
-ATOM  21485  CA  GLY M 205     114.057  38.256  47.466  1.00  7.99           C  
-ATOM  21486  C   GLY M 205     114.123  36.736  47.591  1.00  7.86           C  
-ATOM  21487  O   GLY M 205     113.314  36.123  48.283  1.00  6.90           O  
-ATOM  21488  N   ARG M 206     115.099  36.116  46.939  1.00  8.01           N  
-ATOM  21489  CA  ARG M 206     115.158  34.661  46.967  1.00  7.77           C  
-ATOM  21490  C   ARG M 206     115.414  34.034  48.366  1.00  7.27           C  
-ATOM  21491  O   ARG M 206     115.034  32.901  48.599  1.00  7.10           O  
-ATOM  21492  CB  ARG M 206     116.074  34.110  45.874  1.00  7.73           C  
-ATOM  21493  CG  ARG M 206     117.418  34.752  45.757  1.00  7.74           C  
-ATOM  21494  CD  ARG M 206     118.135  34.366  44.447  1.00  7.96           C  
-ATOM  21495  NE  ARG M 206     119.001  33.236  44.734  1.00 11.18           N  
-ATOM  21496  CZ  ARG M 206     118.850  31.987  44.310  1.00 10.25           C  
-ATOM  21497  NH1 ARG M 206     117.872  31.635  43.507  1.00  8.31           N  
-ATOM  21498  NH2 ARG M 206     119.726  31.075  44.694  1.00 12.87           N  
-ATOM  21499  N   SER M 207     115.991  34.792  49.298  1.00  6.86           N  
-ATOM  21500  CA  SER M 207     116.230  34.320  50.665  1.00  6.38           C  
-ATOM  21501  C   SER M 207     115.035  34.493  51.622  1.00  6.02           C  
-ATOM  21502  O   SER M 207     114.011  35.101  51.276  1.00  6.22           O  
-ATOM  21503  CB  SER M 207     117.467  35.014  51.245  1.00  6.35           C  
-ATOM  21504  OG  SER M 207     117.270  36.412  51.305  1.00  5.32           O  
-TER   21505      SER M 207                                                      
-ATOM  21506  N   GLU N   0      55.983  47.334  18.637  1.00 22.77           N  
-ATOM  21507  CA  GLU N   0      57.034  47.431  19.717  1.00 23.67           C  
-ATOM  21508  C   GLU N   0      57.336  46.134  20.489  1.00 23.26           C  
-ATOM  21509  O   GLU N   0      56.442  45.543  21.103  1.00 23.31           O  
-ATOM  21510  CB  GLU N   0      56.717  48.575  20.712  1.00 23.84           C  
-ATOM  21511  CG  GLU N   0      57.969  49.162  21.393  1.00 26.74           C  
-ATOM  21512  CD  GLU N   0      57.909  49.244  22.929  1.00 29.41           C  
-ATOM  21513  OE1 GLU N   0      57.454  50.298  23.451  1.00 27.06           O  
-ATOM  21514  OE2 GLU N   0      58.338  48.270  23.614  1.00 28.38           O  
-ATOM  21515  N   PHE N   1      58.606  45.708  20.438  1.00 22.92           N  
-ATOM  21516  CA  PHE N   1      59.175  44.615  21.238  1.00 22.56           C  
-ATOM  21517  C   PHE N   1      60.287  45.173  22.122  1.00 21.67           C  
-ATOM  21518  O   PHE N   1      61.018  46.047  21.702  1.00 21.59           O  
-ATOM  21519  CB  PHE N   1      59.841  43.565  20.333  1.00 22.50           C  
-ATOM  21520  CG  PHE N   1      58.980  43.068  19.238  1.00 24.28           C  
-ATOM  21521  CD1 PHE N   1      57.886  42.241  19.499  1.00 26.18           C  
-ATOM  21522  CD2 PHE N   1      59.270  43.404  17.933  1.00 25.81           C  
-ATOM  21523  CE1 PHE N   1      57.075  41.762  18.462  1.00 27.97           C  
-ATOM  21524  CE2 PHE N   1      58.479  42.941  16.878  1.00 26.89           C  
-ATOM  21525  CZ  PHE N   1      57.370  42.118  17.140  1.00 28.26           C  
-ATOM  21526  N   ASP N   2      60.441  44.643  23.322  1.00 20.83           N  
-ATOM  21527  CA  ASP N   2      61.630  44.939  24.094  1.00 20.06           C  
-ATOM  21528  C   ASP N   2      62.613  43.792  23.916  1.00 19.41           C  
-ATOM  21529  O   ASP N   2      62.310  42.804  23.197  1.00 18.44           O  
-ATOM  21530  CB  ASP N   2      61.285  45.239  25.570  1.00 20.85           C  
-ATOM  21531  CG  ASP N   2      60.655  44.055  26.301  1.00 22.06           C  
-ATOM  21532  OD1 ASP N   2      60.755  42.892  25.813  1.00 22.51           O  
-ATOM  21533  OD2 ASP N   2      60.054  44.224  27.393  1.00 23.80           O  
-ATOM  21534  N   ARG N   3      63.778  43.919  24.551  1.00 18.40           N  
-ATOM  21535  CA  ARG N   3      64.813  42.902  24.421  1.00 17.97           C  
-ATOM  21536  C   ARG N   3      64.305  41.542  24.836  1.00 16.96           C  
-ATOM  21537  O   ARG N   3      64.601  40.584  24.175  1.00 17.28           O  
-ATOM  21538  CB  ARG N   3      66.064  43.250  25.236  1.00 17.96           C  
-ATOM  21539  CG  ARG N   3      67.093  43.984  24.458  1.00 18.79           C  
-ATOM  21540  CD  ARG N   3      67.967  44.921  25.301  1.00 19.43           C  
-ATOM  21541  NE  ARG N   3      68.812  45.716  24.439  1.00 22.26           N  
-ATOM  21542  CZ  ARG N   3      68.687  47.023  24.259  1.00 25.86           C  
-ATOM  21543  NH1 ARG N   3      67.748  47.732  24.907  1.00 27.28           N  
-ATOM  21544  NH2 ARG N   3      69.525  47.628  23.436  1.00 26.20           N  
-ATOM  21545  N   ALA N   4      63.555  41.493  25.936  1.00 16.12           N  
-ATOM  21546  CA  ALA N   4      62.991  40.258  26.480  1.00 16.00           C  
-ATOM  21547  C   ALA N   4      62.124  39.539  25.452  1.00 15.62           C  
-ATOM  21548  O   ALA N   4      62.253  38.330  25.273  1.00 15.34           O  
-ATOM  21549  CB  ALA N   4      62.194  40.546  27.784  1.00 15.30           C  
-ATOM  21550  N   ASP N   5      61.291  40.302  24.758  1.00 15.62           N  
-ATOM  21551  CA  ASP N   5      60.415  39.781  23.712  1.00 16.51           C  
-ATOM  21552  C   ASP N   5      61.212  39.246  22.524  1.00 15.78           C  
-ATOM  21553  O   ASP N   5      60.935  38.153  22.032  1.00 15.66           O  
-ATOM  21554  CB  ASP N   5      59.431  40.848  23.224  1.00 16.90           C  
-ATOM  21555  CG  ASP N   5      58.499  41.313  24.298  1.00 20.88           C  
-ATOM  21556  OD1 ASP N   5      58.234  40.542  25.249  1.00 24.42           O  
-ATOM  21557  OD2 ASP N   5      57.956  42.448  24.280  1.00 25.37           O  
-ATOM  21558  N   ILE N   6      62.201  40.015  22.072  1.00 15.19           N  
-ATOM  21559  CA  ILE N   6      62.995  39.605  20.923  1.00 14.68           C  
-ATOM  21560  C   ILE N   6      63.726  38.307  21.241  1.00 14.56           C  
-ATOM  21561  O   ILE N   6      63.733  37.394  20.426  1.00 13.43           O  
-ATOM  21562  CB  ILE N   6      63.985  40.680  20.514  1.00 14.62           C  
-ATOM  21563  CG1 ILE N   6      63.276  41.930  20.073  1.00 14.09           C  
-ATOM  21564  CG2 ILE N   6      64.924  40.197  19.376  1.00 13.84           C  
-ATOM  21565  CD1 ILE N   6      64.205  43.154  20.102  1.00 12.97           C  
-ATOM  21566  N   LEU N   7      64.310  38.235  22.439  1.00 14.91           N  
-ATOM  21567  CA  LEU N   7      65.051  37.042  22.854  1.00 15.67           C  
-ATOM  21568  C   LEU N   7      64.180  35.801  23.088  1.00 15.56           C  
-ATOM  21569  O   LEU N   7      64.591  34.694  22.743  1.00 14.72           O  
-ATOM  21570  CB  LEU N   7      65.921  37.352  24.073  1.00 16.27           C  
-ATOM  21571  CG  LEU N   7      67.147  38.172  23.679  1.00 17.36           C  
-ATOM  21572  CD1 LEU N   7      67.696  38.904  24.861  1.00 18.87           C  
-ATOM  21573  CD2 LEU N   7      68.193  37.267  23.066  1.00 19.16           C  
-ATOM  21574  N   TYR N   8      62.995  36.014  23.662  1.00 15.72           N  
-ATOM  21575  CA  TYR N   8      62.011  34.971  23.849  1.00 16.76           C  
-ATOM  21576  C   TYR N   8      61.614  34.415  22.472  1.00 16.54           C  
-ATOM  21577  O   TYR N   8      61.651  33.209  22.257  1.00 16.12           O  
-ATOM  21578  CB  TYR N   8      60.784  35.524  24.603  1.00 17.89           C  
-ATOM  21579  CG  TYR N   8      59.637  34.532  24.790  1.00 20.89           C  
-ATOM  21580  CD1 TYR N   8      59.744  33.486  25.702  1.00 24.41           C  
-ATOM  21581  CD2 TYR N   8      58.457  34.659  24.068  1.00 22.98           C  
-ATOM  21582  CE1 TYR N   8      58.697  32.585  25.903  1.00 26.15           C  
-ATOM  21583  CE2 TYR N   8      57.404  33.781  24.252  1.00 25.45           C  
-ATOM  21584  CZ  TYR N   8      57.534  32.735  25.169  1.00 26.97           C  
-ATOM  21585  OH  TYR N   8      56.503  31.847  25.376  1.00 28.57           O  
-ATOM  21586  N   ASN N   9      61.274  35.304  21.536  1.00 16.33           N  
-ATOM  21587  CA  ASN N   9      60.817  34.870  20.235  1.00 16.76           C  
-ATOM  21588  C   ASN N   9      61.894  34.069  19.493  1.00 16.40           C  
-ATOM  21589  O   ASN N   9      61.601  33.046  18.872  1.00 15.46           O  
-ATOM  21590  CB  ASN N   9      60.329  36.064  19.419  1.00 16.74           C  
-ATOM  21591  CG  ASN N   9      58.985  36.613  19.915  1.00 18.45           C  
-ATOM  21592  OD1 ASN N   9      58.303  36.004  20.745  1.00 19.63           O  
-ATOM  21593  ND2 ASN N   9      58.618  37.783  19.422  1.00 17.69           N  
-ATOM  21594  N   ILE N  10      63.136  34.568  19.550  1.00 16.35           N  
-ATOM  21595  CA  ILE N  10      64.262  33.830  18.996  1.00 16.34           C  
-ATOM  21596  C   ILE N  10      64.401  32.479  19.711  1.00 16.94           C  
-ATOM  21597  O   ILE N  10      64.501  31.445  19.044  1.00 15.84           O  
-ATOM  21598  CB  ILE N  10      65.564  34.631  19.108  1.00 16.57           C  
-ATOM  21599  CG1 ILE N  10      65.543  35.793  18.106  1.00 15.36           C  
-ATOM  21600  CG2 ILE N  10      66.804  33.705  18.879  1.00 15.65           C  
-ATOM  21601  CD1 ILE N  10      66.616  36.778  18.338  1.00 13.59           C  
-ATOM  21602  N   ARG N  11      64.446  32.530  21.053  1.00 15.49           N  
-ATOM  21603  CA  ARG N  11      64.578  31.333  21.843  1.00 18.49           C  
-ATOM  21604  C   ARG N  11      63.438  30.348  21.486  1.00 17.97           C  
-ATOM  21605  O   ARG N  11      63.712  29.221  21.161  1.00 16.48           O  
-ATOM  21606  CB  ARG N  11      64.665  31.624  23.345  1.00 19.47           C  
-ATOM  21607  CG  ARG N  11      64.828  30.361  24.238  1.00 24.88           C  
-ATOM  21608  CD  ARG N  11      65.026  30.664  25.769  1.00 35.31           C  
-ATOM  21609  NE  ARG N  11      65.772  29.585  26.442  1.00 42.11           N  
-ATOM  21610  CZ  ARG N  11      66.023  29.494  27.758  1.00 45.07           C  
-ATOM  21611  NH1 ARG N  11      65.608  30.432  28.615  1.00 46.21           N  
-ATOM  21612  NH2 ARG N  11      66.712  28.448  28.218  1.00 46.10           N  
-ATOM  21613  N   GLN N  12      62.189  30.819  21.422  1.00 18.68           N  
-ATOM  21614  CA  GLN N  12      61.086  29.908  21.161  1.00 20.15           C  
-ATOM  21615  C   GLN N  12      61.018  29.314  19.750  1.00 20.34           C  
-ATOM  21616  O   GLN N  12      60.407  28.288  19.569  1.00 21.02           O  
-ATOM  21617  CB  GLN N  12      59.748  30.528  21.525  1.00 19.78           C  
-ATOM  21618  CG  GLN N  12      59.532  30.703  23.009  1.00 22.72           C  
-ATOM  21619  CD  GLN N  12      59.561  29.411  23.793  1.00 25.45           C  
-ATOM  21620  OE1 GLN N  12      58.520  28.771  23.978  1.00 28.13           O  
-ATOM  21621  NE2 GLN N  12      60.735  29.038  24.283  1.00 23.90           N  
-ATOM  21622  N   THR N  13      61.588  29.973  18.750  1.00 20.44           N  
-ATOM  21623  CA  THR N  13      61.381  29.538  17.366  1.00 21.45           C  
-ATOM  21624  C   THR N  13      62.692  29.078  16.773  1.00 23.00           C  
-ATOM  21625  O   THR N  13      62.732  28.572  15.653  1.00 23.71           O  
-ATOM  21626  CB  THR N  13      60.785  30.707  16.467  1.00 21.16           C  
-ATOM  21627  OG1 THR N  13      61.639  31.874  16.499  1.00 19.77           O  
-ATOM  21628  CG2 THR N  13      59.447  31.195  17.009  1.00 19.90           C  
-ATOM  21629  N   SER N  14      63.768  29.304  17.529  1.00 24.19           N  
-ATOM  21630  CA  SER N  14      65.120  28.903  17.172  1.00 24.36           C  
-ATOM  21631  C   SER N  14      65.061  27.498  16.625  1.00 23.47           C  
-ATOM  21632  O   SER N  14      64.410  26.630  17.229  1.00 24.39           O  
-ATOM  21633  CB  SER N  14      66.050  28.928  18.413  1.00 25.40           C  
-ATOM  21634  OG  SER N  14      65.829  27.860  19.355  1.00 22.13           O  
-ATOM  21635  N   ARG N  15      65.666  27.321  15.454  1.00 21.91           N  
-ATOM  21636  CA  ARG N  15      65.949  26.001  14.924  1.00 20.16           C  
-ATOM  21637  C   ARG N  15      67.459  25.857  14.746  1.00 18.87           C  
-ATOM  21638  O   ARG N  15      67.964  25.920  13.625  1.00 17.91           O  
-ATOM  21639  CB  ARG N  15      65.168  25.739  13.621  1.00 20.47           C  
-ATOM  21640  CG  ARG N  15      63.637  25.820  13.754  1.00 20.90           C  
-ATOM  21641  CD  ARG N  15      62.896  24.498  14.063  1.00 25.17           C  
-ATOM  21642  NE  ARG N  15      63.581  23.286  13.578  1.00 26.57           N  
-ATOM  21643  CZ  ARG N  15      63.062  22.387  12.754  1.00 21.53           C  
-ATOM  21644  NH1 ARG N  15      61.821  22.508  12.281  1.00 25.25           N  
-ATOM  21645  NH2 ARG N  15      63.795  21.360  12.398  1.00 20.44           N  
-ATOM  21646  N   PRO N  16      68.166  25.601  15.851  1.00 18.51           N  
-ATOM  21647  CA  PRO N  16      69.640  25.596  15.888  1.00 18.21           C  
-ATOM  21648  C   PRO N  16      70.278  24.607  14.868  1.00 18.07           C  
-ATOM  21649  O   PRO N  16      71.428  24.786  14.356  1.00 17.67           O  
-ATOM  21650  CB  PRO N  16      69.955  25.106  17.317  1.00 17.84           C  
-ATOM  21651  CG  PRO N  16      68.710  25.380  18.106  1.00 17.90           C  
-ATOM  21652  CD  PRO N  16      67.575  25.174  17.137  1.00 18.77           C  
-ATOM  21653  N   ASP N  17      69.504  23.574  14.577  1.00 17.94           N  
-ATOM  21654  CA  ASP N  17      69.957  22.453  13.746  1.00 19.44           C  
-ATOM  21655  C   ASP N  17      69.645  22.654  12.243  1.00 19.13           C  
-ATOM  21656  O   ASP N  17      69.929  21.758  11.422  1.00 21.39           O  
-ATOM  21657  CB  ASP N  17      69.309  21.148  14.293  1.00 19.14           C  
-ATOM  21658  CG  ASP N  17      69.722  20.856  15.772  1.00 23.75           C  
-ATOM  21659  OD1 ASP N  17      70.706  21.516  16.244  1.00 28.52           O  
-ATOM  21660  OD2 ASP N  17      69.126  20.028  16.553  1.00 24.14           O  
-ATOM  21661  N   VAL N  18      69.034  23.791  11.880  1.00 17.64           N  
-ATOM  21662  CA  VAL N  18      68.587  24.028  10.503  1.00 17.30           C  
-ATOM  21663  C   VAL N  18      69.357  25.142   9.807  1.00 17.47           C  
-ATOM  21664  O   VAL N  18      69.244  26.327  10.188  1.00 17.02           O  
-ATOM  21665  CB  VAL N  18      67.062  24.320  10.428  1.00 17.49           C  
-ATOM  21666  CG1 VAL N  18      66.605  24.532   8.965  1.00 16.99           C  
-ATOM  21667  CG2 VAL N  18      66.247  23.235  11.133  1.00 15.77           C  
-ATOM  21668  N   ILE N  19      70.150  24.775   8.806  1.00 17.45           N  
-ATOM  21669  CA  ILE N  19      70.854  25.756   7.971  1.00 18.19           C  
-ATOM  21670  C   ILE N  19      69.855  26.744   7.302  1.00 18.72           C  
-ATOM  21671  O   ILE N  19      68.876  26.327   6.711  1.00 18.26           O  
-ATOM  21672  CB  ILE N  19      71.813  25.042   6.967  1.00 18.01           C  
-ATOM  21673  CG1 ILE N  19      72.607  26.046   6.151  1.00 17.26           C  
-ATOM  21674  CG2 ILE N  19      71.075  24.002   6.067  1.00 16.80           C  
-ATOM  21675  CD1 ILE N  19      73.644  25.403   5.248  1.00 16.12           C  
-ATOM  21676  N   PRO N  20      70.054  28.047   7.490  1.00 20.00           N  
-ATOM  21677  CA  PRO N  20      69.112  29.065   6.987  1.00 21.21           C  
-ATOM  21678  C   PRO N  20      69.207  29.315   5.498  1.00 22.87           C  
-ATOM  21679  O   PRO N  20      69.332  30.455   5.035  1.00 23.02           O  
-ATOM  21680  CB  PRO N  20      69.519  30.324   7.740  1.00 20.77           C  
-ATOM  21681  CG  PRO N  20      70.949  30.161   8.013  1.00 20.50           C  
-ATOM  21682  CD  PRO N  20      71.141  28.674   8.263  1.00 20.51           C  
-ATOM  21683  N   THR N  21      69.122  28.237   4.746  1.00 24.75           N  
-ATOM  21684  CA  THR N  21      69.161  28.293   3.310  1.00 27.33           C  
-ATOM  21685  C   THR N  21      67.913  29.039   2.828  1.00 28.75           C  
-ATOM  21686  O   THR N  21      66.805  28.757   3.286  1.00 29.15           O  
-ATOM  21687  CB  THR N  21      69.258  26.844   2.784  1.00 27.19           C  
-ATOM  21688  OG1 THR N  21      70.604  26.591   2.329  1.00 28.65           O  
-ATOM  21689  CG2 THR N  21      68.408  26.633   1.561  1.00 28.65           C  
-ATOM  21690  N   GLN N  22      68.100  30.044   1.974  1.00 29.86           N  
-ATOM  21691  CA  GLN N  22      66.968  30.758   1.351  1.00 31.38           C  
-ATOM  21692  C   GLN N  22      67.026  30.543  -0.151  1.00 31.09           C  
-ATOM  21693  O   GLN N  22      68.124  30.468  -0.720  1.00 31.63           O  
-ATOM  21694  CB  GLN N  22      67.004  32.280   1.640  1.00 31.31           C  
-ATOM  21695  CG  GLN N  22      66.351  32.741   2.989  1.00 34.13           C  
-ATOM  21696  CD  GLN N  22      64.791  32.865   2.972  1.00 36.94           C  
-ATOM  21697  OE1 GLN N  22      64.223  33.853   2.453  1.00 35.91           O  
-ATOM  21698  NE2 GLN N  22      64.115  31.874   3.566  1.00 37.14           N  
-ATOM  21699  N   ARG N  23      65.863  30.410  -0.791  1.00 31.14           N  
-ATOM  21700  CA  ARG N  23      65.777  30.501  -2.259  1.00 31.08           C  
-ATOM  21701  C   ARG N  23      66.782  29.600  -3.008  1.00 30.64           C  
-ATOM  21702  O   ARG N  23      67.375  30.026  -4.007  1.00 30.46           O  
-ATOM  21703  CB  ARG N  23      65.995  31.969  -2.681  1.00 31.28           C  
-ATOM  21704  CG  ARG N  23      64.874  32.599  -3.483  1.00 32.90           C  
-ATOM  21705  CD  ARG N  23      64.630  34.070  -3.141  1.00 36.02           C  
-ATOM  21706  NE  ARG N  23      63.909  34.212  -1.872  1.00 36.27           N  
-ATOM  21707  CZ  ARG N  23      62.584  34.155  -1.736  1.00 35.53           C  
-ATOM  21708  NH1 ARG N  23      61.795  33.963  -2.789  1.00 34.08           N  
-ATOM  21709  NH2 ARG N  23      62.049  34.278  -0.533  1.00 34.90           N  
-ATOM  21710  N   ASP N  24      66.973  28.375  -2.503  1.00 30.18           N  
-ATOM  21711  CA  ASP N  24      67.997  27.390  -2.965  1.00 29.75           C  
-ATOM  21712  C   ASP N  24      69.460  27.881  -3.175  1.00 28.84           C  
-ATOM  21713  O   ASP N  24      70.265  27.244  -3.893  1.00 29.18           O  
-ATOM  21714  CB  ASP N  24      67.473  26.552  -4.155  1.00 30.39           C  
-ATOM  21715  CG  ASP N  24      66.094  25.920  -3.867  1.00 31.60           C  
-ATOM  21716  OD1 ASP N  24      65.790  25.668  -2.671  1.00 31.62           O  
-ATOM  21717  OD2 ASP N  24      65.246  25.670  -4.761  1.00 31.77           O  
-ATOM  21718  N   ARG N  25      69.786  29.005  -2.535  1.00 26.98           N  
-ATOM  21719  CA  ARG N  25      71.131  29.562  -2.547  1.00 25.29           C  
-ATOM  21720  C   ARG N  25      71.923  29.031  -1.350  1.00 23.53           C  
-ATOM  21721  O   ARG N  25      71.340  28.723  -0.312  1.00 22.35           O  
-ATOM  21722  CB  ARG N  25      71.066  31.095  -2.480  1.00 25.93           C  
-ATOM  21723  CG  ARG N  25      70.422  31.768  -3.730  1.00 27.25           C  
-ATOM  21724  CD  ARG N  25      70.337  33.309  -3.694  1.00 29.26           C  
-ATOM  21725  NE  ARG N  25      69.905  33.854  -4.985  1.00 31.47           N  
-ATOM  21726  CZ  ARG N  25      70.729  34.229  -5.971  1.00 33.54           C  
-ATOM  21727  NH1 ARG N  25      72.052  34.137  -5.814  1.00 32.51           N  
-ATOM  21728  NH2 ARG N  25      70.233  34.707  -7.121  1.00 33.12           N  
-ATOM  21729  N   PRO N  26      73.244  28.931  -1.487  1.00 22.43           N  
-ATOM  21730  CA  PRO N  26      74.109  28.623  -0.336  1.00 21.12           C  
-ATOM  21731  C   PRO N  26      74.037  29.767   0.692  1.00 19.84           C  
-ATOM  21732  O   PRO N  26      73.764  30.903   0.318  1.00 19.22           O  
-ATOM  21733  CB  PRO N  26      75.508  28.527  -0.960  1.00 21.13           C  
-ATOM  21734  CG  PRO N  26      75.413  29.277  -2.258  1.00 21.36           C  
-ATOM  21735  CD  PRO N  26      74.011  29.112  -2.735  1.00 22.13           C  
-ATOM  21736  N   VAL N  27      74.227  29.457   1.960  1.00 18.37           N  
-ATOM  21737  CA  VAL N  27      74.408  30.484   2.991  1.00 17.75           C  
-ATOM  21738  C   VAL N  27      75.811  31.060   2.810  1.00 17.39           C  
-ATOM  21739  O   VAL N  27      76.802  30.333   2.884  1.00 16.85           O  
-ATOM  21740  CB  VAL N  27      74.247  29.908   4.409  1.00 17.68           C  
-ATOM  21741  CG1 VAL N  27      74.596  30.906   5.467  1.00 17.39           C  
-ATOM  21742  CG2 VAL N  27      72.827  29.439   4.618  1.00 17.97           C  
-ATOM  21743  N   ALA N  28      75.878  32.353   2.495  1.00 16.53           N  
-ATOM  21744  CA  ALA N  28      77.146  33.042   2.397  1.00 16.20           C  
-ATOM  21745  C   ALA N  28      77.709  33.359   3.790  1.00 15.87           C  
-ATOM  21746  O   ALA N  28      77.174  34.146   4.537  1.00 15.46           O  
-ATOM  21747  CB  ALA N  28      77.003  34.336   1.523  1.00 15.87           C  
-ATOM  21748  N   VAL N  29      78.805  32.715   4.122  1.00 15.91           N  
-ATOM  21749  CA  VAL N  29      79.516  32.935   5.369  1.00 16.38           C  
-ATOM  21750  C   VAL N  29      80.826  33.707   5.095  1.00 17.23           C  
-ATOM  21751  O   VAL N  29      81.564  33.420   4.150  1.00 16.97           O  
-ATOM  21752  CB  VAL N  29      79.836  31.586   6.043  1.00 16.06           C  
-ATOM  21753  CG1 VAL N  29      80.580  31.790   7.311  1.00 14.93           C  
-ATOM  21754  CG2 VAL N  29      78.531  30.791   6.300  1.00 15.77           C  
-ATOM  21755  N   SER N  30      81.116  34.663   5.947  1.00 17.90           N  
-ATOM  21756  CA  SER N  30      82.362  35.410   5.844  1.00 19.32           C  
-ATOM  21757  C   SER N  30      83.180  35.100   7.055  1.00 19.67           C  
-ATOM  21758  O   SER N  30      82.645  35.088   8.166  1.00 19.77           O  
-ATOM  21759  CB  SER N  30      82.124  36.898   5.764  1.00 18.41           C  
-ATOM  21760  OG  SER N  30      81.290  37.131   4.666  1.00 21.02           O  
-ATOM  21761  N   VAL N  31      84.459  34.818   6.831  1.00 19.69           N  
-ATOM  21762  CA  VAL N  31      85.348  34.483   7.912  1.00 21.01           C  
-ATOM  21763  C   VAL N  31      86.602  35.280   7.791  1.00 20.97           C  
-ATOM  21764  O   VAL N  31      87.127  35.461   6.715  1.00 20.70           O  
-ATOM  21765  CB  VAL N  31      85.816  33.015   7.896  1.00 21.31           C  
-ATOM  21766  CG1 VAL N  31      86.185  32.584   9.325  1.00 21.22           C  
-ATOM  21767  CG2 VAL N  31      84.762  32.115   7.264  1.00 22.37           C  
-ATOM  21768  N   SER N  32      87.130  35.657   8.935  1.00 21.37           N  
-ATOM  21769  CA  SER N  32      88.338  36.444   8.975  1.00 22.82           C  
-ATOM  21770  C   SER N  32      88.914  36.143  10.333  1.00 22.82           C  
-ATOM  21771  O   SER N  32      88.157  36.092  11.333  1.00 22.93           O  
-ATOM  21772  CB  SER N  32      87.949  37.916   8.849  1.00 22.67           C  
-ATOM  21773  OG  SER N  32      89.011  38.782   9.129  1.00 27.58           O  
-ATOM  21774  N   LEU N  33      90.226  35.927  10.384  1.00 22.16           N  
-ATOM  21775  CA  LEU N  33      90.927  35.651  11.637  1.00 21.51           C  
-ATOM  21776  C   LEU N  33      91.720  36.868  12.001  1.00 21.56           C  
-ATOM  21777  O   LEU N  33      92.518  37.346  11.184  1.00 21.72           O  
-ATOM  21778  CB  LEU N  33      91.879  34.454  11.501  1.00 21.17           C  
-ATOM  21779  CG  LEU N  33      91.365  33.134  10.941  1.00 21.33           C  
-ATOM  21780  CD1 LEU N  33      92.438  32.071  11.086  1.00 19.64           C  
-ATOM  21781  CD2 LEU N  33      90.075  32.657  11.614  1.00 20.49           C  
-ATOM  21782  N   LYS N  34      91.487  37.384  13.208  1.00 21.11           N  
-ATOM  21783  CA  LYS N  34      92.259  38.507  13.728  1.00 20.61           C  
-ATOM  21784  C   LYS N  34      93.213  37.924  14.749  1.00 19.66           C  
-ATOM  21785  O   LYS N  34      92.803  37.520  15.838  1.00 19.17           O  
-ATOM  21786  CB  LYS N  34      91.363  39.567  14.375  1.00 21.23           C  
-ATOM  21787  CG  LYS N  34      90.092  39.860  13.603  1.00 23.43           C  
-ATOM  21788  CD  LYS N  34      90.372  40.889  12.482  1.00 27.49           C  
-ATOM  21789  CE  LYS N  34      89.178  40.970  11.521  1.00 30.30           C  
-ATOM  21790  NZ  LYS N  34      89.517  41.735  10.259  1.00 33.26           N  
-ATOM  21791  N   PHE N  35      94.485  37.877  14.390  1.00 18.06           N  
-ATOM  21792  CA  PHE N  35      95.485  37.301  15.257  1.00 17.40           C  
-ATOM  21793  C   PHE N  35      95.820  38.183  16.457  1.00 16.98           C  
-ATOM  21794  O   PHE N  35      96.083  39.371  16.322  1.00 15.94           O  
-ATOM  21795  CB  PHE N  35      96.718  36.940  14.446  1.00 17.29           C  
-ATOM  21796  CG  PHE N  35      96.462  35.839  13.453  1.00 17.51           C  
-ATOM  21797  CD1 PHE N  35      96.463  34.528  13.863  1.00 17.91           C  
-ATOM  21798  CD2 PHE N  35      96.199  36.132  12.110  1.00 18.30           C  
-ATOM  21799  CE1 PHE N  35      96.224  33.479  12.932  1.00 19.26           C  
-ATOM  21800  CE2 PHE N  35      95.938  35.120  11.185  1.00 17.81           C  
-ATOM  21801  CZ  PHE N  35      95.959  33.789  11.596  1.00 18.27           C  
-ATOM  21802  N   ILE N  36      95.770  37.566  17.635  1.00 16.26           N  
-ATOM  21803  CA  ILE N  36      96.016  38.281  18.878  1.00 16.18           C  
-ATOM  21804  C   ILE N  36      97.394  37.928  19.454  1.00 16.52           C  
-ATOM  21805  O   ILE N  36      98.097  38.770  19.979  1.00 15.45           O  
-ATOM  21806  CB  ILE N  36      94.891  38.010  19.921  1.00 15.96           C  
-ATOM  21807  CG1 ILE N  36      93.477  38.183  19.315  1.00 15.79           C  
-ATOM  21808  CG2 ILE N  36      95.069  38.912  21.152  1.00 15.17           C  
-ATOM  21809  CD1 ILE N  36      93.152  39.534  18.650  1.00 13.87           C  
-ATOM  21810  N   ASN N  37      97.750  36.648  19.363  1.00 17.11           N  
-ATOM  21811  CA  ASN N  37      99.001  36.193  19.930  1.00 18.09           C  
-ATOM  21812  C   ASN N  37      99.494  34.922  19.282  1.00 18.56           C  
-ATOM  21813  O   ASN N  37      98.687  34.097  18.827  1.00 18.58           O  
-ATOM  21814  CB  ASN N  37      98.855  35.999  21.427  1.00 17.58           C  
-ATOM  21815  CG  ASN N  37     100.022  36.573  22.201  1.00 19.55           C  
-ATOM  21816  OD1 ASN N  37     101.195  36.395  21.842  1.00 19.37           O  
-ATOM  21817  ND2 ASN N  37      99.701  37.286  23.279  1.00 16.78           N  
-ATOM  21818  N   ILE N  38     100.821  34.776  19.230  1.00 19.09           N  
-ATOM  21819  CA  ILE N  38     101.439  33.520  18.826  1.00 19.65           C  
-ATOM  21820  C   ILE N  38     102.220  33.040  20.041  1.00 20.29           C  
-ATOM  21821  O   ILE N  38     103.185  33.659  20.430  1.00 20.61           O  
-ATOM  21822  CB  ILE N  38     102.342  33.746  17.617  1.00 19.87           C  
-ATOM  21823  CG1 ILE N  38     101.510  34.224  16.415  1.00 19.95           C  
-ATOM  21824  CG2 ILE N  38     103.087  32.466  17.243  1.00 19.23           C  
-ATOM  21825  CD1 ILE N  38     102.287  34.990  15.386  1.00 19.70           C  
-ATOM  21826  N   LEU N  39     101.785  31.957  20.660  1.00 20.94           N  
-ATOM  21827  CA  LEU N  39     102.279  31.609  22.000  1.00 21.75           C  
-ATOM  21828  C   LEU N  39     103.459  30.644  21.968  1.00 22.52           C  
-ATOM  21829  O   LEU N  39     104.323  30.635  22.854  1.00 23.14           O  
-ATOM  21830  CB  LEU N  39     101.149  31.018  22.843  1.00 21.57           C  
-ATOM  21831  CG  LEU N  39      99.920  31.923  22.858  1.00 22.90           C  
-ATOM  21832  CD1 LEU N  39      98.778  31.233  23.426  1.00 23.63           C  
-ATOM  21833  CD2 LEU N  39     100.246  33.174  23.674  1.00 23.08           C  
-ATOM  21834  N   GLU N  40     103.481  29.806  20.953  1.00 22.57           N  
-ATOM  21835  CA  GLU N  40     104.509  28.801  20.869  1.00 23.06           C  
-ATOM  21836  C   GLU N  40     104.692  28.445  19.402  1.00 22.08           C  
-ATOM  21837  O   GLU N  40     103.729  28.350  18.628  1.00 22.31           O  
-ATOM  21838  CB  GLU N  40     104.143  27.567  21.724  1.00 23.48           C  
-ATOM  21839  CG  GLU N  40     105.248  26.521  21.800  1.00 27.14           C  
-ATOM  21840  CD  GLU N  40     104.887  25.332  22.682  1.00 32.01           C  
-ATOM  21841  OE1 GLU N  40     103.694  24.937  22.730  1.00 33.04           O  
-ATOM  21842  OE2 GLU N  40     105.812  24.783  23.320  1.00 33.55           O  
-ATOM  21843  N   VAL N  41     105.938  28.245  19.035  1.00 21.08           N  
-ATOM  21844  CA  VAL N  41     106.296  27.863  17.693  1.00 20.54           C  
-ATOM  21845  C   VAL N  41     107.367  26.756  17.812  1.00 20.44           C  
-ATOM  21846  O   VAL N  41     108.248  26.774  18.690  1.00 19.79           O  
-ATOM  21847  CB  VAL N  41     106.780  29.119  16.973  1.00 20.86           C  
-ATOM  21848  CG1 VAL N  41     107.862  28.850  15.980  1.00 20.73           C  
-ATOM  21849  CG2 VAL N  41     105.612  29.898  16.367  1.00 20.35           C  
-ATOM  21850  N   ASN N  42     107.287  25.761  16.949  1.00 20.35           N  
-ATOM  21851  CA  ASN N  42     108.269  24.693  16.972  1.00 20.51           C  
-ATOM  21852  C   ASN N  42     108.691  24.427  15.544  1.00 20.80           C  
-ATOM  21853  O   ASN N  42     107.921  23.918  14.725  1.00 20.33           O  
-ATOM  21854  CB  ASN N  42     107.709  23.434  17.665  1.00 20.42           C  
-ATOM  21855  CG  ASN N  42     108.794  22.373  17.963  1.00 20.74           C  
-ATOM  21856  OD1 ASN N  42     109.678  22.106  17.141  1.00 21.24           O  
-ATOM  21857  ND2 ASN N  42     108.694  21.742  19.127  1.00 19.36           N  
-ATOM  21858  N   GLU N  43     109.922  24.809  15.238  1.00 21.28           N  
-ATOM  21859  CA  GLU N  43     110.441  24.683  13.888  1.00 21.96           C  
-ATOM  21860  C   GLU N  43     110.839  23.244  13.543  1.00 21.80           C  
-ATOM  21861  O   GLU N  43     110.908  22.907  12.374  1.00 21.61           O  
-ATOM  21862  CB  GLU N  43     111.625  25.649  13.651  1.00 22.52           C  
-ATOM  21863  CG  GLU N  43     111.687  26.223  12.233  1.00 24.13           C  
-ATOM  21864  CD  GLU N  43     112.878  27.153  11.999  1.00 27.36           C  
-ATOM  21865  OE1 GLU N  43     113.284  27.886  12.948  1.00 28.70           O  
-ATOM  21866  OE2 GLU N  43     113.419  27.165  10.858  1.00 27.35           O  
-ATOM  21867  N   ILE N  44     111.088  22.412  14.554  1.00 21.91           N  
-ATOM  21868  CA  ILE N  44     111.335  20.975  14.338  1.00 21.99           C  
-ATOM  21869  C   ILE N  44     110.032  20.250  13.960  1.00 21.64           C  
-ATOM  21870  O   ILE N  44     109.987  19.555  12.959  1.00 21.66           O  
-ATOM  21871  CB  ILE N  44     112.008  20.295  15.584  1.00 22.43           C  
-ATOM  21872  CG1 ILE N  44     113.305  21.015  16.020  1.00 22.87           C  
-ATOM  21873  CG2 ILE N  44     112.258  18.805  15.333  1.00 22.51           C  
-ATOM  21874  CD1 ILE N  44     114.368  21.150  14.940  1.00 24.06           C  
-ATOM  21875  N   THR N  45     108.966  20.442  14.741  1.00 21.15           N  
-ATOM  21876  CA  THR N  45     107.722  19.708  14.528  1.00 20.43           C  
-ATOM  21877  C   THR N  45     106.783  20.391  13.554  1.00 19.86           C  
-ATOM  21878  O   THR N  45     105.802  19.799  13.146  1.00 19.69           O  
-ATOM  21879  CB  THR N  45     106.988  19.408  15.872  1.00 20.64           C  
-ATOM  21880  OG1 THR N  45     106.583  20.634  16.515  1.00 20.58           O  
-ATOM  21881  CG2 THR N  45     107.934  18.733  16.880  1.00 20.15           C  
-ATOM  21882  N   ASN N  46     107.090  21.641  13.182  1.00 19.44           N  
-ATOM  21883  CA  ASN N  46     106.214  22.459  12.330  1.00 18.72           C  
-ATOM  21884  C   ASN N  46     104.817  22.673  12.941  1.00 18.68           C  
-ATOM  21885  O   ASN N  46     103.788  22.441  12.288  1.00 18.28           O  
-ATOM  21886  CB  ASN N  46     106.093  21.851  10.930  1.00 18.27           C  
-ATOM  21887  CG  ASN N  46     107.106  22.421   9.950  1.00 18.57           C  
-ATOM  21888  OD1 ASN N  46     107.493  23.600  10.026  1.00 17.75           O  
-ATOM  21889  ND2 ASN N  46     107.526  21.596   9.001  1.00 15.47           N  
-ATOM  21890  N   GLU N  47     104.795  23.097  14.200  1.00 18.98           N  
-ATOM  21891  CA  GLU N  47     103.551  23.281  14.941  1.00 19.52           C  
-ATOM  21892  C   GLU N  47     103.581  24.691  15.525  1.00 19.67           C  
-ATOM  21893  O   GLU N  47     104.642  25.180  15.892  1.00 19.36           O  
-ATOM  21894  CB  GLU N  47     103.400  22.209  16.046  1.00 19.68           C  
-ATOM  21895  CG  GLU N  47     103.223  20.773  15.508  1.00 21.49           C  
-ATOM  21896  CD  GLU N  47     103.279  19.680  16.577  1.00 25.63           C  
-ATOM  21897  OE1 GLU N  47     103.044  19.954  17.762  1.00 28.13           O  
-ATOM  21898  OE2 GLU N  47     103.525  18.505  16.232  1.00 27.88           O  
-ATOM  21899  N   VAL N  48     102.412  25.335  15.577  1.00 19.63           N  
-ATOM  21900  CA  VAL N  48     102.241  26.644  16.175  1.00 20.12           C  
-ATOM  21901  C   VAL N  48     100.986  26.665  17.047  1.00 20.34           C  
-ATOM  21902  O   VAL N  48      99.995  26.015  16.722  1.00 19.81           O  
-ATOM  21903  CB  VAL N  48     102.153  27.772  15.102  1.00 20.15           C  
-ATOM  21904  CG1 VAL N  48     103.326  27.719  14.195  1.00 20.60           C  
-ATOM  21905  CG2 VAL N  48     100.882  27.697  14.278  1.00 20.72           C  
-ATOM  21906  N   ASP N  49     101.056  27.421  18.145  1.00 20.69           N  
-ATOM  21907  CA  ASP N  49      99.975  27.597  19.098  1.00 21.32           C  
-ATOM  21908  C   ASP N  49      99.595  29.096  18.986  1.00 21.06           C  
-ATOM  21909  O   ASP N  49     100.439  29.955  19.204  1.00 20.21           O  
-ATOM  21910  CB  ASP N  49     100.525  27.260  20.496  1.00 22.27           C  
-ATOM  21911  CG  ASP N  49      99.446  27.063  21.554  1.00 25.06           C  
-ATOM  21912  OD1 ASP N  49      98.234  27.307  21.284  1.00 28.82           O  
-ATOM  21913  OD2 ASP N  49      99.737  26.685  22.713  1.00 28.61           O  
-ATOM  21914  N   VAL N  50      98.334  29.388  18.641  1.00 20.77           N  
-ATOM  21915  CA  VAL N  50      97.911  30.748  18.284  1.00 20.44           C  
-ATOM  21916  C   VAL N  50      96.593  31.121  18.970  1.00 19.63           C  
-ATOM  21917  O   VAL N  50      95.751  30.250  19.226  1.00 19.07           O  
-ATOM  21918  CB  VAL N  50      97.730  30.877  16.740  1.00 20.82           C  
-ATOM  21919  CG1 VAL N  50      97.297  32.250  16.375  1.00 23.07           C  
-ATOM  21920  CG2 VAL N  50      98.992  30.623  16.033  1.00 22.22           C  
-ATOM  21921  N   VAL N  51      96.440  32.416  19.279  1.00 18.65           N  
-ATOM  21922  CA  VAL N  51      95.177  33.003  19.723  1.00 17.38           C  
-ATOM  21923  C   VAL N  51      94.693  34.009  18.692  1.00 17.06           C  
-ATOM  21924  O   VAL N  51      95.424  34.923  18.345  1.00 16.53           O  
-ATOM  21925  CB  VAL N  51      95.275  33.684  21.066  1.00 17.51           C  
-ATOM  21926  CG1 VAL N  51      93.904  34.225  21.460  1.00 17.53           C  
-ATOM  21927  CG2 VAL N  51      95.764  32.747  22.128  1.00 17.07           C  
-ATOM  21928  N   PHE N  52      93.466  33.812  18.214  1.00 15.81           N  
-ATOM  21929  CA  PHE N  52      92.864  34.634  17.171  1.00 14.37           C  
-ATOM  21930  C   PHE N  52      91.398  34.839  17.528  1.00 15.27           C  
-ATOM  21931  O   PHE N  52      90.819  34.019  18.266  1.00 14.26           O  
-ATOM  21932  CB  PHE N  52      92.974  33.956  15.777  1.00 14.09           C  
-ATOM  21933  CG  PHE N  52      92.556  32.459  15.738  1.00 11.40           C  
-ATOM  21934  CD1 PHE N  52      93.464  31.464  16.027  1.00 10.24           C  
-ATOM  21935  CD2 PHE N  52      91.256  32.084  15.382  1.00 12.17           C  
-ATOM  21936  CE1 PHE N  52      93.101  30.029  15.960  1.00 12.88           C  
-ATOM  21937  CE2 PHE N  52      90.876  30.706  15.295  1.00 14.05           C  
-ATOM  21938  CZ  PHE N  52      91.788  29.678  15.632  1.00  8.38           C  
-ATOM  21939  N   TRP N  53      90.820  35.932  17.016  1.00 16.15           N  
-ATOM  21940  CA  TRP N  53      89.378  36.175  17.001  1.00 17.24           C  
-ATOM  21941  C   TRP N  53      88.873  35.723  15.647  1.00 17.82           C  
-ATOM  21942  O   TRP N  53      89.318  36.213  14.623  1.00 17.72           O  
-ATOM  21943  CB  TRP N  53      89.061  37.697  17.192  1.00 16.66           C  
-ATOM  21944  CG  TRP N  53      89.551  38.263  18.463  1.00 16.38           C  
-ATOM  21945  CD1 TRP N  53      90.009  37.572  19.558  1.00 16.40           C  
-ATOM  21946  CD2 TRP N  53      89.649  39.668  18.804  1.00 16.24           C  
-ATOM  21947  NE1 TRP N  53      90.413  38.466  20.536  1.00 17.63           N  
-ATOM  21948  CE2 TRP N  53      90.177  39.751  20.111  1.00 16.72           C  
-ATOM  21949  CE3 TRP N  53      89.349  40.855  18.126  1.00 18.13           C  
-ATOM  21950  CZ2 TRP N  53      90.417  40.971  20.755  1.00 18.70           C  
-ATOM  21951  CZ3 TRP N  53      89.579  42.066  18.762  1.00 19.50           C  
-ATOM  21952  CH2 TRP N  53      90.113  42.115  20.066  1.00 19.25           C  
-ATOM  21953  N   GLN N  54      87.947  34.778  15.635  1.00 18.69           N  
-ATOM  21954  CA  GLN N  54      87.401  34.236  14.400  1.00 19.42           C  
-ATOM  21955  C   GLN N  54      86.126  34.987  14.040  1.00 19.33           C  
-ATOM  21956  O   GLN N  54      85.029  34.568  14.370  1.00 19.27           O  
-ATOM  21957  CB  GLN N  54      87.136  32.722  14.577  1.00 20.07           C  
-ATOM  21958  CG  GLN N  54      86.690  32.000  13.320  1.00 22.83           C  
-ATOM  21959  CD  GLN N  54      86.749  30.496  13.477  1.00 28.02           C  
-ATOM  21960  OE1 GLN N  54      87.816  29.923  13.695  1.00 29.96           O  
-ATOM  21961  NE2 GLN N  54      85.607  29.851  13.384  1.00 29.25           N  
-ATOM  21962  N   GLN N  55      86.276  36.136  13.366  1.00 19.78           N  
-ATOM  21963  CA  GLN N  55      85.144  36.937  12.996  1.00 19.89           C  
-ATOM  21964  C   GLN N  55      84.307  36.186  11.956  1.00 19.99           C  
-ATOM  21965  O   GLN N  55      84.758  35.971  10.840  1.00 19.77           O  
-ATOM  21966  CB  GLN N  55      85.602  38.293  12.445  1.00 19.95           C  
-ATOM  21967  CG  GLN N  55      84.460  39.148  11.961  1.00 21.78           C  
-ATOM  21968  CD  GLN N  55      84.916  40.539  11.473  1.00 26.32           C  
-ATOM  21969  OE1 GLN N  55      86.036  40.967  11.719  1.00 28.16           O  
-ATOM  21970  NE2 GLN N  55      84.040  41.218  10.772  1.00 26.54           N  
-ATOM  21971  N   THR N  56      83.076  35.848  12.317  1.00 19.55           N  
-ATOM  21972  CA  THR N  56      82.209  35.044  11.453  1.00 19.93           C  
-ATOM  21973  C   THR N  56      80.848  35.652  11.295  1.00 19.59           C  
-ATOM  21974  O   THR N  56      80.201  35.992  12.274  1.00 19.58           O  
-ATOM  21975  CB  THR N  56      81.983  33.655  12.069  1.00 20.31           C  
-ATOM  21976  OG1 THR N  56      83.177  33.230  12.699  1.00 22.10           O  
-ATOM  21977  CG2 THR N  56      81.753  32.648  10.988  1.00 19.93           C  
-ATOM  21978  N   THR N  57      80.392  35.702  10.069  1.00 18.92           N  
-ATOM  21979  CA  THR N  57      79.299  36.555   9.701  1.00 19.64           C  
-ATOM  21980  C   THR N  57      78.433  35.777   8.721  1.00 18.89           C  
-ATOM  21981  O   THR N  57      78.967  35.040   7.874  1.00 18.19           O  
-ATOM  21982  CB  THR N  57      79.917  37.850   9.095  1.00 20.27           C  
-ATOM  21983  OG1 THR N  57      79.798  38.935  10.039  1.00 22.44           O  
-ATOM  21984  CG2 THR N  57      79.235  38.303   7.833  1.00 21.61           C  
-ATOM  21985  N   TRP N  58      77.110  35.923   8.861  1.00 17.57           N  
-ATOM  21986  CA  TRP N  58      76.164  35.333   7.935  1.00 17.68           C  
-ATOM  21987  C   TRP N  58      74.785  35.875   8.187  1.00 17.55           C  
-ATOM  21988  O   TRP N  58      74.542  36.546   9.187  1.00 17.47           O  
-ATOM  21989  CB  TRP N  58      76.121  33.792   8.075  1.00 16.67           C  
-ATOM  21990  CG  TRP N  58      75.533  33.338   9.361  1.00 16.81           C  
-ATOM  21991  CD1 TRP N  58      74.237  32.967   9.588  1.00 16.84           C  
-ATOM  21992  CD2 TRP N  58      76.217  33.150  10.603  1.00 15.30           C  
-ATOM  21993  NE1 TRP N  58      74.078  32.555  10.890  1.00 15.67           N  
-ATOM  21994  CE2 TRP N  58      75.277  32.673  11.534  1.00 14.06           C  
-ATOM  21995  CE3 TRP N  58      77.542  33.329  11.025  1.00 14.22           C  
-ATOM  21996  CZ2 TRP N  58      75.605  32.418  12.856  1.00 14.69           C  
-ATOM  21997  CZ3 TRP N  58      77.864  33.077  12.336  1.00 13.59           C  
-ATOM  21998  CH2 TRP N  58      76.907  32.632  13.238  1.00 15.41           C  
-ATOM  21999  N   SER N  59      73.865  35.507   7.312  1.00 17.74           N  
-ATOM  22000  CA  SER N  59      72.496  35.992   7.408  1.00 19.24           C  
-ATOM  22001  C   SER N  59      71.524  34.842   7.707  1.00 19.09           C  
-ATOM  22002  O   SER N  59      71.647  33.746   7.165  1.00 18.52           O  
-ATOM  22003  CB  SER N  59      72.141  36.732   6.113  1.00 19.29           C  
-ATOM  22004  OG  SER N  59      70.820  36.471   5.720  1.00 22.64           O  
-ATOM  22005  N   ASP N  60      70.595  35.092   8.617  1.00 19.62           N  
-ATOM  22006  CA  ASP N  60      69.541  34.109   8.926  1.00 19.99           C  
-ATOM  22007  C   ASP N  60      68.224  34.855   9.065  1.00 19.76           C  
-ATOM  22008  O   ASP N  60      67.963  35.496  10.076  1.00 19.32           O  
-ATOM  22009  CB  ASP N  60      69.883  33.318  10.199  1.00 20.27           C  
-ATOM  22010  CG  ASP N  60      68.882  32.229  10.510  1.00 22.13           C  
-ATOM  22011  OD1 ASP N  60      67.772  32.181   9.906  1.00 22.11           O  
-ATOM  22012  OD2 ASP N  60      69.127  31.382  11.382  1.00 24.51           O  
-ATOM  22013  N   ARG N  61      67.426  34.783   8.013  1.00 19.86           N  
-ATOM  22014  CA  ARG N  61      66.213  35.565   7.862  1.00 20.64           C  
-ATOM  22015  C   ARG N  61      65.072  35.114   8.770  1.00 20.54           C  
-ATOM  22016  O   ARG N  61      64.112  35.858   8.960  1.00 19.68           O  
-ATOM  22017  CB  ARG N  61      65.765  35.545   6.398  1.00 21.25           C  
-ATOM  22018  CG  ARG N  61      66.843  35.960   5.373  1.00 23.38           C  
-ATOM  22019  CD  ARG N  61      67.508  37.319   5.647  1.00 28.80           C  
-ATOM  22020  NE  ARG N  61      67.423  38.224   4.500  1.00 30.31           N  
-ATOM  22021  CZ  ARG N  61      68.415  39.012   4.076  1.00 30.99           C  
-ATOM  22022  NH1 ARG N  61      69.594  39.010   4.693  1.00 31.43           N  
-ATOM  22023  NH2 ARG N  61      68.227  39.797   3.024  1.00 28.39           N  
-ATOM  22024  N   THR N  62      65.183  33.893   9.324  1.00 20.77           N  
-ATOM  22025  CA  THR N  62      64.221  33.414  10.302  1.00 21.12           C  
-ATOM  22026  C   THR N  62      64.364  34.133  11.643  1.00 20.78           C  
-ATOM  22027  O   THR N  62      63.457  34.049  12.469  1.00 20.80           O  
-ATOM  22028  CB  THR N  62      64.306  31.866  10.503  1.00 21.39           C  
-ATOM  22029  OG1 THR N  62      65.556  31.515  11.109  1.00 22.88           O  
-ATOM  22030  CG2 THR N  62      64.331  31.120   9.150  1.00 22.18           C  
-ATOM  22031  N   LEU N  63      65.493  34.816  11.862  1.00 19.92           N  
-ATOM  22032  CA  LEU N  63      65.746  35.526  13.109  1.00 19.58           C  
-ATOM  22033  C   LEU N  63      65.182  36.952  13.088  1.00 19.78           C  
-ATOM  22034  O   LEU N  63      65.043  37.575  14.127  1.00 19.79           O  
-ATOM  22035  CB  LEU N  63      67.254  35.601  13.375  1.00 19.23           C  
-ATOM  22036  CG  LEU N  63      68.058  34.317  13.526  1.00 20.58           C  
-ATOM  22037  CD1 LEU N  63      69.476  34.664  13.827  1.00 18.88           C  
-ATOM  22038  CD2 LEU N  63      67.460  33.412  14.648  1.00 19.64           C  
-ATOM  22039  N   ALA N  64      64.888  37.450  11.889  1.00 19.34           N  
-ATOM  22040  CA  ALA N  64      64.520  38.849  11.671  1.00 19.02           C  
-ATOM  22041  C   ALA N  64      63.269  39.282  12.418  1.00 19.00           C  
-ATOM  22042  O   ALA N  64      62.323  38.520  12.545  1.00 19.05           O  
-ATOM  22043  CB  ALA N  64      64.338  39.114  10.165  1.00 18.79           C  
-ATOM  22044  N   TRP N  65      63.260  40.532  12.884  1.00 18.81           N  
-ATOM  22045  CA  TRP N  65      62.070  41.103  13.493  1.00 18.72           C  
-ATOM  22046  C   TRP N  65      61.925  42.543  13.019  1.00 19.29           C  
-ATOM  22047  O   TRP N  65      62.896  43.144  12.563  1.00 19.04           O  
-ATOM  22048  CB  TRP N  65      62.136  41.022  15.017  1.00 18.14           C  
-ATOM  22049  CG  TRP N  65      63.197  41.894  15.636  1.00 16.54           C  
-ATOM  22050  CD1 TRP N  65      63.048  43.168  16.090  1.00 15.38           C  
-ATOM  22051  CD2 TRP N  65      64.565  41.541  15.875  1.00 14.23           C  
-ATOM  22052  NE1 TRP N  65      64.235  43.639  16.599  1.00 13.75           N  
-ATOM  22053  CE2 TRP N  65      65.188  42.670  16.474  1.00 13.10           C  
-ATOM  22054  CE3 TRP N  65      65.335  40.388  15.633  1.00 12.73           C  
-ATOM  22055  CZ2 TRP N  65      66.532  42.682  16.847  1.00 12.16           C  
-ATOM  22056  CZ3 TRP N  65      66.673  40.399  16.001  1.00 12.77           C  
-ATOM  22057  CH2 TRP N  65      67.261  41.538  16.608  1.00 12.28           C  
-ATOM  22058  N   ASN N  66      60.705  43.060  13.094  1.00 19.94           N  
-ATOM  22059  CA  ASN N  66      60.413  44.469  12.789  1.00 20.96           C  
-ATOM  22060  C   ASN N  66      60.960  45.398  13.872  1.00 20.75           C  
-ATOM  22061  O   ASN N  66      60.374  45.513  14.952  1.00 21.17           O  
-ATOM  22062  CB  ASN N  66      58.903  44.667  12.620  1.00 21.23           C  
-ATOM  22063  CG  ASN N  66      58.551  46.048  12.116  1.00 23.17           C  
-ATOM  22064  OD1 ASN N  66      59.302  47.022  12.322  1.00 23.47           O  
-ATOM  22065  ND2 ASN N  66      57.398  46.159  11.444  1.00 25.45           N  
-ATOM  22066  N   SER N  67      62.098  46.028  13.570  1.00 20.44           N  
-ATOM  22067  CA  SER N  67      62.752  46.950  14.509  1.00 20.75           C  
-ATOM  22068  C   SER N  67      62.452  48.446  14.255  1.00 21.04           C  
-ATOM  22069  O   SER N  67      63.236  49.313  14.649  1.00 20.94           O  
-ATOM  22070  CB  SER N  67      64.256  46.743  14.516  1.00 20.39           C  
-ATOM  22071  OG  SER N  67      64.816  47.145  13.276  1.00 20.53           O  
-ATOM  22072  N   SER N  68      61.326  48.748  13.624  1.00 21.76           N  
-ATOM  22073  CA  SER N  68      60.943  50.151  13.406  1.00 22.89           C  
-ATOM  22074  C   SER N  68      60.819  50.909  14.747  1.00 23.45           C  
-ATOM  22075  O   SER N  68      61.219  52.069  14.853  1.00 24.18           O  
-ATOM  22076  CB  SER N  68      59.636  50.235  12.621  1.00 22.96           C  
-ATOM  22077  OG  SER N  68      58.552  49.713  13.384  1.00 23.19           O  
-ATOM  22078  N   HIS N  69      60.300  50.225  15.768  1.00 23.83           N  
-ATOM  22079  CA  HIS N  69      60.105  50.806  17.091  1.00 23.30           C  
-ATOM  22080  C   HIS N  69      60.651  49.963  18.259  1.00 23.43           C  
-ATOM  22081  O   HIS N  69      60.153  50.089  19.366  1.00 23.99           O  
-ATOM  22082  CB  HIS N  69      58.625  51.051  17.267  1.00 23.88           C  
-ATOM  22083  CG  HIS N  69      58.052  51.911  16.186  1.00 25.44           C  
-ATOM  22084  ND1 HIS N  69      58.174  53.286  16.189  1.00 25.28           N  
-ATOM  22085  CD2 HIS N  69      57.416  51.589  15.033  1.00 26.26           C  
-ATOM  22086  CE1 HIS N  69      57.610  53.775  15.097  1.00 26.13           C  
-ATOM  22087  NE2 HIS N  69      57.147  52.766  14.377  1.00 25.62           N  
-ATOM  22088  N   SER N  70      61.688  49.156  18.002  1.00 22.24           N  
-ATOM  22089  CA  SER N  70      62.297  48.209  18.951  1.00 22.11           C  
-ATOM  22090  C   SER N  70      63.813  48.273  18.851  1.00 21.69           C  
-ATOM  22091  O   SER N  70      64.329  48.780  17.857  1.00 21.65           O  
-ATOM  22092  CB  SER N  70      61.866  46.781  18.595  1.00 21.92           C  
-ATOM  22093  OG  SER N  70      60.453  46.664  18.572  1.00 22.57           O  
-ATOM  22094  N   PRO N  71      64.535  47.763  19.854  1.00 21.63           N  
-ATOM  22095  CA  PRO N  71      65.988  47.586  19.725  1.00 21.16           C  
-ATOM  22096  C   PRO N  71      66.299  46.860  18.424  1.00 20.96           C  
-ATOM  22097  O   PRO N  71      65.570  45.937  18.042  1.00 20.59           O  
-ATOM  22098  CB  PRO N  71      66.327  46.681  20.908  1.00 21.19           C  
-ATOM  22099  CG  PRO N  71      65.314  46.997  21.917  1.00 21.56           C  
-ATOM  22100  CD  PRO N  71      64.045  47.323  21.177  1.00 21.50           C  
-ATOM  22101  N   ASP N  72      67.356  47.251  17.728  1.00 20.77           N  
-ATOM  22102  CA  ASP N  72      67.614  46.588  16.458  1.00 21.49           C  
-ATOM  22103  C   ASP N  72      68.711  45.531  16.476  1.00 20.08           C  
-ATOM  22104  O   ASP N  72      68.999  44.963  15.432  1.00 20.05           O  
-ATOM  22105  CB  ASP N  72      67.864  47.621  15.355  1.00 22.66           C  
-ATOM  22106  CG  ASP N  72      69.271  48.111  15.363  1.00 26.33           C  
-ATOM  22107  OD1 ASP N  72      69.775  48.383  16.477  1.00 30.05           O  
-ATOM  22108  OD2 ASP N  72      69.957  48.228  14.323  1.00 31.59           O  
-ATOM  22109  N   GLN N  73      69.331  45.318  17.646  1.00 18.67           N  
-ATOM  22110  CA  GLN N  73      70.360  44.280  17.865  1.00 17.80           C  
-ATOM  22111  C   GLN N  73      70.239  43.663  19.253  1.00 16.52           C  
-ATOM  22112  O   GLN N  73      69.882  44.344  20.206  1.00 15.52           O  
-ATOM  22113  CB  GLN N  73      71.779  44.833  17.762  1.00 18.01           C  
-ATOM  22114  CG  GLN N  73      72.246  45.150  16.390  1.00 20.68           C  
-ATOM  22115  CD  GLN N  73      73.712  45.516  16.315  1.00 22.48           C  
-ATOM  22116  OE1 GLN N  73      74.553  44.901  16.964  1.00 24.14           O  
-ATOM  22117  NE2 GLN N  73      74.031  46.487  15.470  1.00 20.34           N  
-ATOM  22118  N   VAL N  74      70.564  42.381  19.361  1.00 14.99           N  
-ATOM  22119  CA  VAL N  74      70.630  41.715  20.654  1.00 14.28           C  
-ATOM  22120  C   VAL N  74      71.795  40.717  20.664  1.00 14.61           C  
-ATOM  22121  O   VAL N  74      72.214  40.250  19.601  1.00 13.85           O  
-ATOM  22122  CB  VAL N  74      69.302  40.968  20.998  1.00 14.50           C  
-ATOM  22123  CG1 VAL N  74      68.181  41.928  21.229  1.00 13.61           C  
-ATOM  22124  CG2 VAL N  74      68.916  39.921  19.911  1.00 12.52           C  
-ATOM  22125  N   SER N  75      72.308  40.407  21.860  1.00 14.32           N  
-ATOM  22126  CA  SER N  75      73.246  39.308  22.047  1.00 15.05           C  
-ATOM  22127  C   SER N  75      72.482  38.006  22.359  1.00 15.54           C  
-ATOM  22128  O   SER N  75      71.622  37.983  23.232  1.00 15.89           O  
-ATOM  22129  CB  SER N  75      74.212  39.611  23.186  1.00 15.07           C  
-ATOM  22130  OG  SER N  75      75.020  40.743  22.882  1.00 14.88           O  
-ATOM  22131  N   VAL N  76      72.830  36.931  21.667  1.00 15.64           N  
-ATOM  22132  CA  VAL N  76      72.136  35.642  21.780  1.00 15.77           C  
-ATOM  22133  C   VAL N  76      73.107  34.460  22.043  1.00 16.07           C  
-ATOM  22134  O   VAL N  76      74.124  34.343  21.400  1.00 15.29           O  
-ATOM  22135  CB  VAL N  76      71.311  35.361  20.493  1.00 16.29           C  
-ATOM  22136  CG1 VAL N  76      70.458  34.097  20.657  1.00 14.57           C  
-ATOM  22137  CG2 VAL N  76      70.409  36.581  20.134  1.00 14.59           C  
-ATOM  22138  N   PRO N  77      72.799  33.580  22.997  1.00 16.76           N  
-ATOM  22139  CA  PRO N  77      73.627  32.367  23.184  1.00 17.26           C  
-ATOM  22140  C   PRO N  77      73.651  31.577  21.875  1.00 17.28           C  
-ATOM  22141  O   PRO N  77      72.609  31.428  21.243  1.00 16.52           O  
-ATOM  22142  CB  PRO N  77      72.903  31.559  24.279  1.00 17.24           C  
-ATOM  22143  CG  PRO N  77      71.952  32.565  24.988  1.00 18.16           C  
-ATOM  22144  CD  PRO N  77      71.685  33.683  23.962  1.00 16.95           C  
-ATOM  22145  N   ILE N  78      74.822  31.119  21.450  1.00 18.06           N  
-ATOM  22146  CA  ILE N  78      74.900  30.406  20.173  1.00 19.33           C  
-ATOM  22147  C   ILE N  78      74.121  29.112  20.211  1.00 20.09           C  
-ATOM  22148  O   ILE N  78      73.701  28.617  19.150  1.00 20.55           O  
-ATOM  22149  CB  ILE N  78      76.348  30.177  19.702  1.00 19.81           C  
-ATOM  22150  CG1 ILE N  78      77.142  29.319  20.695  1.00 20.65           C  
-ATOM  22151  CG2 ILE N  78      77.044  31.459  19.515  1.00 18.72           C  
-ATOM  22152  CD1 ILE N  78      78.403  28.699  20.049  1.00 23.65           C  
-ATOM  22153  N   SER N  79      73.848  28.600  21.416  1.00 20.01           N  
-ATOM  22154  CA  SER N  79      72.986  27.426  21.529  1.00 21.32           C  
-ATOM  22155  C   SER N  79      71.580  27.669  21.012  1.00 21.14           C  
-ATOM  22156  O   SER N  79      70.854  26.711  20.733  1.00 20.97           O  
-ATOM  22157  CB  SER N  79      72.927  26.885  22.973  1.00 22.05           C  
-ATOM  22158  OG  SER N  79      72.246  27.786  23.880  1.00 24.66           O  
-ATOM  22159  N   SER N  80      71.184  28.942  20.911  1.00 20.57           N  
-ATOM  22160  CA  SER N  80      69.847  29.291  20.388  1.00 21.08           C  
-ATOM  22161  C   SER N  80      69.859  29.663  18.895  1.00 20.51           C  
-ATOM  22162  O   SER N  80      68.842  30.034  18.343  1.00 21.17           O  
-ATOM  22163  CB  SER N  80      69.240  30.446  21.178  1.00 20.68           C  
-ATOM  22164  OG  SER N  80      68.888  29.991  22.476  1.00 24.12           O  
-ATOM  22165  N   LEU N  81      71.004  29.551  18.252  1.00 19.77           N  
-ATOM  22166  CA  LEU N  81      71.144  29.938  16.856  1.00 19.78           C  
-ATOM  22167  C   LEU N  81      71.744  28.834  16.051  1.00 18.60           C  
-ATOM  22168  O   LEU N  81      72.595  28.119  16.557  1.00 17.93           O  
-ATOM  22169  CB  LEU N  81      72.162  31.093  16.739  1.00 20.27           C  
-ATOM  22170  CG  LEU N  81      71.861  32.406  17.401  1.00 21.84           C  
-ATOM  22171  CD1 LEU N  81      72.934  33.389  16.970  1.00 22.67           C  
-ATOM  22172  CD2 LEU N  81      70.494  32.843  16.903  1.00 24.45           C  
-ATOM  22173  N   TRP N  82      71.412  28.778  14.760  1.00 18.03           N  
-ATOM  22174  CA  TRP N  82      72.250  27.963  13.855  1.00 17.67           C  
-ATOM  22175  C   TRP N  82      73.574  28.730  13.673  1.00 17.86           C  
-ATOM  22176  O   TRP N  82      73.563  29.937  13.467  1.00 17.55           O  
-ATOM  22177  CB  TRP N  82      71.609  27.745  12.488  1.00 16.50           C  
-ATOM  22178  CG  TRP N  82      72.512  27.008  11.510  1.00 17.07           C  
-ATOM  22179  CD1 TRP N  82      72.625  25.627  11.360  1.00 16.06           C  
-ATOM  22180  CD2 TRP N  82      73.394  27.583  10.543  1.00 16.03           C  
-ATOM  22181  NE1 TRP N  82      73.536  25.332  10.378  1.00 16.51           N  
-ATOM  22182  CE2 TRP N  82      74.012  26.506   9.841  1.00 16.72           C  
-ATOM  22183  CE3 TRP N  82      73.739  28.914  10.190  1.00 15.31           C  
-ATOM  22184  CZ2 TRP N  82      74.938  26.711   8.826  1.00 15.13           C  
-ATOM  22185  CZ3 TRP N  82      74.658  29.130   9.190  1.00 15.14           C  
-ATOM  22186  CH2 TRP N  82      75.259  28.037   8.499  1.00 16.22           C  
-ATOM  22187  N   VAL N  83      74.682  27.989  13.672  1.00 18.28           N  
-ATOM  22188  CA  VAL N  83      76.022  28.512  13.524  1.00 18.35           C  
-ATOM  22189  C   VAL N  83      76.748  27.633  12.501  1.00 18.42           C  
-ATOM  22190  O   VAL N  83      76.597  26.408  12.532  1.00 18.59           O  
-ATOM  22191  CB  VAL N  83      76.728  28.468  14.905  1.00 19.00           C  
-ATOM  22192  CG1 VAL N  83      78.233  28.631  14.776  1.00 21.10           C  
-ATOM  22193  CG2 VAL N  83      76.180  29.518  15.815  1.00 19.09           C  
-ATOM  22194  N   PRO N  84      77.504  28.216  11.573  1.00 18.52           N  
-ATOM  22195  CA  PRO N  84      78.161  27.398  10.538  1.00 18.80           C  
-ATOM  22196  C   PRO N  84      79.138  26.407  11.183  1.00 18.27           C  
-ATOM  22197  O   PRO N  84      79.847  26.761  12.145  1.00 17.71           O  
-ATOM  22198  CB  PRO N  84      78.925  28.411   9.662  1.00 18.43           C  
-ATOM  22199  CG  PRO N  84      78.650  29.779  10.242  1.00 19.08           C  
-ATOM  22200  CD  PRO N  84      77.774  29.664  11.426  1.00 18.74           C  
-ATOM  22201  N   ASP N  85      79.163  25.189  10.655  1.00 17.53           N  
-ATOM  22202  CA  ASP N  85      79.983  24.106  11.214  1.00 17.52           C  
-ATOM  22203  C   ASP N  85      81.443  24.196  10.699  1.00 17.20           C  
-ATOM  22204  O   ASP N  85      81.936  23.280  10.031  1.00 17.17           O  
-ATOM  22205  CB  ASP N  85      79.329  22.741  10.860  1.00 17.03           C  
-ATOM  22206  CG  ASP N  85      79.315  22.463   9.371  1.00 19.01           C  
-ATOM  22207  OD1 ASP N  85      79.245  23.429   8.567  1.00 18.38           O  
-ATOM  22208  OD2 ASP N  85      79.407  21.297   8.902  1.00 20.35           O  
-ATOM  22209  N   LEU N  86      82.117  25.309  10.991  1.00 16.87           N  
-ATOM  22210  CA  LEU N  86      83.450  25.587  10.462  1.00 17.11           C  
-ATOM  22211  C   LEU N  86      84.490  24.820  11.241  1.00 17.22           C  
-ATOM  22212  O   LEU N  86      84.393  24.699  12.445  1.00 17.29           O  
-ATOM  22213  CB  LEU N  86      83.782  27.072  10.510  1.00 16.94           C  
-ATOM  22214  CG  LEU N  86      82.891  27.989   9.651  1.00 17.12           C  
-ATOM  22215  CD1 LEU N  86      83.331  29.405   9.818  1.00 17.50           C  
-ATOM  22216  CD2 LEU N  86      82.880  27.550   8.164  1.00 15.65           C  
-ATOM  22217  N   ALA N  87      85.494  24.322  10.537  1.00 17.08           N  
-ATOM  22218  CA  ALA N  87      86.609  23.666  11.180  1.00 17.28           C  
-ATOM  22219  C   ALA N  87      87.901  24.080  10.494  1.00 17.23           C  
-ATOM  22220  O   ALA N  87      87.909  24.329   9.297  1.00 17.29           O  
-ATOM  22221  CB  ALA N  87      86.406  22.124  11.146  1.00 17.06           C  
-ATOM  22222  N   ALA N  88      88.984  24.178  11.260  1.00 17.39           N  
-ATOM  22223  CA  ALA N  88      90.321  24.347  10.696  1.00 17.32           C  
-ATOM  22224  C   ALA N  88      90.915  22.981  10.306  1.00 17.68           C  
-ATOM  22225  O   ALA N  88      91.120  22.122  11.182  1.00 18.12           O  
-ATOM  22226  CB  ALA N  88      91.213  25.057  11.694  1.00 17.48           C  
-ATOM  22227  N   TYR N  89      91.181  22.762   9.012  1.00 16.98           N  
-ATOM  22228  CA  TYR N  89      91.599  21.430   8.522  1.00 17.11           C  
-ATOM  22229  C   TYR N  89      92.968  20.970   8.992  1.00 16.89           C  
-ATOM  22230  O   TYR N  89      93.261  19.775   8.970  1.00 17.42           O  
-ATOM  22231  CB  TYR N  89      91.610  21.391   6.999  1.00 17.13           C  
-ATOM  22232  CG  TYR N  89      90.260  21.192   6.348  1.00 18.12           C  
-ATOM  22233  CD1 TYR N  89      89.225  22.101   6.541  1.00 18.85           C  
-ATOM  22234  CD2 TYR N  89      90.026  20.105   5.526  1.00 18.52           C  
-ATOM  22235  CE1 TYR N  89      87.989  21.943   5.929  1.00 21.44           C  
-ATOM  22236  CE2 TYR N  89      88.786  19.933   4.909  1.00 19.54           C  
-ATOM  22237  CZ  TYR N  89      87.777  20.856   5.100  1.00 22.47           C  
-ATOM  22238  OH  TYR N  89      86.539  20.707   4.512  1.00 24.30           O  
-ATOM  22239  N   ASN N  90      93.827  21.912   9.344  1.00 15.83           N  
-ATOM  22240  CA  ASN N  90      95.161  21.589   9.833  1.00 15.53           C  
-ATOM  22241  C   ASN N  90      95.345  21.783  11.325  1.00 15.16           C  
-ATOM  22242  O   ASN N  90      96.466  21.790  11.801  1.00 14.90           O  
-ATOM  22243  CB  ASN N  90      96.248  22.308   9.021  1.00 15.25           C  
-ATOM  22244  CG  ASN N  90      96.114  23.851   9.050  1.00 16.40           C  
-ATOM  22245  OD1 ASN N  90      95.017  24.426   8.995  1.00 16.18           O  
-ATOM  22246  ND2 ASN N  90      97.257  24.513   9.132  1.00 14.88           N  
-ATOM  22247  N   ALA N  91      94.236  21.930  12.051  1.00 14.84           N  
-ATOM  22248  CA  ALA N  91      94.257  22.031  13.500  1.00 15.23           C  
-ATOM  22249  C   ALA N  91      94.622  20.691  14.113  1.00 15.24           C  
-ATOM  22250  O   ALA N  91      94.248  19.617  13.592  1.00 14.54           O  
-ATOM  22251  CB  ALA N  91      92.900  22.482  14.037  1.00 15.37           C  
-ATOM  22252  N   ILE N  92      95.392  20.749  15.188  1.00 15.29           N  
-ATOM  22253  CA  ILE N  92      95.866  19.528  15.841  1.00 16.59           C  
-ATOM  22254  C   ILE N  92      95.439  19.506  17.308  1.00 17.04           C  
-ATOM  22255  O   ILE N  92      95.805  18.613  18.071  1.00 17.09           O  
-ATOM  22256  CB  ILE N  92      97.406  19.313  15.661  1.00 16.66           C  
-ATOM  22257  CG1 ILE N  92      98.182  20.543  16.173  1.00 16.46           C  
-ATOM  22258  CG2 ILE N  92      97.731  18.965  14.175  1.00 15.38           C  
-ATOM  22259  CD1 ILE N  92      99.722  20.261  16.379  1.00 16.21           C  
-ATOM  22260  N   SER N  93      94.639  20.482  17.683  1.00 17.40           N  
-ATOM  22261  CA  SER N  93      94.008  20.505  18.991  1.00 18.54           C  
-ATOM  22262  C   SER N  93      92.578  20.971  18.794  1.00 19.42           C  
-ATOM  22263  O   SER N  93      92.252  21.603  17.758  1.00 19.55           O  
-ATOM  22264  CB  SER N  93      94.766  21.440  19.951  1.00 18.60           C  
-ATOM  22265  OG  SER N  93      94.604  22.820  19.571  1.00 18.64           O  
-ATOM  22266  N   LYS N  94      91.728  20.684  19.778  1.00 20.78           N  
-ATOM  22267  CA  LYS N  94      90.353  21.159  19.686  1.00 22.98           C  
-ATOM  22268  C   LYS N  94      90.339  22.654  19.998  1.00 22.95           C  
-ATOM  22269  O   LYS N  94      91.170  23.147  20.772  1.00 23.16           O  
-ATOM  22270  CB  LYS N  94      89.362  20.323  20.528  1.00 23.69           C  
-ATOM  22271  CG  LYS N  94      89.385  20.505  22.035  1.00 27.46           C  
-ATOM  22272  CD  LYS N  94      87.964  20.354  22.639  1.00 31.21           C  
-ATOM  22273  CE  LYS N  94      87.523  18.881  22.735  1.00 33.39           C  
-ATOM  22274  NZ  LYS N  94      86.985  18.528  24.113  1.00 33.02           N  
-ATOM  22275  N   PRO N  95      89.439  23.385  19.376  1.00 23.30           N  
-ATOM  22276  CA  PRO N  95      89.493  24.845  19.521  1.00 23.11           C  
-ATOM  22277  C   PRO N  95      89.132  25.104  20.972  1.00 23.26           C  
-ATOM  22278  O   PRO N  95      88.162  24.533  21.449  1.00 24.63           O  
-ATOM  22279  CB  PRO N  95      88.430  25.371  18.549  1.00 22.63           C  
-ATOM  22280  CG  PRO N  95      87.685  24.097  17.964  1.00 22.97           C  
-ATOM  22281  CD  PRO N  95      88.284  22.903  18.592  1.00 23.52           C  
-ATOM  22282  N   GLU N  96      89.948  25.875  21.670  1.00 22.60           N  
-ATOM  22283  CA  GLU N  96      89.640  26.342  23.000  1.00 23.03           C  
-ATOM  22284  C   GLU N  96      89.032  27.770  22.899  1.00 22.04           C  
-ATOM  22285  O   GLU N  96      89.733  28.717  22.526  1.00 21.75           O  
-ATOM  22286  CB  GLU N  96      90.944  26.370  23.784  1.00 23.53           C  
-ATOM  22287  CG  GLU N  96      90.816  26.665  25.273  1.00 28.54           C  
-ATOM  22288  CD  GLU N  96      92.156  26.630  25.991  1.00 34.99           C  
-ATOM  22289  OE1 GLU N  96      93.098  25.950  25.486  1.00 38.41           O  
-ATOM  22290  OE2 GLU N  96      92.283  27.270  27.061  1.00 38.03           O  
-ATOM  22291  N   VAL N  97      87.733  27.896  23.187  1.00 21.08           N  
-ATOM  22292  CA  VAL N  97      87.016  29.173  23.106  1.00 19.87           C  
-ATOM  22293  C   VAL N  97      87.252  29.918  24.410  1.00 19.87           C  
-ATOM  22294  O   VAL N  97      86.945  29.399  25.495  1.00 18.94           O  
-ATOM  22295  CB  VAL N  97      85.479  28.979  22.860  1.00 20.34           C  
-ATOM  22296  CG1 VAL N  97      84.766  30.357  22.696  1.00 19.04           C  
-ATOM  22297  CG2 VAL N  97      85.195  28.087  21.623  1.00 18.86           C  
-ATOM  22298  N   LEU N  98      87.800  31.132  24.312  1.00 19.10           N  
-ATOM  22299  CA  LEU N  98      88.189  31.866  25.514  1.00 19.17           C  
-ATOM  22300  C   LEU N  98      87.136  32.839  26.014  1.00 18.93           C  
-ATOM  22301  O   LEU N  98      87.255  33.335  27.125  1.00 19.48           O  
-ATOM  22302  CB  LEU N  98      89.526  32.604  25.292  1.00 19.14           C  
-ATOM  22303  CG  LEU N  98      90.702  31.768  24.755  1.00 20.27           C  
-ATOM  22304  CD1 LEU N  98      91.911  32.675  24.490  1.00 19.13           C  
-ATOM  22305  CD2 LEU N  98      91.078  30.610  25.655  1.00 20.07           C  
-ATOM  22306  N   THR N  99      86.115  33.118  25.205  1.00 18.35           N  
-ATOM  22307  CA  THR N  99      85.165  34.209  25.478  1.00 18.30           C  
-ATOM  22308  C   THR N  99      83.742  33.671  25.674  1.00 18.45           C  
-ATOM  22309  O   THR N  99      83.468  32.536  25.293  1.00 18.50           O  
-ATOM  22310  CB  THR N  99      85.151  35.196  24.283  1.00 17.75           C  
-ATOM  22311  OG1 THR N  99      85.298  34.426  23.084  1.00 17.21           O  
-ATOM  22312  CG2 THR N  99      86.349  36.078  24.304  1.00 16.40           C  
-ATOM  22313  N   PRO N 100      82.835  34.500  26.222  1.00 18.86           N  
-ATOM  22314  CA  PRO N 100      81.401  34.150  26.293  1.00 18.48           C  
-ATOM  22315  C   PRO N 100      80.848  33.755  24.923  1.00 19.02           C  
-ATOM  22316  O   PRO N 100      81.147  34.375  23.910  1.00 18.13           O  
-ATOM  22317  CB  PRO N 100      80.746  35.426  26.838  1.00 18.78           C  
-ATOM  22318  CG  PRO N 100      81.839  36.099  27.612  1.00 19.23           C  
-ATOM  22319  CD  PRO N 100      83.113  35.814  26.838  1.00 18.02           C  
-ATOM  22320  N   GLN N 101      80.073  32.671  24.880  1.00 18.94           N  
-ATOM  22321  CA  GLN N 101      79.611  32.173  23.582  1.00 19.82           C  
-ATOM  22322  C   GLN N 101      78.304  32.854  23.155  1.00 19.41           C  
-ATOM  22323  O   GLN N 101      77.247  32.231  23.085  1.00 19.67           O  
-ATOM  22324  CB  GLN N 101      79.528  30.639  23.587  1.00 19.87           C  
-ATOM  22325  CG  GLN N 101      80.953  30.039  23.662  1.00 24.08           C  
-ATOM  22326  CD  GLN N 101      80.991  28.528  23.834  1.00 28.93           C  
-ATOM  22327  OE1 GLN N 101      80.298  27.801  23.136  1.00 31.58           O  
-ATOM  22328  NE2 GLN N 101      81.828  28.054  24.754  1.00 29.79           N  
-ATOM  22329  N   LEU N 102      78.394  34.148  22.839  1.00 18.88           N  
-ATOM  22330  CA  LEU N 102      77.217  34.903  22.425  1.00 18.14           C  
-ATOM  22331  C   LEU N 102      77.463  35.466  21.072  1.00 17.58           C  
-ATOM  22332  O   LEU N 102      78.611  35.829  20.763  1.00 16.94           O  
-ATOM  22333  CB  LEU N 102      76.930  36.036  23.401  1.00 18.12           C  
-ATOM  22334  CG  LEU N 102      76.805  35.709  24.894  1.00 20.91           C  
-ATOM  22335  CD1 LEU N 102      76.768  37.000  25.754  1.00 21.18           C  
-ATOM  22336  CD2 LEU N 102      75.590  34.868  25.172  1.00 20.14           C  
-ATOM  22337  N   ALA N 103      76.395  35.547  20.269  1.00 16.81           N  
-ATOM  22338  CA  ALA N 103      76.471  36.126  18.934  1.00 16.57           C  
-ATOM  22339  C   ALA N 103      75.662  37.396  18.979  1.00 17.09           C  
-ATOM  22340  O   ALA N 103      74.753  37.541  19.802  1.00 17.57           O  
-ATOM  22341  CB  ALA N 103      75.899  35.177  17.861  1.00 16.16           C  
-ATOM  22342  N   ARG N 104      76.032  38.336  18.127  1.00 16.55           N  
-ATOM  22343  CA  ARG N 104      75.270  39.544  17.974  1.00 16.28           C  
-ATOM  22344  C   ARG N 104      74.331  39.348  16.780  1.00 15.96           C  
-ATOM  22345  O   ARG N 104      74.768  38.933  15.707  1.00 15.70           O  
-ATOM  22346  CB  ARG N 104      76.229  40.715  17.809  1.00 16.30           C  
-ATOM  22347  CG  ARG N 104      75.607  42.011  18.083  1.00 18.15           C  
-ATOM  22348  CD  ARG N 104      75.384  42.312  19.570  1.00 18.02           C  
-ATOM  22349  NE  ARG N 104      74.836  43.652  19.664  1.00 16.43           N  
-ATOM  22350  CZ  ARG N 104      74.211  44.158  20.730  1.00 17.66           C  
-ATOM  22351  NH1 ARG N 104      74.079  43.435  21.859  1.00 13.82           N  
-ATOM  22352  NH2 ARG N 104      73.737  45.420  20.675  1.00 14.90           N  
-ATOM  22353  N   VAL N 105      73.028  39.573  16.990  1.00 15.62           N  
-ATOM  22354  CA  VAL N 105      72.018  39.360  15.944  1.00 14.88           C  
-ATOM  22355  C   VAL N 105      71.300  40.689  15.677  1.00 15.26           C  
-ATOM  22356  O   VAL N 105      70.761  41.278  16.597  1.00 14.98           O  
-ATOM  22357  CB  VAL N 105      70.973  38.298  16.356  1.00 15.21           C  
-ATOM  22358  CG1 VAL N 105      69.904  38.123  15.268  1.00 14.40           C  
-ATOM  22359  CG2 VAL N 105      71.639  36.931  16.664  1.00 14.83           C  
-ATOM  22360  N   VAL N 106      71.304  41.129  14.421  1.00 14.99           N  
-ATOM  22361  CA  VAL N 106      70.689  42.391  13.984  1.00 15.00           C  
-ATOM  22362  C   VAL N 106      69.276  42.081  13.498  1.00 14.80           C  
-ATOM  22363  O   VAL N 106      69.021  40.983  13.057  1.00 14.22           O  
-ATOM  22364  CB  VAL N 106      71.548  43.071  12.870  1.00 15.31           C  
-ATOM  22365  CG1 VAL N 106      71.013  44.467  12.482  1.00 13.27           C  
-ATOM  22366  CG2 VAL N 106      72.998  43.138  13.314  1.00 15.31           C  
-ATOM  22367  N   SER N 107      68.361  43.041  13.599  1.00 15.00           N  
-ATOM  22368  CA  SER N 107      66.950  42.801  13.273  1.00 15.60           C  
-ATOM  22369  C   SER N 107      66.668  42.289  11.857  1.00 16.11           C  
-ATOM  22370  O   SER N 107      65.613  41.735  11.606  1.00 15.66           O  
-ATOM  22371  CB  SER N 107      66.133  44.053  13.540  1.00 15.57           C  
-ATOM  22372  OG  SER N 107      66.418  45.035  12.597  1.00 15.16           O  
-ATOM  22373  N   ASP N 108      67.592  42.500  10.924  1.00 16.96           N  
-ATOM  22374  CA  ASP N 108      67.401  42.005   9.558  1.00 18.10           C  
-ATOM  22375  C   ASP N 108      67.925  40.576   9.387  1.00 18.02           C  
-ATOM  22376  O   ASP N 108      67.857  40.017   8.291  1.00 18.09           O  
-ATOM  22377  CB  ASP N 108      68.046  42.924   8.509  1.00 18.46           C  
-ATOM  22378  CG  ASP N 108      69.563  43.033   8.647  1.00 21.42           C  
-ATOM  22379  OD1 ASP N 108      70.176  42.363   9.524  1.00 23.62           O  
-ATOM  22380  OD2 ASP N 108      70.246  43.783   7.922  1.00 24.66           O  
-ATOM  22381  N   GLY N 109      68.435  39.987  10.467  1.00 17.72           N  
-ATOM  22382  CA  GLY N 109      68.859  38.615  10.435  1.00 17.70           C  
-ATOM  22383  C   GLY N 109      70.355  38.410  10.243  1.00 18.00           C  
-ATOM  22384  O   GLY N 109      70.820  37.257  10.206  1.00 18.34           O  
-ATOM  22385  N   GLU N 110      71.116  39.492  10.171  1.00 17.94           N  
-ATOM  22386  CA  GLU N 110      72.571  39.412  10.123  1.00 18.66           C  
-ATOM  22387  C   GLU N 110      73.109  38.966  11.471  1.00 17.89           C  
-ATOM  22388  O   GLU N 110      72.725  39.480  12.520  1.00 17.60           O  
-ATOM  22389  CB  GLU N 110      73.224  40.751   9.752  1.00 19.01           C  
-ATOM  22390  CG  GLU N 110      72.984  41.242   8.323  1.00 24.35           C  
-ATOM  22391  CD  GLU N 110      73.429  40.252   7.249  1.00 31.29           C  
-ATOM  22392  OE1 GLU N 110      74.619  39.797   7.238  1.00 33.41           O  
-ATOM  22393  OE2 GLU N 110      72.560  39.918   6.409  1.00 34.47           O  
-ATOM  22394  N   VAL N 111      74.022  38.004  11.435  1.00 17.06           N  
-ATOM  22395  CA  VAL N 111      74.656  37.517  12.657  1.00 16.14           C  
-ATOM  22396  C   VAL N 111      76.162  37.770  12.628  1.00 16.15           C  
-ATOM  22397  O   VAL N 111      76.794  37.608  11.628  1.00 15.56           O  
-ATOM  22398  CB  VAL N 111      74.408  35.991  12.848  1.00 16.22           C  
-ATOM  22399  CG1 VAL N 111      74.856  35.572  14.210  1.00 15.91           C  
-ATOM  22400  CG2 VAL N 111      72.936  35.617  12.600  1.00 14.57           C  
-ATOM  22401  N   LEU N 112      76.731  38.128  13.760  1.00 16.41           N  
-ATOM  22402  CA  LEU N 112      78.155  38.180  13.957  1.00 16.50           C  
-ATOM  22403  C   LEU N 112      78.477  37.308  15.161  1.00 16.84           C  
-ATOM  22404  O   LEU N 112      77.939  37.474  16.275  1.00 15.18           O  
-ATOM  22405  CB  LEU N 112      78.609  39.602  14.252  1.00 17.10           C  
-ATOM  22406  CG  LEU N 112      80.047  39.842  14.728  1.00 18.96           C  
-ATOM  22407  CD1 LEU N 112      81.047  39.301  13.712  1.00 16.41           C  
-ATOM  22408  CD2 LEU N 112      80.323  41.370  15.041  1.00 19.58           C  
-ATOM  22409  N   TYR N 113      79.344  36.343  14.927  1.00 16.81           N  
-ATOM  22410  CA  TYR N 113      79.842  35.537  16.016  1.00 17.75           C  
-ATOM  22411  C   TYR N 113      81.366  35.630  15.946  1.00 17.74           C  
-ATOM  22412  O   TYR N 113      81.939  35.309  14.920  1.00 17.99           O  
-ATOM  22413  CB  TYR N 113      79.346  34.088  15.904  1.00 17.96           C  
-ATOM  22414  CG  TYR N 113      79.860  33.208  17.029  1.00 19.12           C  
-ATOM  22415  CD1 TYR N 113      79.862  33.666  18.363  1.00 20.24           C  
-ATOM  22416  CD2 TYR N 113      80.408  31.953  16.763  1.00 20.40           C  
-ATOM  22417  CE1 TYR N 113      80.379  32.866  19.412  1.00 22.15           C  
-ATOM  22418  CE2 TYR N 113      80.895  31.120  17.797  1.00 20.03           C  
-ATOM  22419  CZ  TYR N 113      80.883  31.577  19.093  1.00 22.73           C  
-ATOM  22420  OH  TYR N 113      81.400  30.779  20.085  1.00 27.03           O  
-ATOM  22421  N   MET N 114      82.012  36.066  17.026  1.00 17.27           N  
-ATOM  22422  CA  MET N 114      83.431  36.383  17.001  1.00 17.39           C  
-ATOM  22423  C   MET N 114      84.102  35.906  18.288  1.00 17.40           C  
-ATOM  22424  O   MET N 114      84.540  36.722  19.132  1.00 16.60           O  
-ATOM  22425  CB  MET N 114      83.647  37.921  16.805  1.00 18.31           C  
-ATOM  22426  CG  MET N 114      85.084  38.276  16.494  1.00 20.83           C  
-ATOM  22427  SD  MET N 114      85.345  39.908  15.783  1.00 26.92           S  
-ATOM  22428  CE  MET N 114      83.793  40.534  15.735  1.00 26.63           C  
-ATOM  22429  N   PRO N 115      84.224  34.589  18.439  1.00 16.36           N  
-ATOM  22430  CA  PRO N 115      84.884  34.012  19.617  1.00 16.69           C  
-ATOM  22431  C   PRO N 115      86.422  34.200  19.571  1.00 16.88           C  
-ATOM  22432  O   PRO N 115      87.003  34.216  18.485  1.00 16.33           O  
-ATOM  22433  CB  PRO N 115      84.539  32.519  19.517  1.00 17.02           C  
-ATOM  22434  CG  PRO N 115      84.397  32.231  18.012  1.00 16.52           C  
-ATOM  22435  CD  PRO N 115      83.805  33.555  17.479  1.00 17.08           C  
-ATOM  22436  N   SER N 116      87.047  34.395  20.726  1.00 16.61           N  
-ATOM  22437  CA  SER N 116      88.505  34.346  20.804  1.00 17.14           C  
-ATOM  22438  C   SER N 116      88.867  32.841  20.945  1.00 17.00           C  
-ATOM  22439  O   SER N 116      88.334  32.161  21.795  1.00 16.38           O  
-ATOM  22440  CB  SER N 116      89.025  35.095  22.001  1.00 16.74           C  
-ATOM  22441  OG  SER N 116      90.441  35.060  21.987  1.00 19.00           O  
-ATOM  22442  N   ILE N 117      89.759  32.362  20.100  1.00 17.26           N  
-ATOM  22443  CA  ILE N 117      90.064  30.934  20.063  1.00 17.84           C  
-ATOM  22444  C   ILE N 117      91.540  30.712  20.268  1.00 17.71           C  
-ATOM  22445  O   ILE N 117      92.371  31.397  19.656  1.00 17.75           O  
-ATOM  22446  CB  ILE N 117      89.571  30.327  18.735  1.00 18.29           C  
-ATOM  22447  CG1 ILE N 117      88.035  30.287  18.742  1.00 19.96           C  
-ATOM  22448  CG2 ILE N 117      90.198  28.940  18.508  1.00 18.17           C  
-ATOM  22449  CD1 ILE N 117      87.405  29.602  17.562  1.00 21.17           C  
-ATOM  22450  N   ARG N 118      91.874  29.774  21.154  1.00 17.49           N  
-ATOM  22451  CA  ARG N 118      93.234  29.293  21.233  1.00 17.88           C  
-ATOM  22452  C   ARG N 118      93.327  27.890  20.635  1.00 17.48           C  
-ATOM  22453  O   ARG N 118      92.598  26.987  21.043  1.00 17.40           O  
-ATOM  22454  CB  ARG N 118      93.771  29.306  22.655  1.00 18.26           C  
-ATOM  22455  CG  ARG N 118      95.239  28.932  22.698  1.00 19.58           C  
-ATOM  22456  CD  ARG N 118      95.802  28.757  24.072  1.00 23.12           C  
-ATOM  22457  NE  ARG N 118      97.215  28.390  24.012  1.00 26.36           N  
-ATOM  22458  CZ  ARG N 118      98.086  28.648  24.981  1.00 27.94           C  
-ATOM  22459  NH1 ARG N 118      97.686  29.284  26.084  1.00 27.87           N  
-ATOM  22460  NH2 ARG N 118      99.356  28.279  24.862  1.00 27.30           N  
-ATOM  22461  N   GLN N 119      94.200  27.716  19.650  1.00 17.07           N  
-ATOM  22462  CA  GLN N 119      94.275  26.440  18.933  1.00 17.09           C  
-ATOM  22463  C   GLN N 119      95.700  26.219  18.416  1.00 16.80           C  
-ATOM  22464  O   GLN N 119      96.392  27.186  18.113  1.00 16.63           O  
-ATOM  22465  CB  GLN N 119      93.261  26.430  17.772  1.00 17.16           C  
-ATOM  22466  CG  GLN N 119      92.960  25.043  17.182  1.00 17.61           C  
-ATOM  22467  CD  GLN N 119      91.693  25.039  16.345  1.00 18.22           C  
-ATOM  22468  OE1 GLN N 119      91.288  26.084  15.800  1.00 20.88           O  
-ATOM  22469  NE2 GLN N 119      91.059  23.921  16.264  1.00 18.17           N  
-ATOM  22470  N   ARG N 120      96.094  24.945  18.274  1.00 16.44           N  
-ATOM  22471  CA  ARG N 120      97.397  24.543  17.750  1.00 15.72           C  
-ATOM  22472  C   ARG N 120      97.251  24.027  16.335  1.00 14.58           C  
-ATOM  22473  O   ARG N 120      96.283  23.334  16.015  1.00 14.51           O  
-ATOM  22474  CB  ARG N 120      98.071  23.493  18.664  1.00 16.68           C  
-ATOM  22475  CG  ARG N 120      98.517  24.045  20.032  1.00 21.09           C  
-ATOM  22476  CD  ARG N 120      99.082  23.001  21.046  1.00 27.86           C  
-ATOM  22477  NE  ARG N 120      98.060  22.153  21.665  1.00 30.71           N  
-ATOM  22478  CZ  ARG N 120      98.311  20.990  22.293  1.00 36.12           C  
-ATOM  22479  NH1 ARG N 120      99.571  20.536  22.448  1.00 33.70           N  
-ATOM  22480  NH2 ARG N 120      97.292  20.275  22.787  1.00 35.94           N  
-ATOM  22481  N   PHE N 121      98.223  24.325  15.484  1.00 14.01           N  
-ATOM  22482  CA  PHE N 121      98.111  23.999  14.069  1.00 14.53           C  
-ATOM  22483  C   PHE N 121      99.412  23.367  13.593  1.00 14.75           C  
-ATOM  22484  O   PHE N 121     100.469  23.629  14.146  1.00 13.64           O  
-ATOM  22485  CB  PHE N 121      97.827  25.245  13.220  1.00 13.52           C  
-ATOM  22486  CG  PHE N 121      96.561  25.909  13.557  1.00 15.86           C  
-ATOM  22487  CD1 PHE N 121      96.517  26.876  14.547  1.00 17.75           C  
-ATOM  22488  CD2 PHE N 121      95.391  25.551  12.914  1.00 18.71           C  
-ATOM  22489  CE1 PHE N 121      95.326  27.495  14.877  1.00 20.07           C  
-ATOM  22490  CE2 PHE N 121      94.194  26.139  13.252  1.00 18.63           C  
-ATOM  22491  CZ  PHE N 121      94.163  27.130  14.238  1.00 20.75           C  
-ATOM  22492  N   SER N 122      99.282  22.561  12.549  1.00 15.76           N  
-ATOM  22493  CA  SER N 122     100.381  21.984  11.809  1.00 16.64           C  
-ATOM  22494  C   SER N 122     100.549  22.842  10.556  1.00 17.21           C  
-ATOM  22495  O   SER N 122      99.613  22.977   9.753  1.00 16.52           O  
-ATOM  22496  CB  SER N 122     100.034  20.537  11.391  1.00 16.18           C  
-ATOM  22497  OG  SER N 122     100.897  20.092  10.361  1.00 15.93           O  
-ATOM  22498  N   CYS N 123     101.722  23.432  10.398  1.00 17.98           N  
-ATOM  22499  CA  CYS N 123     101.985  24.303   9.256  1.00 20.02           C  
-ATOM  22500  C   CYS N 123     103.455  24.636   9.140  1.00 19.60           C  
-ATOM  22501  O   CYS N 123     104.249  24.305  10.006  1.00 19.67           O  
-ATOM  22502  CB  CYS N 123     101.165  25.594   9.324  1.00 20.68           C  
-ATOM  22503  SG  CYS N 123     101.458  26.568  10.799  1.00 26.10           S  
-ATOM  22504  N   ASP N 124     103.805  25.297   8.052  1.00 19.81           N  
-ATOM  22505  CA  ASP N 124     105.205  25.616   7.754  1.00 19.82           C  
-ATOM  22506  C   ASP N 124     105.794  26.665   8.701  1.00 19.61           C  
-ATOM  22507  O   ASP N 124     105.479  27.843   8.602  1.00 19.71           O  
-ATOM  22508  CB  ASP N 124     105.307  26.102   6.320  1.00 19.69           C  
-ATOM  22509  CG  ASP N 124     106.690  25.971   5.751  1.00 20.37           C  
-ATOM  22510  OD1 ASP N 124     107.646  25.612   6.482  1.00 19.98           O  
-ATOM  22511  OD2 ASP N 124     106.900  26.224   4.550  1.00 21.24           O  
-ATOM  22512  N   VAL N 125     106.652  26.225   9.618  1.00 19.45           N  
-ATOM  22513  CA  VAL N 125     107.278  27.125  10.589  1.00 19.01           C  
-ATOM  22514  C   VAL N 125     108.708  27.498  10.125  1.00 18.82           C  
-ATOM  22515  O   VAL N 125     109.393  28.314  10.757  1.00 18.53           O  
-ATOM  22516  CB  VAL N 125     107.226  26.525  12.035  1.00 19.20           C  
-ATOM  22517  CG1 VAL N 125     107.958  27.371  13.039  1.00 19.13           C  
-ATOM  22518  CG2 VAL N 125     105.787  26.359  12.497  1.00 18.42           C  
-ATOM  22519  N   SER N 126     109.145  26.936   8.999  1.00 18.39           N  
-ATOM  22520  CA  SER N 126     110.487  27.217   8.514  1.00 18.59           C  
-ATOM  22521  C   SER N 126     110.696  28.703   8.173  1.00 18.27           C  
-ATOM  22522  O   SER N 126     109.829  29.350   7.583  1.00 17.91           O  
-ATOM  22523  CB  SER N 126     110.855  26.340   7.303  1.00 18.60           C  
-ATOM  22524  OG  SER N 126     110.079  26.698   6.179  1.00 18.80           O  
-ATOM  22525  N   GLY N 127     111.863  29.221   8.543  1.00 18.01           N  
-ATOM  22526  CA  GLY N 127     112.161  30.628   8.345  1.00 17.79           C  
-ATOM  22527  C   GLY N 127     111.633  31.588   9.408  1.00 17.49           C  
-ATOM  22528  O   GLY N 127     111.774  32.797   9.252  1.00 17.42           O  
-ATOM  22529  N   VAL N 128     111.054  31.074  10.489  1.00 17.19           N  
-ATOM  22530  CA  VAL N 128     110.488  31.935  11.527  1.00 17.28           C  
-ATOM  22531  C   VAL N 128     111.557  32.905  12.081  1.00 17.65           C  
-ATOM  22532  O   VAL N 128     111.248  33.999  12.577  1.00 17.38           O  
-ATOM  22533  CB  VAL N 128     109.790  31.134  12.643  1.00 17.15           C  
-ATOM  22534  CG1 VAL N 128     110.785  30.353  13.466  1.00 16.93           C  
-ATOM  22535  CG2 VAL N 128     108.991  32.076  13.536  1.00 17.28           C  
-ATOM  22536  N   ASP N 129     112.810  32.510  11.890  1.00 18.19           N  
-ATOM  22537  CA  ASP N 129     113.972  33.194  12.416  1.00 19.37           C  
-ATOM  22538  C   ASP N 129     114.610  34.198  11.442  1.00 19.13           C  
-ATOM  22539  O   ASP N 129     115.693  34.707  11.706  1.00 19.01           O  
-ATOM  22540  CB  ASP N 129     115.024  32.144  12.808  1.00 19.87           C  
-ATOM  22541  CG  ASP N 129     115.352  32.172  14.284  1.00 21.92           C  
-ATOM  22542  OD1 ASP N 129     114.429  32.038  15.125  1.00 24.58           O  
-ATOM  22543  OD2 ASP N 129     116.516  32.336  14.688  1.00 25.08           O  
-ATOM  22544  N   THR N 130     113.956  34.477  10.321  1.00 18.58           N  
-ATOM  22545  CA  THR N 130     114.551  35.372   9.342  1.00 18.40           C  
-ATOM  22546  C   THR N 130     113.787  36.695   9.200  1.00 18.33           C  
-ATOM  22547  O   THR N 130     112.734  36.911   9.812  1.00 17.73           O  
-ATOM  22548  CB  THR N 130     114.649  34.686   7.973  1.00 18.22           C  
-ATOM  22549  OG1 THR N 130     113.349  34.257   7.572  1.00 18.50           O  
-ATOM  22550  CG2 THR N 130     115.469  33.374   8.049  1.00 18.69           C  
-ATOM  22551  N   GLU N 131     114.348  37.568   8.378  1.00 18.07           N  
-ATOM  22552  CA  GLU N 131     113.719  38.810   7.946  1.00 18.46           C  
-ATOM  22553  C   GLU N 131     112.498  38.485   7.102  1.00 17.89           C  
-ATOM  22554  O   GLU N 131     111.499  39.208   7.096  1.00 16.83           O  
-ATOM  22555  CB  GLU N 131     114.725  39.608   7.102  1.00 18.02           C  
-ATOM  22556  CG  GLU N 131     114.653  41.109   7.273  1.00 20.33           C  
-ATOM  22557  CD  GLU N 131     115.028  41.579   8.674  1.00 21.66           C  
-ATOM  22558  OE1 GLU N 131     116.246  41.625   8.993  1.00 19.88           O  
-ATOM  22559  OE2 GLU N 131     114.095  41.923   9.443  1.00 20.15           O  
-ATOM  22560  N   SER N 132     112.591  37.379   6.377  1.00 18.37           N  
-ATOM  22561  CA  SER N 132     111.476  36.978   5.534  1.00 19.04           C  
-ATOM  22562  C   SER N 132     110.362  36.319   6.352  1.00 18.66           C  
-ATOM  22563  O   SER N 132     109.188  36.392   5.978  1.00 18.96           O  
-ATOM  22564  CB  SER N 132     111.986  36.086   4.375  1.00 19.75           C  
-ATOM  22565  OG  SER N 132     111.426  34.771   4.402  1.00 21.12           O  
-ATOM  22566  N   GLY N 133     110.728  35.701   7.474  1.00 18.50           N  
-ATOM  22567  CA  GLY N 133     109.767  35.057   8.364  1.00 18.08           C  
-ATOM  22568  C   GLY N 133     109.188  33.744   7.844  1.00 18.31           C  
-ATOM  22569  O   GLY N 133     109.514  33.299   6.733  1.00 17.58           O  
-ATOM  22570  N   ALA N 134     108.331  33.124   8.656  1.00 18.22           N  
-ATOM  22571  CA  ALA N 134     107.625  31.917   8.263  1.00 18.79           C  
-ATOM  22572  C   ALA N 134     106.274  32.294   7.686  1.00 19.22           C  
-ATOM  22573  O   ALA N 134     105.788  33.386   7.946  1.00 19.27           O  
-ATOM  22574  CB  ALA N 134     107.435  31.012   9.470  1.00 19.05           C  
-ATOM  22575  N   THR N 135     105.688  31.412   6.878  1.00 19.78           N  
-ATOM  22576  CA  THR N 135     104.293  31.542   6.448  1.00 20.66           C  
-ATOM  22577  C   THR N 135     103.495  30.291   6.813  1.00 21.46           C  
-ATOM  22578  O   THR N 135     103.681  29.212   6.204  1.00 21.67           O  
-ATOM  22579  CB  THR N 135     104.149  31.848   4.921  1.00 20.21           C  
-ATOM  22580  OG1 THR N 135     105.031  32.904   4.545  1.00 20.95           O  
-ATOM  22581  CG2 THR N 135     102.791  32.470   4.605  1.00 19.40           C  
-ATOM  22582  N   CYS N 136     102.625  30.445   7.805  1.00 21.73           N  
-ATOM  22583  CA  CYS N 136     101.754  29.382   8.284  1.00 22.95           C  
-ATOM  22584  C   CYS N 136     100.373  29.572   7.652  1.00 22.64           C  
-ATOM  22585  O   CYS N 136      99.726  30.627   7.823  1.00 22.39           O  
-ATOM  22586  CB  CYS N 136     101.645  29.449   9.824  1.00 23.11           C  
-ATOM  22587  SG  CYS N 136     100.413  28.349  10.581  1.00 29.05           S  
-ATOM  22588  N   ARG N 137      99.914  28.547   6.931  1.00 22.18           N  
-ATOM  22589  CA  ARG N 137      98.617  28.607   6.270  1.00 21.58           C  
-ATOM  22590  C   ARG N 137      97.568  27.873   7.110  1.00 20.77           C  
-ATOM  22591  O   ARG N 137      97.774  26.727   7.480  1.00 20.36           O  
-ATOM  22592  CB  ARG N 137      98.695  28.060   4.828  1.00 21.83           C  
-ATOM  22593  CG  ARG N 137      99.383  29.022   3.865  1.00 25.51           C  
-ATOM  22594  CD  ARG N 137      99.463  28.590   2.392  1.00 28.73           C  
-ATOM  22595  NE  ARG N 137     100.862  28.485   1.941  1.00 32.26           N  
-ATOM  22596  CZ  ARG N 137     101.626  29.502   1.505  1.00 34.26           C  
-ATOM  22597  NH1 ARG N 137     101.146  30.751   1.443  1.00 33.30           N  
-ATOM  22598  NH2 ARG N 137     102.880  29.263   1.119  1.00 32.28           N  
-ATOM  22599  N   ILE N 138      96.473  28.568   7.458  1.00 19.54           N  
-ATOM  22600  CA  ILE N 138      95.346  27.936   8.149  1.00 18.83           C  
-ATOM  22601  C   ILE N 138      94.149  27.818   7.221  1.00 18.45           C  
-ATOM  22602  O   ILE N 138      93.677  28.828   6.656  1.00 18.25           O  
-ATOM  22603  CB  ILE N 138      94.942  28.711   9.406  1.00 18.95           C  
-ATOM  22604  CG1 ILE N 138      96.026  28.604  10.476  1.00 18.24           C  
-ATOM  22605  CG2 ILE N 138      93.544  28.233   9.922  1.00 19.81           C  
-ATOM  22606  CD1 ILE N 138      95.931  29.696  11.515  1.00 19.11           C  
-ATOM  22607  N   LYS N 139      93.664  26.588   7.072  1.00 17.64           N  
-ATOM  22608  CA  LYS N 139      92.557  26.275   6.174  1.00 17.42           C  
-ATOM  22609  C   LYS N 139      91.250  26.075   6.943  1.00 17.28           C  
-ATOM  22610  O   LYS N 139      91.142  25.173   7.794  1.00 16.98           O  
-ATOM  22611  CB  LYS N 139      92.887  25.020   5.357  1.00 17.04           C  
-ATOM  22612  CG  LYS N 139      91.695  24.421   4.628  1.00 18.68           C  
-ATOM  22613  CD  LYS N 139      92.126  23.395   3.576  1.00 19.45           C  
-ATOM  22614  CE  LYS N 139      90.924  22.600   3.057  1.00 22.53           C  
-ATOM  22615  NZ  LYS N 139      91.342  21.209   2.551  1.00 22.32           N  
-ATOM  22616  N   ILE N 140      90.259  26.914   6.636  1.00 16.71           N  
-ATOM  22617  CA  ILE N 140      88.990  26.876   7.353  1.00 16.85           C  
-ATOM  22618  C   ILE N 140      87.815  26.705   6.395  1.00 16.31           C  
-ATOM  22619  O   ILE N 140      87.703  27.446   5.407  1.00 16.30           O  
-ATOM  22620  CB  ILE N 140      88.805  28.196   8.186  1.00 16.78           C  
-ATOM  22621  CG1 ILE N 140      90.013  28.419   9.079  1.00 17.86           C  
-ATOM  22622  CG2 ILE N 140      87.560  28.116   9.078  1.00 17.49           C  
-ATOM  22623  CD1 ILE N 140      89.725  29.225  10.331  1.00 22.78           C  
-ATOM  22624  N   GLY N 141      86.921  25.769   6.696  1.00 15.36           N  
-ATOM  22625  CA  GLY N 141      85.750  25.582   5.844  1.00 14.94           C  
-ATOM  22626  C   GLY N 141      84.639  24.864   6.572  1.00 14.65           C  
-ATOM  22627  O   GLY N 141      84.857  24.367   7.673  1.00 14.79           O  
-ATOM  22628  N   SER N 142      83.445  24.807   5.977  1.00 13.69           N  
-ATOM  22629  CA  SER N 142      82.413  23.997   6.592  1.00 13.74           C  
-ATOM  22630  C   SER N 142      82.865  22.517   6.571  1.00 13.20           C  
-ATOM  22631  O   SER N 142      83.314  22.043   5.560  1.00 12.90           O  
-ATOM  22632  CB  SER N 142      81.093  24.096   5.854  1.00 13.99           C  
-ATOM  22633  OG  SER N 142      80.268  23.013   6.275  1.00 12.30           O  
-ATOM  22634  N   TRP N 143      82.751  21.835   7.701  1.00 12.42           N  
-ATOM  22635  CA  TRP N 143      83.036  20.395   7.750  1.00 11.93           C  
-ATOM  22636  C   TRP N 143      82.091  19.528   6.923  1.00 11.86           C  
-ATOM  22637  O   TRP N 143      82.541  18.548   6.310  1.00 12.47           O  
-ATOM  22638  CB  TRP N 143      83.083  19.915   9.206  1.00 11.14           C  
-ATOM  22639  CG  TRP N 143      83.769  18.571   9.387  1.00 10.50           C  
-ATOM  22640  CD1 TRP N 143      83.181  17.384   9.732  1.00  9.77           C  
-ATOM  22641  CD2 TRP N 143      85.157  18.270   9.152  1.00  7.50           C  
-ATOM  22642  NE1 TRP N 143      84.131  16.396   9.808  1.00  6.20           N  
-ATOM  22643  CE2 TRP N 143      85.345  16.898   9.435  1.00  4.72           C  
-ATOM  22644  CE3 TRP N 143      86.264  19.030   8.773  1.00  7.75           C  
-ATOM  22645  CZ2 TRP N 143      86.588  16.259   9.306  1.00  6.76           C  
-ATOM  22646  CZ3 TRP N 143      87.502  18.419   8.666  1.00  6.39           C  
-ATOM  22647  CH2 TRP N 143      87.648  17.018   8.904  1.00  8.42           C  
-ATOM  22648  N   THR N 144      80.782  19.823   6.938  1.00 11.38           N  
-ATOM  22649  CA  THR N 144      79.790  18.900   6.347  1.00 11.16           C  
-ATOM  22650  C   THR N 144      78.836  19.523   5.327  1.00 11.29           C  
-ATOM  22651  O   THR N 144      77.950  18.838   4.829  1.00 10.62           O  
-ATOM  22652  CB  THR N 144      78.963  18.201   7.451  1.00 11.09           C  
-ATOM  22653  OG1 THR N 144      77.933  19.093   7.877  1.00 12.58           O  
-ATOM  22654  CG2 THR N 144      79.806  17.990   8.720  1.00  7.58           C  
-ATOM  22655  N   HIS N 145      78.987  20.832   5.038  1.00 11.14           N  
-ATOM  22656  CA  HIS N 145      78.149  21.466   4.017  1.00 10.73           C  
-ATOM  22657  C   HIS N 145      78.956  21.803   2.761  1.00 11.28           C  
-ATOM  22658  O   HIS N 145      79.966  22.517   2.829  1.00 11.40           O  
-ATOM  22659  CB  HIS N 145      77.449  22.687   4.603  1.00 11.95           C  
-ATOM  22660  CG  HIS N 145      76.373  22.346   5.579  1.00  8.47           C  
-ATOM  22661  ND1 HIS N 145      76.520  22.524   6.936  1.00  9.77           N  
-ATOM  22662  CD2 HIS N 145      75.122  21.870   5.395  1.00  8.59           C  
-ATOM  22663  CE1 HIS N 145      75.419  22.126   7.554  1.00  8.31           C  
-ATOM  22664  NE2 HIS N 145      74.548  21.741   6.637  1.00  9.98           N  
-ATOM  22665  N   HIS N 146      78.540  21.255   1.618  1.00 10.99           N  
-ATOM  22666  CA  HIS N 146      79.228  21.504   0.354  1.00 11.52           C  
-ATOM  22667  C   HIS N 146      78.873  22.890  -0.224  1.00 11.64           C  
-ATOM  22668  O   HIS N 146      78.091  23.622   0.367  1.00 11.56           O  
-ATOM  22669  CB  HIS N 146      78.930  20.388  -0.668  1.00 11.40           C  
-ATOM  22670  CG  HIS N 146      77.479  20.246  -0.985  1.00 13.97           C  
-ATOM  22671  ND1 HIS N 146      76.692  21.310  -1.363  1.00 14.68           N  
-ATOM  22672  CD2 HIS N 146      76.652  19.175  -0.921  1.00 14.82           C  
-ATOM  22673  CE1 HIS N 146      75.449  20.902  -1.537  1.00 15.01           C  
-ATOM  22674  NE2 HIS N 146      75.398  19.606  -1.283  1.00 14.62           N  
-ATOM  22675  N   SER N 147      79.407  23.211  -1.401  1.00 11.81           N  
-ATOM  22676  CA  SER N 147      79.354  24.586  -1.912  1.00 12.23           C  
-ATOM  22677  C   SER N 147      77.949  25.092  -2.273  1.00 12.36           C  
-ATOM  22678  O   SER N 147      77.710  26.295  -2.329  1.00 12.80           O  
-ATOM  22679  CB  SER N 147      80.357  24.804  -3.055  1.00 11.87           C  
-ATOM  22680  OG  SER N 147      79.869  24.221  -4.251  1.00 13.80           O  
-ATOM  22681  N   ARG N 148      76.998  24.190  -2.475  1.00 12.83           N  
-ATOM  22682  CA  ARG N 148      75.629  24.631  -2.739  1.00 12.92           C  
-ATOM  22683  C   ARG N 148      74.885  24.967  -1.449  1.00 12.66           C  
-ATOM  22684  O   ARG N 148      73.805  25.551  -1.476  1.00 12.83           O  
-ATOM  22685  CB  ARG N 148      74.868  23.630  -3.619  1.00 13.41           C  
-ATOM  22686  CG  ARG N 148      75.230  23.725  -5.085  1.00 16.19           C  
-ATOM  22687  CD  ARG N 148      74.486  22.716  -5.991  1.00 21.72           C  
-ATOM  22688  NE  ARG N 148      74.810  21.307  -5.691  1.00 23.28           N  
-ATOM  22689  CZ  ARG N 148      74.014  20.465  -5.009  1.00 25.40           C  
-ATOM  22690  NH1 ARG N 148      72.836  20.867  -4.537  1.00 23.92           N  
-ATOM  22691  NH2 ARG N 148      74.392  19.208  -4.805  1.00 26.55           N  
-ATOM  22692  N   GLU N 149      75.494  24.666  -0.312  1.00 12.55           N  
-ATOM  22693  CA  GLU N 149      74.850  24.921   0.970  1.00 12.36           C  
-ATOM  22694  C   GLU N 149      75.570  26.010   1.747  1.00 12.50           C  
-ATOM  22695  O   GLU N 149      74.926  26.865   2.360  1.00 12.07           O  
-ATOM  22696  CB  GLU N 149      74.746  23.631   1.801  1.00 12.29           C  
-ATOM  22697  CG  GLU N 149      73.813  22.582   1.210  1.00 13.33           C  
-ATOM  22698  CD  GLU N 149      73.746  21.272   2.010  1.00 16.80           C  
-ATOM  22699  OE1 GLU N 149      74.617  20.974   2.864  1.00 19.17           O  
-ATOM  22700  OE2 GLU N 149      72.783  20.543   1.808  1.00 15.51           O  
-ATOM  22701  N   ILE N 150      76.898  25.982   1.758  1.00 12.77           N  
-ATOM  22702  CA  ILE N 150      77.660  27.018   2.470  1.00 13.40           C  
-ATOM  22703  C   ILE N 150      78.805  27.461   1.566  1.00 14.64           C  
-ATOM  22704  O   ILE N 150      79.518  26.606   1.059  1.00 14.76           O  
-ATOM  22705  CB  ILE N 150      78.198  26.501   3.843  1.00 12.88           C  
-ATOM  22706  CG1 ILE N 150      77.072  26.361   4.893  1.00 12.18           C  
-ATOM  22707  CG2 ILE N 150      79.429  27.319   4.336  1.00 13.00           C  
-ATOM  22708  CD1 ILE N 150      77.539  26.039   6.384  1.00  4.20           C  
-ATOM  22709  N   SER N 151      78.886  28.771   1.283  1.00 15.82           N  
-ATOM  22710  CA  SER N 151      80.079  29.364   0.678  1.00 17.94           C  
-ATOM  22711  C   SER N 151      80.835  30.110   1.749  1.00 19.09           C  
-ATOM  22712  O   SER N 151      80.249  30.643   2.673  1.00 19.08           O  
-ATOM  22713  CB  SER N 151      79.823  30.266  -0.561  1.00 17.86           C  
-ATOM  22714  OG  SER N 151      78.736  31.159  -0.441  1.00 19.46           O  
-ATOM  22715  N   VAL N 152      82.148  30.098   1.650  1.00 20.77           N  
-ATOM  22716  CA  VAL N 152      82.971  30.832   2.594  1.00 22.78           C  
-ATOM  22717  C   VAL N 152      83.779  31.879   1.832  1.00 24.47           C  
-ATOM  22718  O   VAL N 152      84.449  31.584   0.847  1.00 24.42           O  
-ATOM  22719  CB  VAL N 152      83.831  29.897   3.512  1.00 23.01           C  
-ATOM  22720  CG1 VAL N 152      82.951  29.128   4.466  1.00 20.92           C  
-ATOM  22721  CG2 VAL N 152      84.623  28.907   2.692  1.00 22.97           C  
-ATOM  22722  N   ASP N 153      83.615  33.129   2.256  1.00 26.00           N  
-ATOM  22723  CA  ASP N 153      84.349  34.247   1.694  1.00 28.01           C  
-ATOM  22724  C   ASP N 153      85.162  34.869   2.834  1.00 28.57           C  
-ATOM  22725  O   ASP N 153      84.758  34.786   3.981  1.00 28.01           O  
-ATOM  22726  CB  ASP N 153      83.391  35.271   1.053  1.00 28.26           C  
-ATOM  22727  CG  ASP N 153      82.907  34.838  -0.344  1.00 30.44           C  
-ATOM  22728  OD1 ASP N 153      81.961  34.021  -0.424  1.00 31.43           O  
-ATOM  22729  OD2 ASP N 153      83.417  35.248  -1.424  1.00 32.35           O  
-ATOM  22730  N   PRO N 154      86.328  35.436   2.535  1.00 29.80           N  
-ATOM  22731  CA  PRO N 154      87.007  36.311   3.506  1.00 31.19           C  
-ATOM  22732  C   PRO N 154      86.166  37.574   3.759  1.00 32.77           C  
-ATOM  22733  O   PRO N 154      85.614  38.111   2.798  1.00 32.87           O  
-ATOM  22734  CB  PRO N 154      88.328  36.665   2.813  1.00 30.22           C  
-ATOM  22735  CG  PRO N 154      88.106  36.392   1.392  1.00 30.50           C  
-ATOM  22736  CD  PRO N 154      87.089  35.287   1.279  1.00 29.60           C  
-ATOM  22737  N   THR N 155      86.042  37.992   5.021  1.00 34.97           N  
-ATOM  22738  CA  THR N 155      85.350  39.239   5.441  1.00 37.87           C  
-ATOM  22739  C   THR N 155      85.156  40.340   4.375  1.00 39.55           C  
-ATOM  22740  O   THR N 155      86.127  40.790   3.740  1.00 39.07           O  
-ATOM  22741  CB  THR N 155      86.072  39.816   6.676  1.00 37.58           C  
-ATOM  22742  OG1 THR N 155      85.813  38.963   7.785  1.00 39.76           O  
-ATOM  22743  CG2 THR N 155      85.482  41.155   7.129  1.00 38.44           C  
-ATOM  22744  N   THR N 156      83.894  40.773   4.236  1.00 42.45           N  
-ATOM  22745  CA  THR N 156      83.414  41.707   3.187  1.00 44.92           C  
-ATOM  22746  C   THR N 156      84.348  42.890   2.904  1.00 46.38           C  
-ATOM  22747  O   THR N 156      84.530  43.263   1.738  1.00 46.87           O  
-ATOM  22748  CB  THR N 156      81.904  42.148   3.451  1.00 45.26           C  
-ATOM  22749  OG1 THR N 156      81.413  42.974   2.384  1.00 45.11           O  
-ATOM  22750  CG2 THR N 156      81.742  43.019   4.732  1.00 45.87           C  
-ATOM  22751  N   GLU N 157      84.931  43.466   3.959  1.00 48.05           N  
-ATOM  22752  CA  GLU N 157      86.085  44.354   3.812  1.00 50.18           C  
-ATOM  22753  C   GLU N 157      87.302  43.721   4.506  1.00 51.09           C  
-ATOM  22754  O   GLU N 157      87.292  43.502   5.730  1.00 51.77           O  
-ATOM  22755  CB  GLU N 157      85.772  45.799   4.276  1.00 50.19           C  
-ATOM  22756  CG  GLU N 157      86.753  46.446   5.261  1.00 51.69           C  
-ATOM  22757  CD  GLU N 157      88.129  46.771   4.671  1.00 52.30           C  
-ATOM  22758  OE1 GLU N 157      88.224  47.629   3.766  1.00 51.58           O  
-ATOM  22759  OE2 GLU N 157      89.128  46.175   5.138  1.00 52.22           O  
-ATOM  22760  N   ASN N 158      88.330  43.419   3.706  1.00 52.02           N  
-ATOM  22761  CA  ASN N 158      89.513  42.666   4.154  1.00 52.88           C  
-ATOM  22762  C   ASN N 158      90.603  43.574   4.760  1.00 53.19           C  
-ATOM  22763  O   ASN N 158      91.145  44.451   4.059  1.00 53.25           O  
-ATOM  22764  CB  ASN N 158      90.076  41.829   2.989  1.00 53.01           C  
-ATOM  22765  CG  ASN N 158      90.048  40.318   3.261  1.00 53.73           C  
-ATOM  22766  OD1 ASN N 158      89.304  39.818   4.130  1.00 54.79           O  
-ATOM  22767  ND2 ASN N 158      90.860  39.580   2.502  1.00 53.47           N  
-ATOM  22768  N   SER N 159      90.939  43.341   6.038  1.00 53.12           N  
-ATOM  22769  CA  SER N 159      91.672  44.337   6.845  1.00 53.24           C  
-ATOM  22770  C   SER N 159      93.141  44.051   7.279  1.00 53.00           C  
-ATOM  22771  O   SER N 159      93.689  42.974   7.019  1.00 53.14           O  
-ATOM  22772  CB  SER N 159      90.814  44.773   8.040  1.00 53.31           C  
-ATOM  22773  OG  SER N 159      89.646  45.459   7.610  1.00 53.82           O  
-ATOM  22774  N   ASP N 160      93.724  45.023   7.992  1.00 52.46           N  
-ATOM  22775  CA  ASP N 160      95.180  45.253   8.097  1.00 51.82           C  
-ATOM  22776  C   ASP N 160      96.067  44.379   9.023  1.00 50.85           C  
-ATOM  22777  O   ASP N 160      96.620  44.878  10.017  1.00 50.53           O  
-ATOM  22778  CB  ASP N 160      95.421  46.747   8.420  1.00 52.69           C  
-ATOM  22779  CG  ASP N 160      94.536  47.260   9.567  1.00 53.31           C  
-ATOM  22780  OD1 ASP N 160      94.561  46.667  10.663  1.00 52.86           O  
-ATOM  22781  OD2 ASP N 160      93.786  48.258   9.463  1.00 54.79           O  
-ATOM  22782  N   ASP N 161      96.241  43.103   8.655  1.00 49.58           N  
-ATOM  22783  CA  ASP N 161      97.140  42.138   9.343  1.00 47.91           C  
-ATOM  22784  C   ASP N 161      97.357  42.308  10.885  1.00 46.58           C  
-ATOM  22785  O   ASP N 161      96.622  41.724  11.713  1.00 46.19           O  
-ATOM  22786  CB  ASP N 161      98.503  41.974   8.610  1.00 48.10           C  
-ATOM  22787  CG  ASP N 161      98.641  42.843   7.342  1.00 49.05           C  
-ATOM  22788  OD1 ASP N 161      98.059  42.479   6.296  1.00 49.76           O  
-ATOM  22789  OD2 ASP N 161      99.349  43.883   7.282  1.00 48.86           O  
-ATOM  22790  N   SER N 162      98.376  43.098  11.251  1.00 44.50           N  
-ATOM  22791  CA  SER N 162      98.694  43.383  12.656  1.00 42.00           C  
-ATOM  22792  C   SER N 162      97.850  44.548  13.164  1.00 40.01           C  
-ATOM  22793  O   SER N 162      98.095  45.723  12.751  1.00 40.02           O  
-ATOM  22794  CB  SER N 162     100.191  43.699  12.847  1.00 42.03           C  
-ATOM  22795  OG  SER N 162     100.820  44.042  11.621  1.00 43.00           O  
-ATOM  22796  N   GLU N 163      96.890  44.241  14.052  1.00 35.97           N  
-ATOM  22797  CA  GLU N 163      95.938  45.264  14.534  1.00 33.36           C  
-ATOM  22798  C   GLU N 163      95.538  45.205  16.015  1.00 31.56           C  
-ATOM  22799  O   GLU N 163      95.502  46.242  16.708  1.00 31.44           O  
-ATOM  22800  CB  GLU N 163      94.669  45.292  13.674  1.00 33.53           C  
-ATOM  22801  CG  GLU N 163      94.519  44.158  12.667  1.00 32.86           C  
-ATOM  22802  CD  GLU N 163      93.154  44.148  11.984  1.00 33.16           C  
-ATOM  22803  OE1 GLU N 163      92.184  44.741  12.531  1.00 31.28           O  
-ATOM  22804  OE2 GLU N 163      93.049  43.529  10.896  1.00 33.87           O  
-ATOM  22805  N   TYR N 164      95.171  44.007  16.474  1.00 28.68           N  
-ATOM  22806  CA  TYR N 164      95.019  43.763  17.896  1.00 26.36           C  
-ATOM  22807  C   TYR N 164      96.109  42.819  18.356  1.00 23.87           C  
-ATOM  22808  O   TYR N 164      96.069  42.330  19.477  1.00 23.20           O  
-ATOM  22809  CB  TYR N 164      93.631  43.205  18.231  1.00 26.59           C  
-ATOM  22810  CG  TYR N 164      92.532  43.807  17.393  1.00 28.57           C  
-ATOM  22811  CD1 TYR N 164      92.182  45.181  17.523  1.00 27.36           C  
-ATOM  22812  CD2 TYR N 164      91.858  43.024  16.446  1.00 27.21           C  
-ATOM  22813  CE1 TYR N 164      91.184  45.730  16.735  1.00 28.85           C  
-ATOM  22814  CE2 TYR N 164      90.853  43.561  15.660  1.00 31.12           C  
-ATOM  22815  CZ  TYR N 164      90.530  44.917  15.790  1.00 31.06           C  
-ATOM  22816  OH  TYR N 164      89.534  45.433  14.990  1.00 33.76           O  
-ATOM  22817  N   PHE N 165      97.079  42.564  17.485  1.00 21.85           N  
-ATOM  22818  CA  PHE N 165      98.157  41.664  17.840  1.00 20.04           C  
-ATOM  22819  C   PHE N 165      98.895  42.212  19.048  1.00 19.17           C  
-ATOM  22820  O   PHE N 165      99.225  43.405  19.108  1.00 18.06           O  
-ATOM  22821  CB  PHE N 165      99.105  41.398  16.679  1.00 19.35           C  
-ATOM  22822  CG  PHE N 165     100.024  40.233  16.922  1.00 18.85           C  
-ATOM  22823  CD1 PHE N 165      99.521  38.926  16.932  1.00 17.38           C  
-ATOM  22824  CD2 PHE N 165     101.387  40.442  17.171  1.00 17.18           C  
-ATOM  22825  CE1 PHE N 165     100.371  37.826  17.173  1.00 17.99           C  
-ATOM  22826  CE2 PHE N 165     102.233  39.380  17.411  1.00 17.31           C  
-ATOM  22827  CZ  PHE N 165     101.726  38.050  17.401  1.00 17.46           C  
-ATOM  22828  N   SER N 166      99.125  41.335  20.023  1.00 17.97           N  
-ATOM  22829  CA  SER N 166      99.827  41.734  21.249  1.00 17.50           C  
-ATOM  22830  C   SER N 166     101.234  42.288  21.010  1.00 17.03           C  
-ATOM  22831  O   SER N 166     102.026  41.664  20.325  1.00 15.74           O  
-ATOM  22832  CB  SER N 166      99.894  40.577  22.228  1.00 17.29           C  
-ATOM  22833  OG  SER N 166     100.677  40.916  23.351  1.00 17.22           O  
-ATOM  22834  N   GLN N 167     101.530  43.459  21.593  1.00 17.10           N  
-ATOM  22835  CA  GLN N 167     102.855  44.077  21.484  1.00 17.64           C  
-ATOM  22836  C   GLN N 167     103.860  43.365  22.393  1.00 17.56           C  
-ATOM  22837  O   GLN N 167     105.038  43.698  22.406  1.00 17.35           O  
-ATOM  22838  CB  GLN N 167     102.814  45.573  21.859  1.00 18.12           C  
-ATOM  22839  CG  GLN N 167     102.524  45.820  23.344  1.00 19.77           C  
-ATOM  22840  CD  GLN N 167     102.230  47.280  23.689  1.00 22.54           C  
-ATOM  22841  OE1 GLN N 167     103.151  48.088  23.754  1.00 22.66           O  
-ATOM  22842  NE2 GLN N 167     100.951  47.609  23.931  1.00 21.98           N  
-ATOM  22843  N   TYR N 168     103.384  42.407  23.173  1.00 17.50           N  
-ATOM  22844  CA  TYR N 168     104.224  41.718  24.148  1.00 17.24           C  
-ATOM  22845  C   TYR N 168     104.598  40.328  23.679  1.00 17.04           C  
-ATOM  22846  O   TYR N 168     105.415  39.652  24.297  1.00 17.27           O  
-ATOM  22847  CB  TYR N 168     103.537  41.668  25.513  1.00 17.51           C  
-ATOM  22848  CG  TYR N 168     103.236  43.056  26.040  1.00 17.32           C  
-ATOM  22849  CD1 TYR N 168     104.260  43.970  26.240  1.00 16.91           C  
-ATOM  22850  CD2 TYR N 168     101.919  43.462  26.286  1.00 17.12           C  
-ATOM  22851  CE1 TYR N 168     103.983  45.274  26.710  1.00 17.93           C  
-ATOM  22852  CE2 TYR N 168     101.635  44.743  26.757  1.00 16.78           C  
-ATOM  22853  CZ  TYR N 168     102.674  45.641  26.959  1.00 17.59           C  
-ATOM  22854  OH  TYR N 168     102.393  46.898  27.428  1.00 19.37           O  
-ATOM  22855  N   SER N 169     104.039  39.925  22.556  1.00 16.26           N  
-ATOM  22856  CA  SER N 169     104.430  38.686  21.912  1.00 16.05           C  
-ATOM  22857  C   SER N 169     105.919  38.679  21.555  1.00 16.21           C  
-ATOM  22858  O   SER N 169     106.540  39.703  21.333  1.00 15.54           O  
-ATOM  22859  CB  SER N 169     103.596  38.475  20.655  1.00 15.68           C  
-ATOM  22860  OG  SER N 169     103.815  37.194  20.080  1.00 16.06           O  
-ATOM  22861  N   ARG N 170     106.471  37.479  21.450  1.00 16.56           N  
-ATOM  22862  CA  ARG N 170     107.859  37.295  21.064  1.00 16.84           C  
-ATOM  22863  C   ARG N 170     107.992  37.408  19.555  1.00 15.91           C  
-ATOM  22864  O   ARG N 170     109.104  37.534  19.007  1.00 15.05           O  
-ATOM  22865  CB  ARG N 170     108.266  35.887  21.462  1.00 17.45           C  
-ATOM  22866  CG  ARG N 170     109.125  35.806  22.681  1.00 20.25           C  
-ATOM  22867  CD  ARG N 170     109.575  34.388  22.919  1.00 23.83           C  
-ATOM  22868  NE  ARG N 170     108.424  33.491  22.875  1.00 26.37           N  
-ATOM  22869  CZ  ARG N 170     108.497  32.164  22.761  1.00 27.53           C  
-ATOM  22870  NH1 ARG N 170     109.689  31.565  22.670  1.00 25.12           N  
-ATOM  22871  NH2 ARG N 170     107.368  31.446  22.745  1.00 25.10           N  
-ATOM  22872  N   PHE N 171     106.843  37.299  18.901  1.00 14.02           N  
-ATOM  22873  CA  PHE N 171     106.735  37.311  17.455  1.00 13.45           C  
-ATOM  22874  C   PHE N 171     106.046  38.575  16.941  1.00 14.35           C  
-ATOM  22875  O   PHE N 171     105.293  39.204  17.670  1.00 13.71           O  
-ATOM  22876  CB  PHE N 171     105.944  36.088  17.020  1.00 12.00           C  
-ATOM  22877  CG  PHE N 171     106.487  34.808  17.561  1.00 10.98           C  
-ATOM  22878  CD1 PHE N 171     107.545  34.169  16.923  1.00 10.32           C  
-ATOM  22879  CD2 PHE N 171     105.939  34.228  18.701  1.00  9.17           C  
-ATOM  22880  CE1 PHE N 171     108.061  32.964  17.418  1.00 11.43           C  
-ATOM  22881  CE2 PHE N 171     106.447  33.044  19.201  1.00 11.90           C  
-ATOM  22882  CZ  PHE N 171     107.504  32.403  18.558  1.00 12.12           C  
-ATOM  22883  N   GLU N 172     106.307  38.930  15.684  1.00 15.75           N  
-ATOM  22884  CA  GLU N 172     105.605  40.020  15.015  1.00 17.04           C  
-ATOM  22885  C   GLU N 172     104.983  39.493  13.726  1.00 17.44           C  
-ATOM  22886  O   GLU N 172     105.503  38.557  13.106  1.00 17.26           O  
-ATOM  22887  CB  GLU N 172     106.545  41.202  14.723  1.00 17.29           C  
-ATOM  22888  CG  GLU N 172     107.786  40.866  13.912  1.00 19.01           C  
-ATOM  22889  CD  GLU N 172     108.750  42.042  13.725  1.00 22.60           C  
-ATOM  22890  OE1 GLU N 172     108.346  43.205  13.932  1.00 24.91           O  
-ATOM  22891  OE2 GLU N 172     109.932  41.791  13.352  1.00 23.07           O  
-ATOM  22892  N   ILE N 173     103.886  40.117  13.312  1.00 17.65           N  
-ATOM  22893  CA  ILE N 173     103.219  39.749  12.070  1.00 18.16           C  
-ATOM  22894  C   ILE N 173     103.652  40.659  10.936  1.00 18.47           C  
-ATOM  22895  O   ILE N 173     103.611  41.885  11.063  1.00 18.37           O  
-ATOM  22896  CB  ILE N 173     101.705  39.807  12.265  1.00 18.38           C  
-ATOM  22897  CG1 ILE N 173     101.269  38.675  13.201  1.00 18.72           C  
-ATOM  22898  CG2 ILE N 173     100.983  39.702  10.927  1.00 18.45           C  
-ATOM  22899  CD1 ILE N 173      99.813  38.725  13.547  1.00 20.64           C  
-ATOM  22900  N   LEU N 174     104.103  40.052   9.851  1.00 18.72           N  
-ATOM  22901  CA  LEU N 174     104.563  40.795   8.700  1.00 19.38           C  
-ATOM  22902  C   LEU N 174     103.402  41.027   7.750  1.00 19.74           C  
-ATOM  22903  O   LEU N 174     103.252  42.113   7.203  1.00 19.64           O  
-ATOM  22904  CB  LEU N 174     105.745  40.092   8.010  1.00 19.10           C  
-ATOM  22905  CG  LEU N 174     106.961  39.810   8.893  1.00 19.44           C  
-ATOM  22906  CD1 LEU N 174     107.944  38.894   8.182  1.00 19.68           C  
-ATOM  22907  CD2 LEU N 174     107.665  41.104   9.316  1.00 18.74           C  
-ATOM  22908  N   ASP N 175     102.571  40.010   7.579  1.00 19.97           N  
-ATOM  22909  CA  ASP N 175     101.485  40.056   6.615  1.00 21.02           C  
-ATOM  22910  C   ASP N 175     100.474  38.946   6.884  1.00 20.98           C  
-ATOM  22911  O   ASP N 175     100.832  37.861   7.346  1.00 20.63           O  
-ATOM  22912  CB  ASP N 175     102.041  39.914   5.184  1.00 21.78           C  
-ATOM  22913  CG  ASP N 175     101.257  40.730   4.149  1.00 24.33           C  
-ATOM  22914  OD1 ASP N 175     100.146  41.235   4.448  1.00 26.19           O  
-ATOM  22915  OD2 ASP N 175     101.686  40.925   2.989  1.00 27.99           O  
-ATOM  22916  N   VAL N 176      99.211  39.244   6.604  1.00 21.38           N  
-ATOM  22917  CA  VAL N 176      98.134  38.259   6.575  1.00 22.10           C  
-ATOM  22918  C   VAL N 176      97.385  38.368   5.240  1.00 22.80           C  
-ATOM  22919  O   VAL N 176      96.875  39.432   4.902  1.00 23.01           O  
-ATOM  22920  CB  VAL N 176      97.136  38.441   7.755  1.00 22.00           C  
-ATOM  22921  CG1 VAL N 176      96.086  37.365   7.727  1.00 21.36           C  
-ATOM  22922  CG2 VAL N 176      97.855  38.433   9.118  1.00 21.12           C  
-ATOM  22923  N   THR N 177      97.368  37.286   4.466  1.00 23.43           N  
-ATOM  22924  CA  THR N 177      96.570  37.223   3.236  1.00 24.05           C  
-ATOM  22925  C   THR N 177      95.587  36.052   3.307  1.00 24.17           C  
-ATOM  22926  O   THR N 177      95.829  35.075   4.012  1.00 23.30           O  
-ATOM  22927  CB  THR N 177      97.454  37.095   1.967  1.00 24.18           C  
-ATOM  22928  OG1 THR N 177      98.341  35.980   2.086  1.00 25.21           O  
-ATOM  22929  CG2 THR N 177      98.411  38.331   1.801  1.00 24.91           C  
-ATOM  22930  N   GLN N 178      94.469  36.163   2.600  1.00 24.95           N  
-ATOM  22931  CA  GLN N 178      93.592  35.019   2.489  1.00 26.22           C  
-ATOM  22932  C   GLN N 178      93.194  34.687   1.068  1.00 26.42           C  
-ATOM  22933  O   GLN N 178      93.027  35.566   0.215  1.00 25.74           O  
-ATOM  22934  CB  GLN N 178      92.403  35.049   3.462  1.00 26.62           C  
-ATOM  22935  CG  GLN N 178      91.659  36.330   3.584  1.00 29.01           C  
-ATOM  22936  CD  GLN N 178      91.522  36.777   5.032  1.00 32.98           C  
-ATOM  22937  OE1 GLN N 178      90.638  36.271   5.807  1.00 30.90           O  
-ATOM  22938  NE2 GLN N 178      92.394  37.736   5.420  1.00 30.86           N  
-ATOM  22939  N   LYS N 179      93.117  33.384   0.820  1.00 26.65           N  
-ATOM  22940  CA  LYS N 179      92.801  32.851  -0.498  1.00 27.22           C  
-ATOM  22941  C   LYS N 179      91.533  32.008  -0.319  1.00 27.26           C  
-ATOM  22942  O   LYS N 179      91.289  31.459   0.752  1.00 27.23           O  
-ATOM  22943  CB  LYS N 179      93.973  32.007  -1.005  1.00 27.32           C  
-ATOM  22944  CG  LYS N 179      93.802  31.389  -2.391  1.00 29.22           C  
-ATOM  22945  CD  LYS N 179      94.297  29.947  -2.450  1.00 31.99           C  
-ATOM  22946  CE  LYS N 179      95.535  29.765  -3.354  1.00 33.80           C  
-ATOM  22947  NZ  LYS N 179      96.112  28.384  -3.243  1.00 33.44           N  
-ATOM  22948  N   LYS N 180      90.715  31.932  -1.353  1.00 26.81           N  
-ATOM  22949  CA  LYS N 180      89.536  31.119  -1.261  1.00 26.34           C  
-ATOM  22950  C   LYS N 180      89.644  29.926  -2.234  1.00 25.85           C  
-ATOM  22951  O   LYS N 180      90.117  30.082  -3.366  1.00 25.72           O  
-ATOM  22952  CB  LYS N 180      88.282  32.012  -1.350  1.00 26.83           C  
-ATOM  22953  CG  LYS N 180      87.303  31.776  -2.474  1.00 28.23           C  
-ATOM  22954  CD  LYS N 180      86.039  32.600  -2.253  1.00 29.91           C  
-ATOM  22955  CE  LYS N 180      85.175  32.609  -3.520  1.00 32.13           C  
-ATOM  22956  NZ  LYS N 180      84.103  33.647  -3.487  1.00 32.09           N  
-ATOM  22957  N   ASN N 181      89.310  28.727  -1.742  1.00 24.76           N  
-ATOM  22958  CA  ASN N 181      89.395  27.489  -2.528  1.00 24.42           C  
-ATOM  22959  C   ASN N 181      88.122  26.642  -2.509  1.00 23.50           C  
-ATOM  22960  O   ASN N 181      87.262  26.807  -1.652  1.00 23.13           O  
-ATOM  22961  CB  ASN N 181      90.537  26.597  -2.032  1.00 25.23           C  
-ATOM  22962  CG  ASN N 181      91.832  27.356  -1.777  1.00 26.68           C  
-ATOM  22963  OD1 ASN N 181      92.673  27.485  -2.675  1.00 28.83           O  
-ATOM  22964  ND2 ASN N 181      92.016  27.834  -0.539  1.00 26.20           N  
-ATOM  22965  N   SER N 182      88.032  25.708  -3.454  1.00 23.31           N  
-ATOM  22966  CA  SER N 182      86.922  24.753  -3.544  1.00 22.17           C  
-ATOM  22967  C   SER N 182      87.485  23.340  -3.738  1.00 21.78           C  
-ATOM  22968  O   SER N 182      87.984  23.017  -4.814  1.00 20.77           O  
-ATOM  22969  CB  SER N 182      85.995  25.125  -4.711  1.00 22.16           C  
-ATOM  22970  OG  SER N 182      84.661  25.302  -4.265  1.00 22.82           O  
-ATOM  22971  N   VAL N 183      87.417  22.512  -2.689  1.00 20.81           N  
-ATOM  22972  CA  VAL N 183      88.057  21.190  -2.705  1.00 20.26           C  
-ATOM  22973  C   VAL N 183      87.045  20.031  -2.732  1.00 20.04           C  
-ATOM  22974  O   VAL N 183      85.967  20.095  -2.142  1.00 19.52           O  
-ATOM  22975  CB  VAL N 183      89.097  21.022  -1.563  1.00 20.24           C  
-ATOM  22976  CG1 VAL N 183      89.829  19.700  -1.678  1.00 19.83           C  
-ATOM  22977  CG2 VAL N 183      90.123  22.158  -1.616  1.00 21.13           C  
-ATOM  22978  N   THR N 184      87.392  19.008  -3.492  1.00 19.84           N  
-ATOM  22979  CA  THR N 184      86.634  17.763  -3.528  1.00 20.08           C  
-ATOM  22980  C   THR N 184      87.414  16.701  -2.728  1.00 19.47           C  
-ATOM  22981  O   THR N 184      88.639  16.615  -2.827  1.00 19.03           O  
-ATOM  22982  CB  THR N 184      86.374  17.317  -5.015  1.00 20.08           C  
-ATOM  22983  OG1 THR N 184      85.389  18.178  -5.611  1.00 20.21           O  
-ATOM  22984  CG2 THR N 184      85.687  15.946  -5.077  1.00 19.92           C  
-ATOM  22985  N   TYR N 185      86.694  15.928  -1.922  1.00 18.88           N  
-ATOM  22986  CA  TYR N 185      87.278  14.877  -1.094  1.00 18.48           C  
-ATOM  22987  C   TYR N 185      86.832  13.492  -1.546  1.00 18.79           C  
-ATOM  22988  O   TYR N 185      85.802  13.380  -2.202  1.00 18.67           O  
-ATOM  22989  CB  TYR N 185      86.910  15.108   0.373  1.00 18.12           C  
-ATOM  22990  CG  TYR N 185      87.463  16.403   0.857  1.00 15.89           C  
-ATOM  22991  CD1 TYR N 185      88.811  16.512   1.181  1.00 14.09           C  
-ATOM  22992  CD2 TYR N 185      86.660  17.550   0.927  1.00 14.65           C  
-ATOM  22993  CE1 TYR N 185      89.346  17.721   1.606  1.00 16.85           C  
-ATOM  22994  CE2 TYR N 185      87.204  18.785   1.358  1.00 13.32           C  
-ATOM  22995  CZ  TYR N 185      88.547  18.841   1.682  1.00 12.98           C  
-ATOM  22996  OH  TYR N 185      89.122  20.014   2.079  1.00 20.07           O  
-ATOM  22997  N   SER N 186      87.605  12.457  -1.178  1.00 19.45           N  
-ATOM  22998  CA  SER N 186      87.324  11.048  -1.511  1.00 19.98           C  
-ATOM  22999  C   SER N 186      85.976  10.575  -1.008  1.00 19.89           C  
-ATOM  23000  O   SER N 186      85.259   9.860  -1.701  1.00 19.70           O  
-ATOM  23001  CB  SER N 186      88.382  10.145  -0.872  1.00 20.61           C  
-ATOM  23002  OG  SER N 186      89.679  10.426  -1.361  1.00 21.88           O  
-ATOM  23003  N   CYS N 187      85.659  10.973   0.224  1.00 20.16           N  
-ATOM  23004  CA  CYS N 187      84.423  10.603   0.898  1.00 20.42           C  
-ATOM  23005  C   CYS N 187      83.167  10.931   0.091  1.00 20.57           C  
-ATOM  23006  O   CYS N 187      82.255  10.104  -0.037  1.00 19.91           O  
-ATOM  23007  CB  CYS N 187      84.353  11.387   2.216  1.00 21.33           C  
-ATOM  23008  SG  CYS N 187      84.063  13.171   2.014  1.00 21.95           S  
-ATOM  23009  N   CYS N 188      83.126  12.166  -0.424  1.00 20.93           N  
-ATOM  23010  CA  CYS N 188      81.891  12.784  -0.912  1.00 21.27           C  
-ATOM  23011  C   CYS N 188      81.982  13.312  -2.357  1.00 21.47           C  
-ATOM  23012  O   CYS N 188      83.032  13.795  -2.776  1.00 21.58           O  
-ATOM  23013  CB  CYS N 188      81.486  13.893   0.035  1.00 21.28           C  
-ATOM  23014  SG  CYS N 188      82.042  13.665   1.746  1.00 22.74           S  
-ATOM  23015  N   PRO N 189      80.893  13.216  -3.120  1.00 21.50           N  
-ATOM  23016  CA  PRO N 189      80.901  13.657  -4.523  1.00 21.60           C  
-ATOM  23017  C   PRO N 189      80.990  15.178  -4.751  1.00 21.05           C  
-ATOM  23018  O   PRO N 189      81.302  15.561  -5.888  1.00 21.67           O  
-ATOM  23019  CB  PRO N 189      79.574  13.104  -5.078  1.00 21.83           C  
-ATOM  23020  CG  PRO N 189      78.678  13.018  -3.909  1.00 21.90           C  
-ATOM  23021  CD  PRO N 189      79.576  12.682  -2.726  1.00 21.88           C  
-ATOM  23022  N   GLU N 190      80.792  15.997  -3.716  1.00 19.85           N  
-ATOM  23023  CA  GLU N 190      80.608  17.450  -3.881  1.00 19.09           C  
-ATOM  23024  C   GLU N 190      81.850  18.304  -3.525  1.00 18.06           C  
-ATOM  23025  O   GLU N 190      82.730  17.852  -2.794  1.00 17.65           O  
-ATOM  23026  CB  GLU N 190      79.391  17.927  -3.069  1.00 18.87           C  
-ATOM  23027  CG  GLU N 190      78.044  17.388  -3.509  1.00 21.09           C  
-ATOM  23028  CD  GLU N 190      77.508  18.008  -4.809  1.00 24.65           C  
-ATOM  23029  OE1 GLU N 190      76.954  19.137  -4.796  1.00 24.41           O  
-ATOM  23030  OE2 GLU N 190      77.617  17.353  -5.864  1.00 25.13           O  
-ATOM  23031  N   ALA N 191      81.926  19.521  -4.064  1.00 17.29           N  
-ATOM  23032  CA  ALA N 191      83.009  20.446  -3.708  1.00 16.53           C  
-ATOM  23033  C   ALA N 191      82.687  21.178  -2.416  1.00 15.98           C  
-ATOM  23034  O   ALA N 191      81.532  21.562  -2.188  1.00 15.27           O  
-ATOM  23035  CB  ALA N 191      83.260  21.437  -4.833  1.00 16.68           C  
-ATOM  23036  N   TYR N 192      83.706  21.378  -1.579  1.00 15.85           N  
-ATOM  23037  CA  TYR N 192      83.570  22.100  -0.299  1.00 16.27           C  
-ATOM  23038  C   TYR N 192      84.465  23.341  -0.291  1.00 17.23           C  
-ATOM  23039  O   TYR N 192      85.669  23.287  -0.659  1.00 17.52           O  
-ATOM  23040  CB  TYR N 192      83.990  21.213   0.869  1.00 15.53           C  
-ATOM  23041  CG  TYR N 192      83.080  20.049   1.072  1.00 15.92           C  
-ATOM  23042  CD1 TYR N 192      83.193  18.892   0.289  1.00 15.92           C  
-ATOM  23043  CD2 TYR N 192      82.069  20.108   2.032  1.00 15.17           C  
-ATOM  23044  CE1 TYR N 192      82.319  17.831   0.474  1.00 16.71           C  
-ATOM  23045  CE2 TYR N 192      81.205  19.058   2.225  1.00 15.83           C  
-ATOM  23046  CZ  TYR N 192      81.328  17.933   1.451  1.00 16.49           C  
-ATOM  23047  OH  TYR N 192      80.456  16.908   1.674  1.00 17.96           O  
-ATOM  23048  N   GLU N 193      83.906  24.451   0.148  1.00 17.27           N  
-ATOM  23049  CA  GLU N 193      84.653  25.692   0.107  1.00 18.21           C  
-ATOM  23050  C   GLU N 193      85.483  25.921   1.354  1.00 18.57           C  
-ATOM  23051  O   GLU N 193      85.112  25.525   2.429  1.00 17.83           O  
-ATOM  23052  CB  GLU N 193      83.728  26.871  -0.169  1.00 18.11           C  
-ATOM  23053  CG  GLU N 193      83.135  26.826  -1.582  1.00 18.37           C  
-ATOM  23054  CD  GLU N 193      82.477  28.123  -1.997  1.00 19.84           C  
-ATOM  23055  OE1 GLU N 193      82.656  29.131  -1.276  1.00 20.45           O  
-ATOM  23056  OE2 GLU N 193      81.788  28.139  -3.041  1.00 21.44           O  
-ATOM  23057  N   ASP N 194      86.646  26.528   1.176  1.00 19.42           N  
-ATOM  23058  CA  ASP N 194      87.477  26.875   2.317  1.00 20.42           C  
-ATOM  23059  C   ASP N 194      88.132  28.231   2.115  1.00 19.83           C  
-ATOM  23060  O   ASP N 194      88.238  28.736   0.996  1.00 19.56           O  
-ATOM  23061  CB  ASP N 194      88.516  25.774   2.609  1.00 20.74           C  
-ATOM  23062  CG  ASP N 194      89.625  25.695   1.546  1.00 24.86           C  
-ATOM  23063  OD1 ASP N 194      90.438  26.654   1.455  1.00 28.04           O  
-ATOM  23064  OD2 ASP N 194      89.770  24.718   0.751  1.00 29.25           O  
-ATOM  23065  N   VAL N 195      88.539  28.839   3.213  1.00 19.50           N  
-ATOM  23066  CA  VAL N 195      89.413  30.011   3.130  1.00 19.79           C  
-ATOM  23067  C   VAL N 195      90.768  29.599   3.704  1.00 19.15           C  
-ATOM  23068  O   VAL N 195      90.842  28.998   4.751  1.00 19.18           O  
-ATOM  23069  CB  VAL N 195      88.838  31.238   3.900  1.00 20.01           C  
-ATOM  23070  CG1 VAL N 195      89.875  32.381   3.936  1.00 21.12           C  
-ATOM  23071  CG2 VAL N 195      87.583  31.730   3.245  1.00 20.56           C  
-ATOM  23072  N   GLU N 196      91.834  29.881   2.989  1.00 19.05           N  
-ATOM  23073  CA  GLU N 196      93.184  29.675   3.496  1.00 19.21           C  
-ATOM  23074  C   GLU N 196      93.691  31.036   3.971  1.00 18.72           C  
-ATOM  23075  O   GLU N 196      93.737  32.010   3.204  1.00 18.63           O  
-ATOM  23076  CB  GLU N 196      94.104  29.084   2.412  1.00 19.18           C  
-ATOM  23077  CG  GLU N 196      94.061  27.552   2.382  1.00 23.18           C  
-ATOM  23078  CD  GLU N 196      94.725  26.898   1.162  1.00 27.95           C  
-ATOM  23079  OE1 GLU N 196      95.370  27.603   0.317  1.00 28.61           O  
-ATOM  23080  OE2 GLU N 196      94.594  25.645   1.042  1.00 28.60           O  
-ATOM  23081  N   VAL N 197      94.061  31.096   5.243  1.00 18.11           N  
-ATOM  23082  CA  VAL N 197      94.633  32.307   5.834  1.00 17.74           C  
-ATOM  23083  C   VAL N 197      96.138  32.126   6.053  1.00 17.49           C  
-ATOM  23084  O   VAL N 197      96.577  31.283   6.840  1.00 17.60           O  
-ATOM  23085  CB  VAL N 197      93.932  32.621   7.150  1.00 17.85           C  
-ATOM  23086  CG1 VAL N 197      94.492  33.881   7.819  1.00 17.46           C  
-ATOM  23087  CG2 VAL N 197      92.427  32.768   6.919  1.00 18.08           C  
-ATOM  23088  N   SER N 198      96.926  32.910   5.353  1.00 17.12           N  
-ATOM  23089  CA  SER N 198      98.385  32.818   5.397  1.00 17.37           C  
-ATOM  23090  C   SER N 198      98.941  33.880   6.340  1.00 17.48           C  
-ATOM  23091  O   SER N 198      98.860  35.090   6.079  1.00 16.95           O  
-ATOM  23092  CB  SER N 198      98.983  32.984   3.987  1.00 17.49           C  
-ATOM  23093  OG  SER N 198      98.638  31.874   3.168  1.00 19.52           O  
-ATOM  23094  N   LEU N 199      99.478  33.411   7.452  1.00 17.06           N  
-ATOM  23095  CA  LEU N 199     100.054  34.272   8.449  1.00 16.91           C  
-ATOM  23096  C   LEU N 199     101.568  34.302   8.241  1.00 16.62           C  
-ATOM  23097  O   LEU N 199     102.235  33.294   8.443  1.00 16.55           O  
-ATOM  23098  CB  LEU N 199      99.693  33.733   9.832  1.00 17.12           C  
-ATOM  23099  CG  LEU N 199     100.357  34.320  11.071  1.00 18.16           C  
-ATOM  23100  CD1 LEU N 199      99.940  35.760  11.277  1.00 18.55           C  
-ATOM  23101  CD2 LEU N 199     100.017  33.490  12.289  1.00 18.70           C  
-ATOM  23102  N   ASN N 200     102.090  35.458   7.812  1.00 16.09           N  
-ATOM  23103  CA  ASN N 200     103.518  35.670   7.645  1.00 15.70           C  
-ATOM  23104  C   ASN N 200     104.017  36.337   8.917  1.00 15.17           C  
-ATOM  23105  O   ASN N 200     103.580  37.430   9.265  1.00 14.83           O  
-ATOM  23106  CB  ASN N 200     103.775  36.528   6.391  1.00 15.84           C  
-ATOM  23107  CG  ASN N 200     105.249  36.707   6.058  1.00 17.21           C  
-ATOM  23108  OD1 ASN N 200     105.605  37.705   5.432  1.00 17.84           O  
-ATOM  23109  ND2 ASN N 200     106.105  35.741   6.434  1.00 18.34           N  
-ATOM  23110  N   PHE N 201     104.890  35.658   9.647  1.00 14.28           N  
-ATOM  23111  CA  PHE N 201     105.339  36.162  10.935  1.00 13.91           C  
-ATOM  23112  C   PHE N 201     106.781  35.758  11.192  1.00 13.35           C  
-ATOM  23113  O   PHE N 201     107.339  34.900  10.492  1.00 13.09           O  
-ATOM  23114  CB  PHE N 201     104.424  35.626  12.058  1.00 14.23           C  
-ATOM  23115  CG  PHE N 201     104.623  34.168  12.355  1.00 15.29           C  
-ATOM  23116  CD1 PHE N 201     104.152  33.191  11.482  1.00 15.93           C  
-ATOM  23117  CD2 PHE N 201     105.315  33.771  13.492  1.00 15.94           C  
-ATOM  23118  CE1 PHE N 201     104.329  31.803  11.761  1.00 16.29           C  
-ATOM  23119  CE2 PHE N 201     105.511  32.413  13.770  1.00 16.57           C  
-ATOM  23120  CZ  PHE N 201     105.023  31.427  12.900  1.00 16.38           C  
-ATOM  23121  N   ARG N 202     107.375  36.364  12.207  1.00 11.94           N  
-ATOM  23122  CA  ARG N 202     108.749  36.050  12.555  1.00 10.44           C  
-ATOM  23123  C   ARG N 202     108.978  36.300  14.028  1.00  9.39           C  
-ATOM  23124  O   ARG N 202     108.166  36.969  14.687  1.00  7.00           O  
-ATOM  23125  CB  ARG N 202     109.715  36.889  11.720  1.00 10.60           C  
-ATOM  23126  CG  ARG N 202     109.614  38.421  11.946  1.00 12.14           C  
-ATOM  23127  CD  ARG N 202     110.465  39.240  10.946  1.00 12.13           C  
-ATOM  23128  NE  ARG N 202     111.511  40.041  11.582  1.00 17.33           N  
-ATOM  23129  CZ  ARG N 202     112.527  39.549  12.273  1.00 18.43           C  
-ATOM  23130  NH1 ARG N 202     112.658  38.229  12.428  1.00 21.58           N  
-ATOM  23131  NH2 ARG N 202     113.422  40.368  12.813  1.00 16.86           N  
-ATOM  23132  N   LYS N 203     110.086  35.757  14.521  1.00  8.84           N  
-ATOM  23133  CA  LYS N 203     110.572  36.033  15.863  1.00  9.86           C  
-ATOM  23134  C   LYS N 203     111.187  37.416  15.915  1.00  8.99           C  
-ATOM  23135  O   LYS N 203     111.967  37.784  15.050  1.00  8.22           O  
-ATOM  23136  CB  LYS N 203     111.648  35.020  16.254  1.00 10.47           C  
-ATOM  23137  CG  LYS N 203     111.574  34.605  17.704  1.00 13.94           C  
-ATOM  23138  CD  LYS N 203     112.775  33.762  18.064  1.00 18.23           C  
-ATOM  23139  CE  LYS N 203     112.417  32.626  19.049  1.00 19.52           C  
-ATOM  23140  NZ  LYS N 203     113.701  31.911  19.469  1.00 21.40           N  
-ATOM  23141  N   LYS N 204     110.841  38.189  16.933  1.00 10.06           N  
-ATOM  23142  CA  LYS N 204     111.506  39.470  17.104  1.00 11.27           C  
-ATOM  23143  C   LYS N 204     112.910  39.259  17.611  1.00 11.82           C  
-ATOM  23144  O   LYS N 204     113.137  38.443  18.502  1.00 12.08           O  
-ATOM  23145  CB  LYS N 204     110.760  40.369  18.065  1.00 10.80           C  
-ATOM  23146  CG  LYS N 204     109.654  41.106  17.436  1.00 11.59           C  
-ATOM  23147  CD  LYS N 204     108.395  40.942  18.288  1.00 12.06           C  
-ATOM  23148  CE  LYS N 204     108.438  41.846  19.509  1.00 10.09           C  
-ATOM  23149  NZ  LYS N 204     107.053  42.187  19.954  1.00  5.98           N  
-ATOM  23150  N   GLY N 205     113.854  40.004  17.045  1.00 12.60           N  
-ATOM  23151  CA  GLY N 205     115.194  40.002  17.577  1.00 13.11           C  
-ATOM  23152  C   GLY N 205     115.105  40.772  18.881  1.00 13.67           C  
-ATOM  23153  O   GLY N 205     114.180  41.614  19.048  1.00 13.74           O  
-ATOM  23154  N   ARG N 206     116.057  40.484  19.798  1.00 14.05           N  
-ATOM  23155  CA  ARG N 206     116.092  41.178  21.074  1.00 14.41           C  
-ATOM  23156  C   ARG N 206     116.243  42.698  20.789  1.00 14.76           C  
-ATOM  23157  O   ARG N 206     117.347  43.218  20.595  1.00 14.10           O  
-ATOM  23158  CB  ARG N 206     117.207  40.583  21.941  1.00 14.42           C  
-ATOM  23159  CG  ARG N 206     117.252  41.048  23.393  1.00 14.53           C  
-ATOM  23160  CD  ARG N 206     118.530  40.613  24.102  1.00 17.04           C  
-ATOM  23161  NE  ARG N 206     118.977  41.570  25.112  1.00 16.03           N  
-ATOM  23162  CZ  ARG N 206     119.809  42.572  24.886  1.00 14.81           C  
-ATOM  23163  NH1 ARG N 206     120.318  42.761  23.681  1.00 15.04           N  
-ATOM  23164  NH2 ARG N 206     120.130  43.389  25.870  1.00 14.73           N  
-ATOM  23165  N   SER N 207     115.082  43.357  20.687  1.00 15.76           N  
-ATOM  23166  CA  SER N 207     114.921  44.797  20.376  1.00 16.04           C  
-ATOM  23167  C   SER N 207     113.438  45.287  20.419  1.00 16.37           C  
-ATOM  23168  O   SER N 207     112.486  44.547  20.117  1.00 16.01           O  
-ATOM  23169  CB  SER N 207     115.534  45.147  19.020  1.00 16.14           C  
-ATOM  23170  OG  SER N 207     116.196  46.410  19.082  1.00 14.98           O  
-TER   23171      SER N 207                                                      
-ATOM  23172  N   GLU O   0      56.674  16.983  -0.172  1.00 25.51           N  
-ATOM  23173  CA  GLU O   0      57.167  18.407  -0.185  1.00 25.80           C  
-ATOM  23174  C   GLU O   0      57.816  18.904   1.131  1.00 25.14           C  
-ATOM  23175  O   GLU O   0      57.293  19.847   1.769  1.00 25.11           O  
-ATOM  23176  CB  GLU O   0      56.026  19.356  -0.600  1.00 26.18           C  
-ATOM  23177  CG  GLU O   0      56.480  20.576  -1.388  1.00 28.30           C  
-ATOM  23178  CD  GLU O   0      55.956  20.570  -2.816  1.00 31.00           C  
-ATOM  23179  OE1 GLU O   0      54.743  20.814  -3.009  1.00 30.03           O  
-ATOM  23180  OE2 GLU O   0      56.757  20.307  -3.750  1.00 32.52           O  
-ATOM  23181  N   PHE O   1      58.972  18.330   1.494  1.00 23.23           N  
-ATOM  23182  CA  PHE O   1      59.634  18.703   2.743  1.00 22.69           C  
-ATOM  23183  C   PHE O   1      60.744  19.685   2.481  1.00 22.01           C  
-ATOM  23184  O   PHE O   1      61.468  19.559   1.489  1.00 22.28           O  
-ATOM  23185  CB  PHE O   1      60.263  17.491   3.465  1.00 22.65           C  
-ATOM  23186  CG  PHE O   1      59.373  16.279   3.538  1.00 24.53           C  
-ATOM  23187  CD1 PHE O   1      58.225  16.280   4.352  1.00 26.31           C  
-ATOM  23188  CD2 PHE O   1      59.687  15.126   2.801  1.00 25.86           C  
-ATOM  23189  CE1 PHE O   1      57.381  15.166   4.413  1.00 27.89           C  
-ATOM  23190  CE2 PHE O   1      58.868  13.990   2.856  1.00 26.67           C  
-ATOM  23191  CZ  PHE O   1      57.706  14.008   3.665  1.00 28.30           C  
-ATOM  23192  N   ASP O   2      60.906  20.646   3.383  1.00 21.04           N  
-ATOM  23193  CA  ASP O   2      62.129  21.435   3.388  1.00 20.36           C  
-ATOM  23194  C   ASP O   2      63.081  20.892   4.455  1.00 19.37           C  
-ATOM  23195  O   ASP O   2      62.738  19.940   5.185  1.00 18.97           O  
-ATOM  23196  CB  ASP O   2      61.830  22.931   3.561  1.00 20.82           C  
-ATOM  23197  CG  ASP O   2      61.147  23.253   4.876  1.00 21.98           C  
-ATOM  23198  OD1 ASP O   2      61.203  22.416   5.817  1.00 22.30           O  
-ATOM  23199  OD2 ASP O   2      60.525  24.351   5.041  1.00 24.18           O  
-ATOM  23200  N   ARG O   3      64.265  21.491   4.555  1.00 18.42           N  
-ATOM  23201  CA  ARG O   3      65.281  21.023   5.481  1.00 17.79           C  
-ATOM  23202  C   ARG O   3      64.750  20.983   6.891  1.00 17.33           C  
-ATOM  23203  O   ARG O   3      64.993  19.997   7.628  1.00 17.33           O  
-ATOM  23204  CB  ARG O   3      66.528  21.888   5.425  1.00 17.85           C  
-ATOM  23205  CG  ARG O   3      67.509  21.416   4.401  1.00 18.91           C  
-ATOM  23206  CD  ARG O   3      68.506  22.464   3.932  1.00 19.27           C  
-ATOM  23207  NE  ARG O   3      69.368  21.885   2.906  1.00 22.18           N  
-ATOM  23208  CZ  ARG O   3      69.218  22.075   1.593  1.00 25.86           C  
-ATOM  23209  NH1 ARG O   3      68.248  22.861   1.115  1.00 27.29           N  
-ATOM  23210  NH2 ARG O   3      70.057  21.481   0.746  1.00 26.27           N  
-ATOM  23211  N   ALA O   4      64.042  22.046   7.265  1.00 16.24           N  
-ATOM  23212  CA  ALA O   4      63.472  22.149   8.603  1.00 16.00           C  
-ATOM  23213  C   ALA O   4      62.581  20.944   8.923  1.00 15.52           C  
-ATOM  23214  O   ALA O   4      62.687  20.392   9.990  1.00 15.26           O  
-ATOM  23215  CB  ALA O   4      62.709  23.484   8.780  1.00 15.32           C  
-ATOM  23216  N   ASP O   5      61.709  20.560   7.992  1.00 15.88           N  
-ATOM  23217  CA  ASP O   5      60.783  19.450   8.174  1.00 16.35           C  
-ATOM  23218  C   ASP O   5      61.540  18.135   8.333  1.00 15.94           C  
-ATOM  23219  O   ASP O   5      61.195  17.336   9.201  1.00 15.56           O  
-ATOM  23220  CB  ASP O   5      59.844  19.328   6.984  1.00 17.31           C  
-ATOM  23221  CG  ASP O   5      58.885  20.508   6.845  1.00 20.76           C  
-ATOM  23222  OD1 ASP O   5      58.528  21.154   7.864  1.00 23.97           O  
-ATOM  23223  OD2 ASP O   5      58.419  20.840   5.742  1.00 24.96           O  
-ATOM  23224  N   ILE O   6      62.573  17.933   7.504  1.00 15.60           N  
-ATOM  23225  CA  ILE O   6      63.361  16.689   7.496  1.00 14.66           C  
-ATOM  23226  C   ILE O   6      64.019  16.547   8.850  1.00 14.78           C  
-ATOM  23227  O   ILE O   6      63.949  15.479   9.488  1.00 14.00           O  
-ATOM  23228  CB  ILE O   6      64.401  16.670   6.337  1.00 14.51           C  
-ATOM  23229  CG1 ILE O   6      63.702  16.613   4.967  1.00 14.15           C  
-ATOM  23230  CG2 ILE O   6      65.326  15.458   6.420  1.00 14.29           C  
-ATOM  23231  CD1 ILE O   6      64.595  17.084   3.768  1.00 13.11           C  
-ATOM  23232  N   LEU O   7      64.598  17.643   9.329  1.00 15.21           N  
-ATOM  23233  CA  LEU O   7      65.364  17.631  10.566  1.00 15.68           C  
-ATOM  23234  C   LEU O   7      64.457  17.511  11.778  1.00 15.59           C  
-ATOM  23235  O   LEU O   7      64.784  16.816  12.731  1.00 14.86           O  
-ATOM  23236  CB  LEU O   7      66.295  18.869  10.651  1.00 16.19           C  
-ATOM  23237  CG  LEU O   7      67.505  18.786   9.696  1.00 17.23           C  
-ATOM  23238  CD1 LEU O   7      67.992  20.120   9.285  1.00 19.03           C  
-ATOM  23239  CD2 LEU O   7      68.637  18.044  10.350  1.00 19.16           C  
-ATOM  23240  N   TYR O   8      63.319  18.194  11.732  1.00 15.98           N  
-ATOM  23241  CA  TYR O   8      62.275  18.000  12.731  1.00 16.84           C  
-ATOM  23242  C   TYR O   8      61.848  16.534  12.835  1.00 16.46           C  
-ATOM  23243  O   TYR O   8      61.846  15.980  13.927  1.00 16.15           O  
-ATOM  23244  CB  TYR O   8      61.056  18.882  12.410  1.00 17.80           C  
-ATOM  23245  CG  TYR O   8      59.878  18.770  13.385  1.00 20.90           C  
-ATOM  23246  CD1 TYR O   8      59.965  19.285  14.679  1.00 24.28           C  
-ATOM  23247  CD2 TYR O   8      58.688  18.168  12.994  1.00 23.00           C  
-ATOM  23248  CE1 TYR O   8      58.891  19.213  15.560  1.00 26.30           C  
-ATOM  23249  CE2 TYR O   8      57.595  18.086  13.859  1.00 25.46           C  
-ATOM  23250  CZ  TYR O   8      57.700  18.603  15.148  1.00 26.93           C  
-ATOM  23251  OH  TYR O   8      56.631  18.514  16.022  1.00 28.28           O  
-ATOM  23252  N   ASN O   9      61.480  15.931  11.704  1.00 16.17           N  
-ATOM  23253  CA  ASN O   9      61.032  14.563  11.675  1.00 16.55           C  
-ATOM  23254  C   ASN O   9      62.106  13.634  12.209  1.00 16.41           C  
-ATOM  23255  O   ASN O   9      61.793  12.753  13.006  1.00 15.80           O  
-ATOM  23256  CB  ASN O   9      60.553  14.154  10.285  1.00 16.57           C  
-ATOM  23257  CG  ASN O   9      59.285  14.885   9.876  1.00 18.24           C  
-ATOM  23258  OD1 ASN O   9      58.603  15.483  10.719  1.00 18.87           O  
-ATOM  23259  ND2 ASN O   9      58.976  14.859   8.585  1.00 17.44           N  
-ATOM  23260  N   ILE O  10      63.364  13.878  11.818  1.00 16.28           N  
-ATOM  23261  CA  ILE O  10      64.466  13.082  12.337  1.00 16.62           C  
-ATOM  23262  C   ILE O  10      64.600  13.224  13.865  1.00 17.33           C  
-ATOM  23263  O   ILE O  10      64.693  12.226  14.583  1.00 16.13           O  
-ATOM  23264  CB  ILE O  10      65.798  13.428  11.624  1.00 16.43           C  
-ATOM  23265  CG1 ILE O  10      65.822  12.771  10.235  1.00 15.46           C  
-ATOM  23266  CG2 ILE O  10      67.005  12.975  12.483  1.00 15.82           C  
-ATOM  23267  CD1 ILE O  10      66.939  13.234   9.384  1.00 13.94           C  
-ATOM  23268  N   ARG O  11      64.621  14.463  14.337  1.00 18.25           N  
-ATOM  23269  CA  ARG O  11      64.723  14.741  15.777  1.00 21.11           C  
-ATOM  23270  C   ARG O  11      63.565  14.154  16.607  1.00 21.26           C  
-ATOM  23271  O   ARG O  11      63.789  13.576  17.669  1.00 22.20           O  
-ATOM  23272  CB  ARG O  11      64.800  16.246  16.026  1.00 20.95           C  
-ATOM  23273  CG  ARG O  11      65.164  16.638  17.439  1.00 25.40           C  
-ATOM  23274  CD  ARG O  11      64.765  18.077  17.784  1.00 34.68           C  
-ATOM  23275  NE  ARG O  11      65.061  18.990  16.673  1.00 39.14           N  
-ATOM  23276  CZ  ARG O  11      64.252  19.968  16.226  1.00 41.49           C  
-ATOM  23277  NH1 ARG O  11      63.068  20.216  16.799  1.00 40.38           N  
-ATOM  23278  NH2 ARG O  11      64.644  20.705  15.188  1.00 41.73           N  
-ATOM  23279  N   GLN O  12      62.333  14.317  16.120  1.00 20.82           N  
-ATOM  23280  CA  GLN O  12      61.153  13.926  16.882  1.00 20.35           C  
-ATOM  23281  C   GLN O  12      61.010  12.411  16.987  1.00 20.07           C  
-ATOM  23282  O   GLN O  12      60.421  11.933  17.944  1.00 20.62           O  
-ATOM  23283  CB  GLN O  12      59.872  14.547  16.302  1.00 20.24           C  
-ATOM  23284  CG  GLN O  12      59.699  16.032  16.600  1.00 22.30           C  
-ATOM  23285  CD  GLN O  12      59.320  16.308  18.045  1.00 25.36           C  
-ATOM  23286  OE1 GLN O  12      58.146  16.569  18.338  1.00 27.70           O  
-ATOM  23287  NE2 GLN O  12      60.297  16.227  18.954  1.00 23.02           N  
-ATOM  23288  N   THR O  13      61.560  11.668  16.030  1.00 19.39           N  
-ATOM  23289  CA  THR O  13      61.365  10.215  15.955  1.00 20.38           C  
-ATOM  23290  C   THR O  13      62.732   9.553  16.078  1.00 22.59           C  
-ATOM  23291  O   THR O  13      62.912   8.400  15.642  1.00 23.56           O  
-ATOM  23292  CB  THR O  13      60.768   9.799  14.589  1.00 19.33           C  
-ATOM  23293  OG1 THR O  13      61.593  10.325  13.537  1.00 17.82           O  
-ATOM  23294  CG2 THR O  13      59.401  10.448  14.332  1.00 17.03           C  
-ATOM  23295  N   SER O  14      63.694  10.311  16.633  1.00 23.96           N  
-ATOM  23296  CA  SER O  14      65.095   9.884  16.758  1.00 24.28           C  
-ATOM  23297  C   SER O  14      65.164   8.818  17.822  1.00 25.08           C  
-ATOM  23298  O   SER O  14      64.832   9.087  19.018  1.00 25.82           O  
-ATOM  23299  CB  SER O  14      66.022  11.067  17.125  1.00 24.18           C  
-ATOM  23300  OG  SER O  14      65.782  11.614  18.408  1.00 21.21           O  
-ATOM  23301  N   ARG O  15      65.534   7.612  17.396  1.00 23.75           N  
-ATOM  23302  CA  ARG O  15      65.759   6.557  18.367  1.00 23.29           C  
-ATOM  23303  C   ARG O  15      67.260   6.269  18.356  1.00 21.93           C  
-ATOM  23304  O   ARG O  15      67.697   5.279  17.776  1.00 21.37           O  
-ATOM  23305  CB  ARG O  15      64.906   5.330  18.066  1.00 22.97           C  
-ATOM  23306  CG  ARG O  15      63.395   5.586  18.128  1.00 24.77           C  
-ATOM  23307  CD  ARG O  15      62.787   5.758  19.549  1.00 26.33           C  
-ATOM  23308  NE  ARG O  15      63.334   4.856  20.587  1.00 26.68           N  
-ATOM  23309  CZ  ARG O  15      62.877   3.625  20.900  1.00 25.03           C  
-ATOM  23310  NH1 ARG O  15      61.852   3.072  20.262  1.00 24.21           N  
-ATOM  23311  NH2 ARG O  15      63.460   2.945  21.872  1.00 21.18           N  
-ATOM  23312  N   PRO O  16      68.031   7.150  19.005  1.00 20.59           N  
-ATOM  23313  CA  PRO O  16      69.496   7.094  18.918  1.00 20.13           C  
-ATOM  23314  C   PRO O  16      70.127   5.931  19.690  1.00 19.06           C  
-ATOM  23315  O   PRO O  16      71.329   5.658  19.519  1.00 19.24           O  
-ATOM  23316  CB  PRO O  16      69.967   8.468  19.482  1.00 19.96           C  
-ATOM  23317  CG  PRO O  16      68.637   9.328  19.789  1.00 20.20           C  
-ATOM  23318  CD  PRO O  16      67.554   8.264  19.874  1.00 21.59           C  
-ATOM  23319  N   ASP O  17      69.335   5.275  20.509  1.00 17.32           N  
-ATOM  23320  CA  ASP O  17      69.820   4.230  21.362  1.00 18.66           C  
-ATOM  23321  C   ASP O  17      69.528   2.890  20.712  1.00 17.52           C  
-ATOM  23322  O   ASP O  17      69.872   1.862  21.226  1.00 18.66           O  
-ATOM  23323  CB  ASP O  17      69.196   4.371  22.759  1.00 18.93           C  
-ATOM  23324  CG  ASP O  17      69.830   5.526  23.568  1.00 23.43           C  
-ATOM  23325  OD1 ASP O  17      71.060   5.789  23.393  1.00 25.54           O  
-ATOM  23326  OD2 ASP O  17      69.192   6.231  24.402  1.00 28.62           O  
-ATOM  23327  N   VAL O  18      68.881   2.919  19.561  1.00 17.64           N  
-ATOM  23328  CA  VAL O  18      68.392   1.682  18.952  1.00 17.45           C  
-ATOM  23329  C   VAL O  18      69.197   1.380  17.711  1.00 17.55           C  
-ATOM  23330  O   VAL O  18      69.149   2.141  16.743  1.00 17.16           O  
-ATOM  23331  CB  VAL O  18      66.893   1.770  18.597  1.00 17.40           C  
-ATOM  23332  CG1 VAL O  18      66.429   0.471  17.928  1.00 16.97           C  
-ATOM  23333  CG2 VAL O  18      66.074   2.086  19.852  1.00 16.07           C  
-ATOM  23334  N   ILE O  19      69.945   0.278  17.751  1.00 17.75           N  
-ATOM  23335  CA  ILE O  19      70.732  -0.143  16.587  1.00 18.33           C  
-ATOM  23336  C   ILE O  19      69.776  -0.445  15.431  1.00 19.10           C  
-ATOM  23337  O   ILE O  19      68.841  -1.217  15.624  1.00 19.08           O  
-ATOM  23338  CB  ILE O  19      71.667  -1.317  16.928  1.00 17.97           C  
-ATOM  23339  CG1 ILE O  19      72.555  -1.694  15.725  1.00 17.28           C  
-ATOM  23340  CG2 ILE O  19      70.879  -2.525  17.488  1.00 16.85           C  
-ATOM  23341  CD1 ILE O  19      73.607  -2.759  16.067  1.00 16.53           C  
-ATOM  23342  N   PRO O  20      69.997   0.167  14.258  1.00 20.04           N  
-ATOM  23343  CA  PRO O  20      69.075   0.050  13.117  1.00 21.32           C  
-ATOM  23344  C   PRO O  20      69.206  -1.277  12.393  1.00 22.77           C  
-ATOM  23345  O   PRO O  20      69.451  -1.333  11.193  1.00 22.89           O  
-ATOM  23346  CB  PRO O  20      69.509   1.186  12.191  1.00 20.87           C  
-ATOM  23347  CG  PRO O  20      70.959   1.290  12.428  1.00 21.16           C  
-ATOM  23348  CD  PRO O  20      71.169   0.989  13.926  1.00 20.43           C  
-ATOM  23349  N   THR O  21      69.075  -2.335  13.163  1.00 24.76           N  
-ATOM  23350  CA  THR O  21      69.099  -3.694  12.656  1.00 27.32           C  
-ATOM  23351  C   THR O  21      67.902  -3.916  11.745  1.00 28.68           C  
-ATOM  23352  O   THR O  21      66.756  -3.602  12.113  1.00 29.15           O  
-ATOM  23353  CB  THR O  21      69.138  -4.640  13.859  1.00 27.14           C  
-ATOM  23354  OG1 THR O  21      70.492  -5.113  14.026  1.00 28.38           O  
-ATOM  23355  CG2 THR O  21      68.290  -5.887  13.644  1.00 28.55           C  
-ATOM  23356  N   GLN O  22      68.205  -4.369  10.526  1.00 30.02           N  
-ATOM  23357  CA  GLN O  22      67.225  -4.494   9.432  1.00 31.78           C  
-ATOM  23358  C   GLN O  22      66.986  -5.955   9.082  1.00 32.11           C  
-ATOM  23359  O   GLN O  22      67.854  -6.584   8.449  1.00 32.79           O  
-ATOM  23360  CB  GLN O  22      67.738  -3.772   8.166  1.00 32.37           C  
-ATOM  23361  CG  GLN O  22      67.204  -2.354   7.909  1.00 34.32           C  
-ATOM  23362  CD  GLN O  22      68.287  -1.395   7.332  1.00 37.63           C  
-ATOM  23363  OE1 GLN O  22      68.922  -1.715   6.310  1.00 38.23           O  
-ATOM  23364  NE2 GLN O  22      68.481  -0.225   7.983  1.00 33.74           N  
-ATOM  23365  N   ARG O  23      65.827  -6.495   9.477  1.00 32.05           N  
-ATOM  23366  CA  ARG O  23      65.439  -7.888   9.133  1.00 31.99           C  
-ATOM  23367  C   ARG O  23      66.351  -8.969   9.744  1.00 31.27           C  
-ATOM  23368  O   ARG O  23      66.647  -9.982   9.100  1.00 30.79           O  
-ATOM  23369  CB  ARG O  23      65.339  -8.082   7.604  1.00 32.27           C  
-ATOM  23370  CG  ARG O  23      64.526  -9.298   7.158  1.00 33.94           C  
-ATOM  23371  CD  ARG O  23      63.066  -8.992   6.796  1.00 38.92           C  
-ATOM  23372  NE  ARG O  23      62.941  -7.785   5.969  1.00 41.70           N  
-ATOM  23373  CZ  ARG O  23      61.800  -7.280   5.508  1.00 42.05           C  
-ATOM  23374  NH1 ARG O  23      60.632  -7.865   5.772  1.00 42.75           N  
-ATOM  23375  NH2 ARG O  23      61.837  -6.182   4.771  1.00 42.14           N  
-ATOM  23376  N   ASP O  24      66.793  -8.735  10.982  1.00 30.60           N  
-ATOM  23377  CA  ASP O  24      67.594  -9.699  11.747  1.00 29.83           C  
-ATOM  23378  C   ASP O  24      69.050  -9.829  11.194  1.00 28.52           C  
-ATOM  23379  O   ASP O  24      69.716 -10.863  11.358  1.00 27.84           O  
-ATOM  23380  CB  ASP O  24      66.878 -11.077  11.849  1.00 29.78           C  
-ATOM  23381  CG  ASP O  24      65.312 -10.966  11.976  1.00 31.99           C  
-ATOM  23382  OD1 ASP O  24      64.801  -9.882  12.359  1.00 33.40           O  
-ATOM  23383  OD2 ASP O  24      64.506 -11.923  11.727  1.00 29.04           O  
-ATOM  23384  N   ARG O  25      69.533  -8.773  10.543  1.00 26.37           N  
-ATOM  23385  CA  ARG O  25      70.858  -8.804   9.923  1.00 25.44           C  
-ATOM  23386  C   ARG O  25      71.791  -7.770  10.556  1.00 23.42           C  
-ATOM  23387  O   ARG O  25      71.309  -6.723  11.005  1.00 22.15           O  
-ATOM  23388  CB  ARG O  25      70.750  -8.599   8.406  1.00 25.99           C  
-ATOM  23389  CG  ARG O  25      70.076  -9.780   7.684  1.00 30.04           C  
-ATOM  23390  CD  ARG O  25      69.626  -9.465   6.256  1.00 35.92           C  
-ATOM  23391  NE  ARG O  25      68.377 -10.153   5.916  1.00 40.70           N  
-ATOM  23392  CZ  ARG O  25      68.089 -10.648   4.716  1.00 42.87           C  
-ATOM  23393  NH1 ARG O  25      68.967 -10.535   3.719  1.00 43.96           N  
-ATOM  23394  NH2 ARG O  25      66.921 -11.263   4.512  1.00 43.12           N  
-ATOM  23395  N   PRO O  26      73.104  -8.053  10.606  1.00 22.36           N  
-ATOM  23396  CA  PRO O  26      74.010  -7.097  11.230  1.00 20.94           C  
-ATOM  23397  C   PRO O  26      73.995  -5.773  10.446  1.00 19.87           C  
-ATOM  23398  O   PRO O  26      73.829  -5.762   9.220  1.00 19.06           O  
-ATOM  23399  CB  PRO O  26      75.394  -7.776  11.145  1.00 21.14           C  
-ATOM  23400  CG  PRO O  26      75.272  -8.837  10.048  1.00 21.40           C  
-ATOM  23401  CD  PRO O  26      73.829  -9.243  10.084  1.00 22.14           C  
-ATOM  23402  N   VAL O  27      74.117  -4.674  11.172  1.00 18.48           N  
-ATOM  23403  CA  VAL O  27      74.355  -3.357  10.574  1.00 17.77           C  
-ATOM  23404  C   VAL O  27      75.784  -3.369  10.026  1.00 17.31           C  
-ATOM  23405  O   VAL O  27      76.749  -3.551  10.796  1.00 16.96           O  
-ATOM  23406  CB  VAL O  27      74.195  -2.238  11.593  1.00 17.68           C  
-ATOM  23407  CG1 VAL O  27      74.549  -0.838  10.965  1.00 17.58           C  
-ATOM  23408  CG2 VAL O  27      72.811  -2.213  12.128  1.00 17.73           C  
-ATOM  23409  N   ALA O  28      75.911  -3.235   8.707  1.00 16.48           N  
-ATOM  23410  CA  ALA O  28      77.212  -3.250   8.038  1.00 16.34           C  
-ATOM  23411  C   ALA O  28      77.832  -1.852   8.146  1.00 16.10           C  
-ATOM  23412  O   ALA O  28      77.355  -0.942   7.527  1.00 16.11           O  
-ATOM  23413  CB  ALA O  28      77.068  -3.670   6.549  1.00 15.64           C  
-ATOM  23414  N   VAL O  29      78.883  -1.715   8.945  1.00 16.05           N  
-ATOM  23415  CA  VAL O  29      79.550  -0.445   9.153  1.00 16.37           C  
-ATOM  23416  C   VAL O  29      80.882  -0.455   8.397  1.00 17.59           C  
-ATOM  23417  O   VAL O  29      81.633  -1.452   8.454  1.00 17.57           O  
-ATOM  23418  CB  VAL O  29      79.803  -0.204  10.661  1.00 16.35           C  
-ATOM  23419  CG1 VAL O  29      80.598   1.022  10.877  1.00 14.71           C  
-ATOM  23420  CG2 VAL O  29      78.470  -0.174  11.471  1.00 15.44           C  
-ATOM  23421  N   SER O  30      81.167   0.627   7.666  1.00 18.16           N  
-ATOM  23422  CA  SER O  30      82.435   0.768   6.961  1.00 19.21           C  
-ATOM  23423  C   SER O  30      83.249   1.826   7.666  1.00 19.76           C  
-ATOM  23424  O   SER O  30      82.714   2.894   7.997  1.00 19.59           O  
-ATOM  23425  CB  SER O  30      82.242   1.195   5.517  1.00 18.65           C  
-ATOM  23426  OG  SER O  30      81.518   0.210   4.804  1.00 21.21           O  
-ATOM  23427  N   VAL O  31      84.532   1.513   7.886  1.00 19.99           N  
-ATOM  23428  CA  VAL O  31      85.460   2.375   8.589  1.00 20.74           C  
-ATOM  23429  C   VAL O  31      86.729   2.462   7.777  1.00 21.26           C  
-ATOM  23430  O   VAL O  31      87.187   1.482   7.167  1.00 20.94           O  
-ATOM  23431  CB  VAL O  31      85.883   1.907   9.977  1.00 21.36           C  
-ATOM  23432  CG1 VAL O  31      86.199   3.165  10.875  1.00 21.47           C  
-ATOM  23433  CG2 VAL O  31      84.836   1.037  10.668  1.00 22.36           C  
-ATOM  23434  N   SER O  32      87.308   3.652   7.812  1.00 21.46           N  
-ATOM  23435  CA  SER O  32      88.498   3.975   7.061  1.00 22.81           C  
-ATOM  23436  C   SER O  32      89.108   5.162   7.784  1.00 22.66           C  
-ATOM  23437  O   SER O  32      88.394   6.098   8.194  1.00 22.86           O  
-ATOM  23438  CB  SER O  32      88.099   4.323   5.622  1.00 22.81           C  
-ATOM  23439  OG  SER O  32      89.155   4.877   4.887  1.00 27.42           O  
-ATOM  23440  N   LEU O  33      90.411   5.087   8.039  1.00 22.38           N  
-ATOM  23441  CA  LEU O  33      91.104   6.184   8.734  1.00 21.76           C  
-ATOM  23442  C   LEU O  33      91.891   6.959   7.697  1.00 21.67           C  
-ATOM  23443  O   LEU O  33      92.677   6.379   6.940  1.00 21.73           O  
-ATOM  23444  CB  LEU O  33      92.011   5.660   9.855  1.00 21.24           C  
-ATOM  23445  CG  LEU O  33      91.426   4.724  10.920  1.00 21.24           C  
-ATOM  23446  CD1 LEU O  33      92.419   4.536  12.024  1.00 19.62           C  
-ATOM  23447  CD2 LEU O  33      90.135   5.220  11.521  1.00 21.11           C  
-ATOM  23448  N   LYS O  34      91.667   8.271   7.623  1.00 21.14           N  
-ATOM  23449  CA  LYS O  34      92.493   9.091   6.741  1.00 20.46           C  
-ATOM  23450  C   LYS O  34      93.455   9.867   7.596  1.00 19.81           C  
-ATOM  23451  O   LYS O  34      93.065  10.849   8.265  1.00 19.65           O  
-ATOM  23452  CB  LYS O  34      91.654  10.066   5.914  1.00 21.17           C  
-ATOM  23453  CG  LYS O  34      90.382   9.460   5.338  1.00 23.39           C  
-ATOM  23454  CD  LYS O  34      90.680   8.668   4.069  1.00 27.25           C  
-ATOM  23455  CE  LYS O  34      89.509   7.805   3.716  1.00 30.30           C  
-ATOM  23456  NZ  LYS O  34      89.799   6.943   2.531  1.00 33.51           N  
-ATOM  23457  N   PHE O  35      94.712   9.456   7.573  1.00 18.29           N  
-ATOM  23458  CA  PHE O  35      95.702  10.069   8.448  1.00 17.57           C  
-ATOM  23459  C   PHE O  35      96.064  11.482   7.999  1.00 17.11           C  
-ATOM  23460  O   PHE O  35      96.299  11.735   6.802  1.00 16.61           O  
-ATOM  23461  CB  PHE O  35      96.927   9.151   8.555  1.00 17.40           C  
-ATOM  23462  CG  PHE O  35      96.642   7.886   9.269  1.00 17.24           C  
-ATOM  23463  CD1 PHE O  35      96.578   7.860  10.661  1.00 17.98           C  
-ATOM  23464  CD2 PHE O  35      96.410   6.709   8.560  1.00 18.52           C  
-ATOM  23465  CE1 PHE O  35      96.287   6.669  11.356  1.00 19.14           C  
-ATOM  23466  CE2 PHE O  35      96.116   5.501   9.237  1.00 17.98           C  
-ATOM  23467  CZ  PHE O  35      96.049   5.487  10.642  1.00 18.10           C  
-ATOM  23468  N   ILE O  36      96.081  12.403   8.963  1.00 16.49           N  
-ATOM  23469  CA  ILE O  36      96.351  13.805   8.673  1.00 16.28           C  
-ATOM  23470  C   ILE O  36      97.702  14.225   9.232  1.00 16.51           C  
-ATOM  23471  O   ILE O  36      98.456  14.959   8.599  1.00 15.89           O  
-ATOM  23472  CB  ILE O  36      95.199  14.694   9.238  1.00 16.14           C  
-ATOM  23473  CG1 ILE O  36      93.841  14.082   8.876  1.00 15.47           C  
-ATOM  23474  CG2 ILE O  36      95.349  16.157   8.767  1.00 14.97           C  
-ATOM  23475  CD1 ILE O  36      93.551  13.978   7.359  1.00 14.06           C  
-ATOM  23476  N   ASN O  37      98.001  13.739  10.424  1.00 17.07           N  
-ATOM  23477  CA  ASN O  37      99.232  14.085  11.114  1.00 18.05           C  
-ATOM  23478  C   ASN O  37      99.652  13.078  12.152  1.00 18.68           C  
-ATOM  23479  O   ASN O  37      98.823  12.373  12.739  1.00 18.86           O  
-ATOM  23480  CB  ASN O  37      99.142  15.447  11.783  1.00 17.88           C  
-ATOM  23481  CG  ASN O  37     100.280  16.340  11.378  1.00 20.10           C  
-ATOM  23482  OD1 ASN O  37     101.505  15.971  11.487  1.00 19.87           O  
-ATOM  23483  ND2 ASN O  37      99.919  17.485  10.846  1.00 16.35           N  
-ATOM  23484  N   ILE O  38     100.963  13.000  12.353  1.00 19.19           N  
-ATOM  23485  CA  ILE O  38     101.545  12.188  13.391  1.00 19.54           C  
-ATOM  23486  C   ILE O  38     102.359  13.171  14.204  1.00 20.31           C  
-ATOM  23487  O   ILE O  38     103.354  13.732  13.723  1.00 20.51           O  
-ATOM  23488  CB  ILE O  38     102.442  11.083  12.804  1.00 19.72           C  
-ATOM  23489  CG1 ILE O  38     101.625  10.082  11.982  1.00 19.58           C  
-ATOM  23490  CG2 ILE O  38     103.138  10.371  13.921  1.00 19.49           C  
-ATOM  23491  CD1 ILE O  38     102.444   9.304  10.963  1.00 19.92           C  
-ATOM  23492  N   LEU O  39     101.938  13.379  15.441  1.00 21.13           N  
-ATOM  23493  CA  LEU O  39     102.371  14.532  16.218  1.00 21.80           C  
-ATOM  23494  C   LEU O  39     103.489  14.241  17.166  1.00 22.44           C  
-ATOM  23495  O   LEU O  39     104.292  15.122  17.491  1.00 23.24           O  
-ATOM  23496  CB  LEU O  39     101.194  15.073  17.007  1.00 21.76           C  
-ATOM  23497  CG  LEU O  39     100.030  15.453  16.085  1.00 23.06           C  
-ATOM  23498  CD1 LEU O  39      98.840  15.794  16.905  1.00 23.80           C  
-ATOM  23499  CD2 LEU O  39     100.419  16.629  15.165  1.00 23.26           C  
-ATOM  23500  N   GLU O  40     103.526  13.006  17.633  1.00 22.71           N  
-ATOM  23501  CA  GLU O  40     104.545  12.581  18.568  1.00 23.05           C  
-ATOM  23502  C   GLU O  40     104.671  11.073  18.481  1.00 22.14           C  
-ATOM  23503  O   GLU O  40     103.672  10.377  18.340  1.00 22.66           O  
-ATOM  23504  CB  GLU O  40     104.167  12.974  19.986  1.00 23.35           C  
-ATOM  23505  CG  GLU O  40     105.289  12.722  20.979  1.00 27.02           C  
-ATOM  23506  CD  GLU O  40     104.925  13.111  22.399  1.00 31.93           C  
-ATOM  23507  OE1 GLU O  40     103.732  13.016  22.790  1.00 32.89           O  
-ATOM  23508  OE2 GLU O  40     105.863  13.514  23.124  1.00 33.43           O  
-ATOM  23509  N   VAL O  41     105.899  10.602  18.580  1.00 21.11           N  
-ATOM  23510  CA  VAL O  41     106.234   9.207  18.451  1.00 20.77           C  
-ATOM  23511  C   VAL O  41     107.295   8.983  19.510  1.00 20.35           C  
-ATOM  23512  O   VAL O  41     108.164   9.820  19.701  1.00 19.71           O  
-ATOM  23513  CB  VAL O  41     106.771   8.939  17.008  1.00 21.00           C  
-ATOM  23514  CG1 VAL O  41     107.855   7.891  16.970  1.00 20.88           C  
-ATOM  23515  CG2 VAL O  41     105.622   8.614  16.071  1.00 20.26           C  
-ATOM  23516  N   ASN O  42     107.205   7.865  20.217  1.00 20.32           N  
-ATOM  23517  CA  ASN O  42     108.179   7.517  21.251  1.00 20.51           C  
-ATOM  23518  C   ASN O  42     108.598   6.067  21.074  1.00 20.77           C  
-ATOM  23519  O   ASN O  42     107.828   5.135  21.338  1.00 20.36           O  
-ATOM  23520  CB  ASN O  42     107.609   7.788  22.652  1.00 20.45           C  
-ATOM  23521  CG  ASN O  42     108.656   7.694  23.748  1.00 20.73           C  
-ATOM  23522  OD1 ASN O  42     109.500   6.809  23.739  1.00 21.48           O  
-ATOM  23523  ND2 ASN O  42     108.584   8.587  24.706  1.00 19.18           N  
-ATOM  23524  N   GLU O  43     109.821   5.882  20.591  1.00 21.26           N  
-ATOM  23525  CA  GLU O  43     110.307   4.551  20.300  1.00 21.95           C  
-ATOM  23526  C   GLU O  43     110.600   3.732  21.573  1.00 21.86           C  
-ATOM  23527  O   GLU O  43     110.584   2.502  21.531  1.00 21.64           O  
-ATOM  23528  CB  GLU O  43     111.531   4.612  19.358  1.00 22.43           C  
-ATOM  23529  CG  GLU O  43     111.612   3.430  18.381  1.00 24.32           C  
-ATOM  23530  CD  GLU O  43     112.808   3.463  17.430  1.00 27.27           C  
-ATOM  23531  OE1 GLU O  43     113.252   4.573  17.013  1.00 28.71           O  
-ATOM  23532  OE2 GLU O  43     113.304   2.364  17.081  1.00 27.32           O  
-ATOM  23533  N   ILE O  44     110.867   4.418  22.684  1.00 21.82           N  
-ATOM  23534  CA  ILE O  44     111.106   3.764  23.973  1.00 22.06           C  
-ATOM  23535  C   ILE O  44     109.801   3.193  24.543  1.00 21.64           C  
-ATOM  23536  O   ILE O  44     109.756   2.027  24.926  1.00 21.63           O  
-ATOM  23537  CB  ILE O  44     111.779   4.734  25.006  1.00 22.30           C  
-ATOM  23538  CG1 ILE O  44     113.082   5.333  24.450  1.00 23.00           C  
-ATOM  23539  CG2 ILE O  44     112.000   4.031  26.363  1.00 22.61           C  
-ATOM  23540  CD1 ILE O  44     114.168   4.313  24.043  1.00 24.04           C  
-ATOM  23541  N   THR O  45     108.748   4.009  24.574  1.00 20.92           N  
-ATOM  23542  CA  THR O  45     107.480   3.596  25.181  1.00 20.46           C  
-ATOM  23543  C   THR O  45     106.523   2.916  24.215  1.00 19.90           C  
-ATOM  23544  O   THR O  45     105.507   2.374  24.653  1.00 19.85           O  
-ATOM  23545  CB  THR O  45     106.762   4.785  25.856  1.00 20.42           C  
-ATOM  23546  OG1 THR O  45     106.427   5.752  24.865  1.00 20.51           O  
-ATOM  23547  CG2 THR O  45     107.708   5.535  26.794  1.00 20.18           C  
-ATOM  23548  N   ASN O  46     106.853   2.940  22.921  1.00 19.44           N  
-ATOM  23549  CA  ASN O  46     105.985   2.420  21.846  1.00 18.79           C  
-ATOM  23550  C   ASN O  46     104.623   3.087  21.848  1.00 18.90           C  
-ATOM  23551  O   ASN O  46     103.577   2.414  21.925  1.00 18.44           O  
-ATOM  23552  CB  ASN O  46     105.832   0.891  21.906  1.00 18.44           C  
-ATOM  23553  CG  ASN O  46     106.921   0.154  21.103  1.00 18.46           C  
-ATOM  23554  OD1 ASN O  46     107.359   0.612  20.022  1.00 17.38           O  
-ATOM  23555  ND2 ASN O  46     107.354  -0.985  21.623  1.00 15.44           N  
-ATOM  23556  N   GLU O  47     104.641   4.414  21.788  1.00 18.95           N  
-ATOM  23557  CA  GLU O  47     103.424   5.205  21.844  1.00 19.48           C  
-ATOM  23558  C   GLU O  47     103.451   6.229  20.716  1.00 19.74           C  
-ATOM  23559  O   GLU O  47     104.525   6.755  20.378  1.00 19.37           O  
-ATOM  23560  CB  GLU O  47     103.298   5.896  23.209  1.00 19.59           C  
-ATOM  23561  CG  GLU O  47     102.952   4.945  24.353  1.00 21.49           C  
-ATOM  23562  CD  GLU O  47     103.000   5.586  25.735  1.00 25.94           C  
-ATOM  23563  OE1 GLU O  47     102.821   6.835  25.848  1.00 28.06           O  
-ATOM  23564  OE2 GLU O  47     103.212   4.825  26.722  1.00 27.97           O  
-ATOM  23565  N   VAL O  48     102.283   6.473  20.117  1.00 19.50           N  
-ATOM  23566  CA  VAL O  48     102.143   7.451  19.032  1.00 20.09           C  
-ATOM  23567  C   VAL O  48     100.909   8.333  19.228  1.00 20.31           C  
-ATOM  23568  O   VAL O  48      99.868   7.857  19.694  1.00 19.97           O  
-ATOM  23569  CB  VAL O  48     102.113   6.799  17.608  1.00 20.07           C  
-ATOM  23570  CG1 VAL O  48     103.321   5.933  17.370  1.00 20.62           C  
-ATOM  23571  CG2 VAL O  48     100.898   5.958  17.417  1.00 20.83           C  
-ATOM  23572  N   ASP O  49     101.032   9.612  18.869  1.00 20.53           N  
-ATOM  23573  CA  ASP O  49      99.946  10.593  18.987  1.00 21.29           C  
-ATOM  23574  C   ASP O  49      99.568  10.959  17.545  1.00 20.95           C  
-ATOM  23575  O   ASP O  49     100.405  11.400  16.767  1.00 20.67           O  
-ATOM  23576  CB  ASP O  49     100.362  11.744  19.903  1.00 22.27           C  
-ATOM  23577  CG  ASP O  49      99.204  12.658  20.253  1.00 25.09           C  
-ATOM  23578  OD1 ASP O  49      98.194  12.644  19.520  1.00 28.67           O  
-ATOM  23579  OD2 ASP O  49      99.306  13.386  21.261  1.00 28.95           O  
-ATOM  23580  N   VAL O  50      98.322  10.716  17.157  1.00 20.70           N  
-ATOM  23581  CA  VAL O  50      97.954  10.805  15.744  1.00 20.52           C  
-ATOM  23582  C   VAL O  50      96.676  11.623  15.571  1.00 19.62           C  
-ATOM  23583  O   VAL O  50      95.822  11.633  16.461  1.00 18.82           O  
-ATOM  23584  CB  VAL O  50      97.773   9.376  15.119  1.00 20.83           C  
-ATOM  23585  CG1 VAL O  50      97.355   9.478  13.686  1.00 22.59           C  
-ATOM  23586  CG2 VAL O  50      99.077   8.581  15.174  1.00 22.15           C  
-ATOM  23587  N   VAL O  51      96.554  12.298  14.424  1.00 18.59           N  
-ATOM  23588  CA  VAL O  51      95.297  12.898  14.008  1.00 17.30           C  
-ATOM  23589  C   VAL O  51      94.831  12.255  12.714  1.00 16.92           C  
-ATOM  23590  O   VAL O  51      95.583  12.187  11.751  1.00 16.41           O  
-ATOM  23591  CB  VAL O  51      95.413  14.392  13.767  1.00 17.79           C  
-ATOM  23592  CG1 VAL O  51      94.061  14.958  13.282  1.00 17.20           C  
-ATOM  23593  CG2 VAL O  51      95.930  15.108  14.998  1.00 17.29           C  
-ATOM  23594  N   PHE O  52      93.572  11.830  12.704  1.00 15.49           N  
-ATOM  23595  CA  PHE O  52      92.983  11.142  11.580  1.00 15.16           C  
-ATOM  23596  C   PHE O  52      91.492  11.491  11.419  1.00 15.49           C  
-ATOM  23597  O   PHE O  52      90.807  11.766  12.393  1.00 15.42           O  
-ATOM  23598  CB  PHE O  52      93.204   9.617  11.708  1.00 13.78           C  
-ATOM  23599  CG  PHE O  52      92.722   9.029  13.009  1.00 11.62           C  
-ATOM  23600  CD1 PHE O  52      93.516   9.051  14.134  1.00 11.64           C  
-ATOM  23601  CD2 PHE O  52      91.453   8.506  13.116  1.00  8.61           C  
-ATOM  23602  CE1 PHE O  52      93.049   8.510  15.356  1.00 14.43           C  
-ATOM  23603  CE2 PHE O  52      90.957   7.973  14.318  1.00  7.59           C  
-ATOM  23604  CZ  PHE O  52      91.754   7.950  15.438  1.00 10.63           C  
-ATOM  23605  N   TRP O  53      91.013  11.494  10.183  1.00 16.08           N  
-ATOM  23606  CA  TRP O  53      89.582  11.540   9.917  1.00 17.24           C  
-ATOM  23607  C   TRP O  53      89.028  10.087   9.921  1.00 17.84           C  
-ATOM  23608  O   TRP O  53      89.461   9.267   9.147  1.00 17.59           O  
-ATOM  23609  CB  TRP O  53      89.303  12.189   8.555  1.00 16.53           C  
-ATOM  23610  CG  TRP O  53      89.825  13.561   8.418  1.00 16.51           C  
-ATOM  23611  CD1 TRP O  53      90.259  14.384   9.424  1.00 16.44           C  
-ATOM  23612  CD2 TRP O  53      89.977  14.303   7.204  1.00 16.47           C  
-ATOM  23613  NE1 TRP O  53      90.674  15.584   8.907  1.00 17.04           N  
-ATOM  23614  CE2 TRP O  53      90.513  15.560   7.546  1.00 17.18           C  
-ATOM  23615  CE3 TRP O  53      89.721  14.029   5.856  1.00 18.27           C  
-ATOM  23616  CZ2 TRP O  53      90.801  16.543   6.585  1.00 18.90           C  
-ATOM  23617  CZ3 TRP O  53      89.993  14.980   4.916  1.00 19.25           C  
-ATOM  23618  CH2 TRP O  53      90.523  16.234   5.279  1.00 19.51           C  
-ATOM  23619  N   GLN O  54      88.085   9.808  10.811  1.00 18.64           N  
-ATOM  23620  CA  GLN O  54      87.517   8.458  10.922  1.00 19.79           C  
-ATOM  23621  C   GLN O  54      86.250   8.362  10.097  1.00 19.43           C  
-ATOM  23622  O   GLN O  54      85.149   8.573  10.599  1.00 19.50           O  
-ATOM  23623  CB  GLN O  54      87.251   8.123  12.381  1.00 20.13           C  
-ATOM  23624  CG  GLN O  54      86.783   6.686  12.628  1.00 23.17           C  
-ATOM  23625  CD  GLN O  54      86.819   6.328  14.081  1.00 27.67           C  
-ATOM  23626  OE1 GLN O  54      87.886   6.302  14.691  1.00 29.25           O  
-ATOM  23627  NE2 GLN O  54      85.655   6.053  14.649  1.00 29.70           N  
-ATOM  23628  N   GLN O  55      86.426   8.072   8.814  1.00 19.56           N  
-ATOM  23629  CA  GLN O  55      85.322   7.963   7.882  1.00 19.99           C  
-ATOM  23630  C   GLN O  55      84.473   6.730   8.203  1.00 20.08           C  
-ATOM  23631  O   GLN O  55      84.919   5.590   8.027  1.00 19.39           O  
-ATOM  23632  CB  GLN O  55      85.820   7.920   6.438  1.00 19.83           C  
-ATOM  23633  CG  GLN O  55      84.699   7.782   5.427  1.00 21.71           C  
-ATOM  23634  CD  GLN O  55      85.188   7.657   3.992  1.00 26.40           C  
-ATOM  23635  OE1 GLN O  55      86.350   7.899   3.705  1.00 28.53           O  
-ATOM  23636  NE2 GLN O  55      84.288   7.298   3.083  1.00 26.75           N  
-ATOM  23637  N   THR O  56      83.251   6.992   8.658  1.00 19.60           N  
-ATOM  23638  CA  THR O  56      82.347   5.958   9.145  1.00 19.77           C  
-ATOM  23639  C   THR O  56      81.015   6.049   8.432  1.00 19.75           C  
-ATOM  23640  O   THR O  56      80.356   7.107   8.392  1.00 19.51           O  
-ATOM  23641  CB  THR O  56      82.099   6.135  10.641  1.00 20.52           C  
-ATOM  23642  OG1 THR O  56      83.323   6.472  11.299  1.00 22.36           O  
-ATOM  23643  CG2 THR O  56      81.672   4.821  11.303  1.00 20.24           C  
-ATOM  23644  N   THR O  57      80.603   4.910   7.923  1.00 19.38           N  
-ATOM  23645  CA  THR O  57      79.481   4.812   7.003  1.00 19.74           C  
-ATOM  23646  C   THR O  57      78.609   3.637   7.413  1.00 18.88           C  
-ATOM  23647  O   THR O  57      79.134   2.552   7.745  1.00 18.14           O  
-ATOM  23648  CB  THR O  57      80.102   4.645   5.596  1.00 20.42           C  
-ATOM  23649  OG1 THR O  57      79.928   5.860   4.859  1.00 22.70           O  
-ATOM  23650  CG2 THR O  57      79.474   3.591   4.753  1.00 21.64           C  
-ATOM  23651  N   TRP O  58      77.287   3.864   7.398  1.00 17.91           N  
-ATOM  23652  CA  TRP O  58      76.281   2.820   7.633  1.00 17.66           C  
-ATOM  23653  C   TRP O  58      74.929   3.273   7.162  1.00 17.79           C  
-ATOM  23654  O   TRP O  58      74.718   4.462   6.839  1.00 18.21           O  
-ATOM  23655  CB  TRP O  58      76.202   2.413   9.107  1.00 16.70           C  
-ATOM  23656  CG  TRP O  58      75.627   3.477   9.953  1.00 17.07           C  
-ATOM  23657  CD1 TRP O  58      74.313   3.591  10.356  1.00 16.69           C  
-ATOM  23658  CD2 TRP O  58      76.313   4.612  10.509  1.00 15.48           C  
-ATOM  23659  NE1 TRP O  58      74.158   4.719  11.121  1.00 16.10           N  
-ATOM  23660  CE2 TRP O  58      75.359   5.367  11.233  1.00 13.98           C  
-ATOM  23661  CE3 TRP O  58      77.645   5.068  10.477  1.00 14.64           C  
-ATOM  23662  CZ2 TRP O  58      75.682   6.536  11.917  1.00 14.49           C  
-ATOM  23663  CZ3 TRP O  58      77.971   6.262  11.156  1.00 13.94           C  
-ATOM  23664  CH2 TRP O  58      76.994   6.975  11.865  1.00 15.50           C  
-ATOM  23665  N   SER O  59      74.000   2.337   7.161  1.00 17.98           N  
-ATOM  23666  CA  SER O  59      72.656   2.593   6.709  1.00 19.29           C  
-ATOM  23667  C   SER O  59      71.642   2.536   7.872  1.00 19.11           C  
-ATOM  23668  O   SER O  59      71.650   1.599   8.687  1.00 18.81           O  
-ATOM  23669  CB  SER O  59      72.293   1.598   5.611  1.00 19.16           C  
-ATOM  23670  OG  SER O  59      70.914   1.344   5.642  1.00 22.77           O  
-ATOM  23671  N   ASP O  60      70.791   3.554   7.948  1.00 19.33           N  
-ATOM  23672  CA  ASP O  60      69.692   3.546   8.909  1.00 19.88           C  
-ATOM  23673  C   ASP O  60      68.399   3.937   8.233  1.00 19.67           C  
-ATOM  23674  O   ASP O  60      68.129   5.124   8.009  1.00 18.81           O  
-ATOM  23675  CB  ASP O  60      69.973   4.493  10.069  1.00 19.95           C  
-ATOM  23676  CG  ASP O  60      68.955   4.370  11.192  1.00 22.14           C  
-ATOM  23677  OD1 ASP O  60      67.836   3.764  11.007  1.00 22.55           O  
-ATOM  23678  OD2 ASP O  60      69.203   4.822  12.324  1.00 24.41           O  
-ATOM  23679  N   ARG O  61      67.579   2.945   7.949  1.00 19.38           N  
-ATOM  23680  CA  ARG O  61      66.408   3.204   7.128  1.00 20.38           C  
-ATOM  23681  C   ARG O  61      65.274   3.899   7.850  1.00 19.48           C  
-ATOM  23682  O   ARG O  61      64.370   4.399   7.215  1.00 18.83           O  
-ATOM  23683  CB  ARG O  61      65.940   1.932   6.434  1.00 20.57           C  
-ATOM  23684  CG  ARG O  61      66.982   1.395   5.476  1.00 24.06           C  
-ATOM  23685  CD  ARG O  61      66.681   1.610   4.030  1.00 28.70           C  
-ATOM  23686  NE  ARG O  61      67.032   0.424   3.260  1.00 35.46           N  
-ATOM  23687  CZ  ARG O  61      68.282   0.046   2.948  1.00 38.30           C  
-ATOM  23688  NH1 ARG O  61      69.336   0.776   3.323  1.00 37.63           N  
-ATOM  23689  NH2 ARG O  61      68.470  -1.070   2.242  1.00 39.47           N  
-ATOM  23690  N   THR O  62      65.323   3.919   9.175  1.00 20.39           N  
-ATOM  23691  CA  THR O  62      64.339   4.668   9.936  1.00 21.11           C  
-ATOM  23692  C   THR O  62      64.528   6.190   9.711  1.00 20.85           C  
-ATOM  23693  O   THR O  62      63.626   6.981   9.990  1.00 20.77           O  
-ATOM  23694  CB  THR O  62      64.377   4.315  11.438  1.00 21.39           C  
-ATOM  23695  OG1 THR O  62      65.655   4.652  11.980  1.00 22.98           O  
-ATOM  23696  CG2 THR O  62      64.335   2.797  11.659  1.00 22.25           C  
-ATOM  23697  N   LEU O  63      65.676   6.585   9.162  1.00 20.13           N  
-ATOM  23698  CA  LEU O  63      65.936   7.990   8.847  1.00 19.86           C  
-ATOM  23699  C   LEU O  63      65.422   8.400   7.487  1.00 19.62           C  
-ATOM  23700  O   LEU O  63      65.339   9.600   7.219  1.00 19.88           O  
-ATOM  23701  CB  LEU O  63      67.427   8.305   8.907  1.00 19.25           C  
-ATOM  23702  CG  LEU O  63      68.153   7.959  10.192  1.00 20.32           C  
-ATOM  23703  CD1 LEU O  63      69.613   8.243  10.052  1.00 18.87           C  
-ATOM  23704  CD2 LEU O  63      67.547   8.686  11.349  1.00 19.79           C  
-ATOM  23705  N   ALA O  64      65.110   7.419   6.645  1.00 18.99           N  
-ATOM  23706  CA  ALA O  64      64.754   7.655   5.237  1.00 19.07           C  
-ATOM  23707  C   ALA O  64      63.526   8.529   5.060  1.00 18.97           C  
-ATOM  23708  O   ALA O  64      62.603   8.462   5.864  1.00 18.88           O  
-ATOM  23709  CB  ALA O  64      64.560   6.310   4.497  1.00 18.80           C  
-ATOM  23710  N   TRP O  65      63.527   9.343   4.010  1.00 18.76           N  
-ATOM  23711  CA  TRP O  65      62.369  10.137   3.645  1.00 18.63           C  
-ATOM  23712  C   TRP O  65      62.239  10.178   2.110  1.00 19.50           C  
-ATOM  23713  O   TRP O  65      63.218   9.953   1.390  1.00 19.17           O  
-ATOM  23714  CB  TRP O  65      62.474  11.553   4.225  1.00 17.97           C  
-ATOM  23715  CG  TRP O  65      63.556  12.413   3.615  1.00 16.43           C  
-ATOM  23716  CD1 TRP O  65      63.423  13.269   2.547  1.00 15.42           C  
-ATOM  23717  CD2 TRP O  65      64.918  12.521   4.041  1.00 13.99           C  
-ATOM  23718  NE1 TRP O  65      64.620  13.894   2.291  1.00 13.94           N  
-ATOM  23719  CE2 TRP O  65      65.557  13.441   3.188  1.00 12.97           C  
-ATOM  23720  CE3 TRP O  65      65.676  11.921   5.063  1.00 13.17           C  
-ATOM  23721  CZ2 TRP O  65      66.892  13.766   3.312  1.00 11.67           C  
-ATOM  23722  CZ3 TRP O  65      67.024  12.262   5.196  1.00 12.31           C  
-ATOM  23723  CH2 TRP O  65      67.615  13.160   4.319  1.00 12.06           C  
-ATOM  23724  N   ASN O  66      61.027  10.469   1.631  1.00 20.06           N  
-ATOM  23725  CA  ASN O  66      60.772  10.630   0.221  1.00 20.93           C  
-ATOM  23726  C   ASN O  66      61.333  11.967  -0.218  1.00 21.11           C  
-ATOM  23727  O   ASN O  66      60.750  13.032   0.039  1.00 21.10           O  
-ATOM  23728  CB  ASN O  66      59.277  10.523  -0.068  1.00 21.14           C  
-ATOM  23729  CG  ASN O  66      58.987  10.422  -1.543  1.00 23.03           C  
-ATOM  23730  OD1 ASN O  66      59.752  10.940  -2.358  1.00 23.44           O  
-ATOM  23731  ND2 ASN O  66      57.867   9.756  -1.908  1.00 25.24           N  
-ATOM  23732  N   SER O  67      62.504  11.884  -0.831  1.00 22.45           N  
-ATOM  23733  CA  SER O  67      63.168  13.037  -1.413  1.00 23.37           C  
-ATOM  23734  C   SER O  67      62.911  13.088  -2.928  1.00 23.77           C  
-ATOM  23735  O   SER O  67      63.768  13.542  -3.700  1.00 24.31           O  
-ATOM  23736  CB  SER O  67      64.670  12.967  -1.132  1.00 23.06           C  
-ATOM  23737  OG  SER O  67      65.215  11.828  -1.780  1.00 23.03           O  
-ATOM  23738  N   SER O  68      61.735  12.626  -3.351  1.00 24.41           N  
-ATOM  23739  CA  SER O  68      61.330  12.765  -4.747  1.00 24.46           C  
-ATOM  23740  C   SER O  68      60.874  14.209  -5.022  1.00 24.96           C  
-ATOM  23741  O   SER O  68      60.829  14.631  -6.186  1.00 25.35           O  
-ATOM  23742  CB  SER O  68      60.274  11.716  -5.153  1.00 24.54           C  
-ATOM  23743  OG  SER O  68      59.003  11.965  -4.564  1.00 23.77           O  
-ATOM  23744  N   HIS O  69      60.536  14.953  -3.958  1.00 25.05           N  
-ATOM  23745  CA  HIS O  69      60.300  16.404  -4.040  1.00 24.86           C  
-ATOM  23746  C   HIS O  69      60.929  17.184  -2.863  1.00 24.05           C  
-ATOM  23747  O   HIS O  69      60.245  18.001  -2.243  1.00 24.52           O  
-ATOM  23748  CB  HIS O  69      58.795  16.720  -4.085  1.00 25.07           C  
-ATOM  23749  CG  HIS O  69      58.052  16.038  -5.192  1.00 27.09           C  
-ATOM  23750  ND1 HIS O  69      57.776  14.686  -5.185  1.00 28.97           N  
-ATOM  23751  CD2 HIS O  69      57.494  16.530  -6.325  1.00 27.95           C  
-ATOM  23752  CE1 HIS O  69      57.095  14.372  -6.275  1.00 28.67           C  
-ATOM  23753  NE2 HIS O  69      56.916  15.472  -6.985  1.00 28.52           N  
-ATOM  23754  N   SER O  70      62.215  16.976  -2.576  1.00 22.63           N  
-ATOM  23755  CA  SER O  70      62.847  17.562  -1.380  1.00 22.17           C  
-ATOM  23756  C   SER O  70      64.371  17.461  -1.434  1.00 21.87           C  
-ATOM  23757  O   SER O  70      64.896  16.683  -2.241  1.00 21.67           O  
-ATOM  23758  CB  SER O  70      62.340  16.824  -0.139  1.00 22.15           C  
-ATOM  23759  OG  SER O  70      60.906  16.845  -0.096  1.00 22.76           O  
-ATOM  23760  N   PRO O  71      65.087  18.233  -0.602  1.00 21.53           N  
-ATOM  23761  CA  PRO O  71      66.529  18.035  -0.449  1.00 21.31           C  
-ATOM  23762  C   PRO O  71      66.786  16.565  -0.133  1.00 21.10           C  
-ATOM  23763  O   PRO O  71      65.993  15.940   0.609  1.00 20.54           O  
-ATOM  23764  CB  PRO O  71      66.872  18.887   0.773  1.00 21.33           C  
-ATOM  23765  CG  PRO O  71      65.851  19.974   0.763  1.00 21.66           C  
-ATOM  23766  CD  PRO O  71      64.601  19.364   0.216  1.00 21.63           C  
-ATOM  23767  N   ASP O  72      67.851  16.006  -0.696  1.00 20.77           N  
-ATOM  23768  CA  ASP O  72      68.083  14.586  -0.528  1.00 21.39           C  
-ATOM  23769  C   ASP O  72      69.178  14.264   0.491  1.00 20.17           C  
-ATOM  23770  O   ASP O  72      69.491  13.095   0.717  1.00 20.26           O  
-ATOM  23771  CB  ASP O  72      68.315  13.908  -1.893  1.00 22.65           C  
-ATOM  23772  CG  ASP O  72      69.746  14.060  -2.392  1.00 26.35           C  
-ATOM  23773  OD1 ASP O  72      70.285  15.182  -2.333  1.00 29.97           O  
-ATOM  23774  OD2 ASP O  72      70.425  13.108  -2.843  1.00 31.55           O  
-ATOM  23775  N   GLN O  73      69.739  15.308   1.103  1.00 18.90           N  
-ATOM  23776  CA  GLN O  73      70.750  15.195   2.157  1.00 17.78           C  
-ATOM  23777  C   GLN O  73      70.630  16.335   3.169  1.00 16.38           C  
-ATOM  23778  O   GLN O  73      70.358  17.478   2.788  1.00 15.93           O  
-ATOM  23779  CB  GLN O  73      72.148  15.275   1.567  1.00 17.93           C  
-ATOM  23780  CG  GLN O  73      72.618  14.076   0.846  1.00 20.69           C  
-ATOM  23781  CD  GLN O  73      74.084  14.175   0.526  1.00 22.65           C  
-ATOM  23782  OE1 GLN O  73      74.879  14.629   1.370  1.00 24.41           O  
-ATOM  23783  NE2 GLN O  73      74.460  13.750  -0.675  1.00 20.01           N  
-ATOM  23784  N   VAL O  74      70.877  16.029   4.430  1.00 14.94           N  
-ATOM  23785  CA  VAL O  74      70.964  17.021   5.490  1.00 14.50           C  
-ATOM  23786  C   VAL O  74      72.134  16.699   6.441  1.00 14.90           C  
-ATOM  23787  O   VAL O  74      72.605  15.562   6.470  1.00 13.91           O  
-ATOM  23788  CB  VAL O  74      69.654  17.104   6.320  1.00 14.59           C  
-ATOM  23789  CG1 VAL O  74      68.520  17.694   5.493  1.00 13.64           C  
-ATOM  23790  CG2 VAL O  74      69.272  15.766   6.932  1.00 12.42           C  
-ATOM  23791  N   SER O  75      72.583  17.713   7.194  1.00 14.57           N  
-ATOM  23792  CA  SER O  75      73.530  17.528   8.303  1.00 15.25           C  
-ATOM  23793  C   SER O  75      72.754  17.419   9.596  1.00 15.57           C  
-ATOM  23794  O   SER O  75      71.853  18.204   9.848  1.00 16.04           O  
-ATOM  23795  CB  SER O  75      74.549  18.689   8.413  1.00 15.16           C  
-ATOM  23796  OG  SER O  75      75.360  18.755   7.263  1.00 14.51           O  
-ATOM  23797  N   VAL O  76      73.108  16.444  10.422  1.00 16.03           N  
-ATOM  23798  CA  VAL O  76      72.318  16.094  11.613  1.00 15.82           C  
-ATOM  23799  C   VAL O  76      73.282  15.921  12.773  1.00 16.29           C  
-ATOM  23800  O   VAL O  76      74.259  15.229  12.623  1.00 15.61           O  
-ATOM  23801  CB  VAL O  76      71.563  14.780  11.397  1.00 16.36           C  
-ATOM  23802  CG1 VAL O  76      70.649  14.453  12.593  1.00 15.16           C  
-ATOM  23803  CG2 VAL O  76      70.819  14.773  10.047  1.00 14.50           C  
-ATOM  23804  N   PRO O  77      73.052  16.600  13.904  1.00 17.25           N  
-ATOM  23805  CA  PRO O  77      73.899  16.427  15.097  1.00 17.16           C  
-ATOM  23806  C   PRO O  77      73.893  14.931  15.465  1.00 17.26           C  
-ATOM  23807  O   PRO O  77      72.814  14.365  15.444  1.00 16.83           O  
-ATOM  23808  CB  PRO O  77      73.168  17.211  16.198  1.00 16.98           C  
-ATOM  23809  CG  PRO O  77      72.143  17.967  15.564  1.00 18.20           C  
-ATOM  23810  CD  PRO O  77      71.964  17.566  14.109  1.00 17.08           C  
-ATOM  23811  N   ILE O  78      75.029  14.333  15.818  1.00 17.81           N  
-ATOM  23812  CA  ILE O  78      75.018  12.875  16.090  1.00 19.45           C  
-ATOM  23813  C   ILE O  78      74.167  12.495  17.327  1.00 20.19           C  
-ATOM  23814  O   ILE O  78      73.765  11.341  17.467  1.00 20.22           O  
-ATOM  23815  CB  ILE O  78      76.419  12.294  16.190  1.00 19.75           C  
-ATOM  23816  CG1 ILE O  78      77.171  12.926  17.382  1.00 20.58           C  
-ATOM  23817  CG2 ILE O  78      77.131  12.441  14.887  1.00 18.59           C  
-ATOM  23818  CD1 ILE O  78      78.396  12.101  17.848  1.00 23.44           C  
-ATOM  23819  N   SER O  79      73.872  13.476  18.199  1.00 20.16           N  
-ATOM  23820  CA  SER O  79      73.009  13.230  19.348  1.00 21.14           C  
-ATOM  23821  C   SER O  79      71.575  12.868  18.913  1.00 20.93           C  
-ATOM  23822  O   SER O  79      70.829  12.277  19.661  1.00 20.69           O  
-ATOM  23823  CB  SER O  79      72.999  14.452  20.273  1.00 21.95           C  
-ATOM  23824  OG  SER O  79      72.326  15.555  19.646  1.00 24.36           O  
-ATOM  23825  N   SER O  80      71.194  13.222  17.689  1.00 20.58           N  
-ATOM  23826  CA  SER O  80      69.909  12.795  17.176  1.00 20.98           C  
-ATOM  23827  C   SER O  80      69.937  11.439  16.444  1.00 20.55           C  
-ATOM  23828  O   SER O  80      68.903  10.976  15.992  1.00 21.08           O  
-ATOM  23829  CB  SER O  80      69.336  13.862  16.273  1.00 20.90           C  
-ATOM  23830  OG  SER O  80      68.908  14.979  17.054  1.00 24.46           O  
-ATOM  23831  N   LEU O  81      71.106  10.818  16.319  1.00 19.54           N  
-ATOM  23832  CA  LEU O  81      71.241   9.632  15.492  1.00 19.70           C  
-ATOM  23833  C   LEU O  81      71.811   8.477  16.306  1.00 18.67           C  
-ATOM  23834  O   LEU O  81      72.626   8.689  17.196  1.00 17.72           O  
-ATOM  23835  CB  LEU O  81      72.247   9.884  14.352  1.00 20.35           C  
-ATOM  23836  CG  LEU O  81      71.985  10.905  13.268  1.00 21.78           C  
-ATOM  23837  CD1 LEU O  81      73.065  10.804  12.262  1.00 22.64           C  
-ATOM  23838  CD2 LEU O  81      70.683  10.626  12.600  1.00 24.45           C  
-ATOM  23839  N   TRP O  82      71.452   7.249  15.949  1.00 17.99           N  
-ATOM  23840  CA  TRP O  82      72.256   6.103  16.401  1.00 17.48           C  
-ATOM  23841  C   TRP O  82      73.564   6.114  15.673  1.00 17.39           C  
-ATOM  23842  O   TRP O  82      73.616   6.330  14.478  1.00 17.76           O  
-ATOM  23843  CB  TRP O  82      71.588   4.776  16.138  1.00 16.67           C  
-ATOM  23844  CG  TRP O  82      72.465   3.594  16.532  1.00 17.08           C  
-ATOM  23845  CD1 TRP O  82      72.543   3.004  17.764  1.00 15.96           C  
-ATOM  23846  CD2 TRP O  82      73.364   2.880  15.687  1.00 16.00           C  
-ATOM  23847  NE1 TRP O  82      73.417   1.942  17.738  1.00 16.56           N  
-ATOM  23848  CE2 TRP O  82      73.938   1.835  16.470  1.00 17.51           C  
-ATOM  23849  CE3 TRP O  82      73.750   3.002  14.334  1.00 15.28           C  
-ATOM  23850  CZ2 TRP O  82      74.878   0.921  15.949  1.00 14.83           C  
-ATOM  23851  CZ3 TRP O  82      74.680   2.060  13.805  1.00 15.52           C  
-ATOM  23852  CH2 TRP O  82      75.220   1.043  14.618  1.00 15.74           C  
-ATOM  23853  N   VAL O  83      74.623   5.852  16.403  1.00 17.78           N  
-ATOM  23854  CA  VAL O  83      75.985   5.894  15.856  1.00 18.71           C  
-ATOM  23855  C   VAL O  83      76.683   4.647  16.364  1.00 18.29           C  
-ATOM  23856  O   VAL O  83      76.434   4.255  17.498  1.00 18.10           O  
-ATOM  23857  CB  VAL O  83      76.700   7.213  16.346  1.00 18.92           C  
-ATOM  23858  CG1 VAL O  83      78.195   7.121  16.208  1.00 20.83           C  
-ATOM  23859  CG2 VAL O  83      76.162   8.393  15.563  1.00 19.19           C  
-ATOM  23860  N   PRO O  84      77.481   3.972  15.536  1.00 18.65           N  
-ATOM  23861  CA  PRO O  84      78.134   2.717  15.990  1.00 18.69           C  
-ATOM  23862  C   PRO O  84      79.098   2.977  17.163  1.00 18.17           C  
-ATOM  23863  O   PRO O  84      79.796   3.986  17.182  1.00 17.77           O  
-ATOM  23864  CB  PRO O  84      78.874   2.199  14.750  1.00 18.54           C  
-ATOM  23865  CG  PRO O  84      78.608   3.164  13.663  1.00 19.48           C  
-ATOM  23866  CD  PRO O  84      77.752   4.277  14.124  1.00 18.67           C  
-ATOM  23867  N   ASP O  85      79.097   2.087  18.146  1.00 17.62           N  
-ATOM  23868  CA  ASP O  85      79.891   2.255  19.354  1.00 17.21           C  
-ATOM  23869  C   ASP O  85      81.330   1.785  19.107  1.00 17.51           C  
-ATOM  23870  O   ASP O  85      81.838   0.896  19.819  1.00 17.60           O  
-ATOM  23871  CB  ASP O  85      79.253   1.508  20.532  1.00 17.06           C  
-ATOM  23872  CG  ASP O  85      79.161  -0.013  20.292  1.00 19.18           C  
-ATOM  23873  OD1 ASP O  85      79.072  -0.431  19.105  1.00 18.83           O  
-ATOM  23874  OD2 ASP O  85      79.188  -0.854  21.219  1.00 19.80           O  
-ATOM  23875  N   LEU O  86      81.984   2.359  18.086  1.00 16.84           N  
-ATOM  23876  CA  LEU O  86      83.347   1.977  17.744  1.00 17.27           C  
-ATOM  23877  C   LEU O  86      84.383   2.390  18.805  1.00 17.61           C  
-ATOM  23878  O   LEU O  86      84.303   3.477  19.403  1.00 17.60           O  
-ATOM  23879  CB  LEU O  86      83.755   2.509  16.367  1.00 16.90           C  
-ATOM  23880  CG  LEU O  86      82.863   2.053  15.222  1.00 17.24           C  
-ATOM  23881  CD1 LEU O  86      83.332   2.690  13.976  1.00 17.27           C  
-ATOM  23882  CD2 LEU O  86      82.847   0.473  15.113  1.00 15.53           C  
-ATOM  23883  N   ALA O  87      85.340   1.499  19.060  1.00 17.02           N  
-ATOM  23884  CA  ALA O  87      86.471   1.886  19.916  1.00 17.37           C  
-ATOM  23885  C   ALA O  87      87.770   1.411  19.323  1.00 17.32           C  
-ATOM  23886  O   ALA O  87      87.789   0.389  18.632  1.00 17.39           O  
-ATOM  23887  CB  ALA O  87      86.299   1.346  21.301  1.00 16.88           C  
-ATOM  23888  N   ALA O  88      88.846   2.135  19.567  1.00 17.15           N  
-ATOM  23889  CA  ALA O  88      90.166   1.637  19.200  1.00 17.32           C  
-ATOM  23890  C   ALA O  88      90.692   0.879  20.390  1.00 17.44           C  
-ATOM  23891  O   ALA O  88      90.874   1.461  21.470  1.00 17.96           O  
-ATOM  23892  CB  ALA O  88      91.079   2.773  18.835  1.00 17.66           C  
-ATOM  23893  N   TYR O  89      90.891  -0.419  20.216  1.00 16.98           N  
-ATOM  23894  CA  TYR O  89      91.333  -1.320  21.306  1.00 17.13           C  
-ATOM  23895  C   TYR O  89      92.714  -1.018  21.900  1.00 17.17           C  
-ATOM  23896  O   TYR O  89      92.951  -1.369  23.064  1.00 17.35           O  
-ATOM  23897  CB  TYR O  89      91.367  -2.763  20.823  1.00 17.06           C  
-ATOM  23898  CG  TYR O  89      90.010  -3.455  20.758  1.00 18.15           C  
-ATOM  23899  CD1 TYR O  89      89.001  -2.986  19.916  1.00 18.81           C  
-ATOM  23900  CD2 TYR O  89      89.753  -4.590  21.520  1.00 18.73           C  
-ATOM  23901  CE1 TYR O  89      87.781  -3.600  19.837  1.00 21.44           C  
-ATOM  23902  CE2 TYR O  89      88.529  -5.238  21.446  1.00 19.69           C  
-ATOM  23903  CZ  TYR O  89      87.539  -4.734  20.606  1.00 22.63           C  
-ATOM  23904  OH  TYR O  89      86.305  -5.365  20.509  1.00 24.78           O  
-ATOM  23905  N   ASN O  90      93.625  -0.436  21.103  1.00 15.91           N  
-ATOM  23906  CA  ASN O  90      94.955  -0.087  21.609  1.00 15.84           C  
-ATOM  23907  C   ASN O  90      95.118   1.435  21.860  1.00 15.56           C  
-ATOM  23908  O   ASN O  90      96.224   1.928  21.988  1.00 15.61           O  
-ATOM  23909  CB  ASN O  90      96.077  -0.648  20.726  1.00 14.99           C  
-ATOM  23910  CG  ASN O  90      95.972  -0.195  19.259  1.00 16.45           C  
-ATOM  23911  OD1 ASN O  90      94.871  -0.127  18.674  1.00 16.46           O  
-ATOM  23912  ND2 ASN O  90      97.126   0.136  18.658  1.00 14.83           N  
-ATOM  23913  N   ALA O  91      94.005   2.161  21.950  1.00 15.23           N  
-ATOM  23914  CA  ALA O  91      94.052   3.565  22.358  1.00 15.70           C  
-ATOM  23915  C   ALA O  91      94.423   3.687  23.812  1.00 15.21           C  
-ATOM  23916  O   ALA O  91      93.945   2.937  24.636  1.00 14.84           O  
-ATOM  23917  CB  ALA O  91      92.689   4.260  22.109  1.00 15.54           C  
-ATOM  23918  N   ILE O  92      95.245   4.666  24.123  1.00 15.61           N  
-ATOM  23919  CA  ILE O  92      95.638   4.919  25.500  1.00 16.41           C  
-ATOM  23920  C   ILE O  92      95.207   6.315  25.942  1.00 17.10           C  
-ATOM  23921  O   ILE O  92      95.562   6.779  27.027  1.00 16.57           O  
-ATOM  23922  CB  ILE O  92      97.167   4.689  25.663  1.00 16.78           C  
-ATOM  23923  CG1 ILE O  92      97.966   5.581  24.697  1.00 16.48           C  
-ATOM  23924  CG2 ILE O  92      97.505   3.169  25.475  1.00 15.45           C  
-ATOM  23925  CD1 ILE O  92      99.463   5.741  25.077  1.00 16.15           C  
-ATOM  23926  N   SER O  93      94.427   6.988  25.094  1.00 17.72           N  
-ATOM  23927  CA  SER O  93      93.787   8.239  25.510  1.00 18.61           C  
-ATOM  23928  C   SER O  93      92.377   8.225  24.967  1.00 19.32           C  
-ATOM  23929  O   SER O  93      92.091   7.495  23.992  1.00 19.43           O  
-ATOM  23930  CB  SER O  93      94.567   9.447  24.994  1.00 18.60           C  
-ATOM  23931  OG  SER O  93      94.357   9.636  23.607  1.00 18.52           O  
-ATOM  23932  N   LYS O  94      91.476   8.992  25.583  1.00 20.27           N  
-ATOM  23933  CA  LYS O  94      90.083   9.070  25.066  1.00 22.25           C  
-ATOM  23934  C   LYS O  94      90.078   9.826  23.731  1.00 21.79           C  
-ATOM  23935  O   LYS O  94      90.850  10.774  23.592  1.00 23.30           O  
-ATOM  23936  CB  LYS O  94      89.084   9.597  26.135  1.00 22.67           C  
-ATOM  23937  CG  LYS O  94      88.792  11.096  26.149  1.00 26.17           C  
-ATOM  23938  CD  LYS O  94      89.019  11.737  27.548  1.00 32.69           C  
-ATOM  23939  CE  LYS O  94      88.704  13.268  27.577  1.00 33.33           C  
-ATOM  23940  NZ  LYS O  94      89.131  14.043  26.337  1.00 31.68           N  
-ATOM  23941  N   PRO O  95      89.313   9.388  22.720  1.00 21.96           N  
-ATOM  23942  CA  PRO O  95      89.405  10.039  21.403  1.00 21.39           C  
-ATOM  23943  C   PRO O  95      89.015  11.514  21.537  1.00 22.10           C  
-ATOM  23944  O   PRO O  95      87.905  11.729  22.021  1.00 23.09           O  
-ATOM  23945  CB  PRO O  95      88.337   9.340  20.558  1.00 20.72           C  
-ATOM  23946  CG  PRO O  95      87.478   8.469  21.527  1.00 21.17           C  
-ATOM  23947  CD  PRO O  95      88.309   8.305  22.754  1.00 21.30           C  
-ATOM  23948  N   GLU O  96      89.872  12.462  21.139  1.00 22.48           N  
-ATOM  23949  CA  GLU O  96      89.589  13.917  21.116  1.00 23.07           C  
-ATOM  23950  C   GLU O  96      89.012  14.270  19.728  1.00 21.85           C  
-ATOM  23951  O   GLU O  96      89.727  14.248  18.730  1.00 21.90           O  
-ATOM  23952  CB  GLU O  96      90.893  14.703  21.406  1.00 23.58           C  
-ATOM  23953  CG  GLU O  96      90.796  16.210  21.697  1.00 28.43           C  
-ATOM  23954  CD  GLU O  96      92.177  16.843  21.983  1.00 35.12           C  
-ATOM  23955  OE1 GLU O  96      93.082  16.098  22.475  1.00 38.18           O  
-ATOM  23956  OE2 GLU O  96      92.396  18.074  21.696  1.00 38.42           O  
-ATOM  23957  N   VAL O  97      87.719  14.547  19.668  1.00 20.79           N  
-ATOM  23958  CA  VAL O  97      87.058  14.981  18.445  1.00 19.81           C  
-ATOM  23959  C   VAL O  97      87.321  16.483  18.175  1.00 19.65           C  
-ATOM  23960  O   VAL O  97      86.940  17.301  18.951  1.00 18.67           O  
-ATOM  23961  CB  VAL O  97      85.548  14.745  18.513  1.00 20.05           C  
-ATOM  23962  CG1 VAL O  97      84.909  15.063  17.183  1.00 19.04           C  
-ATOM  23963  CG2 VAL O  97      85.234  13.277  18.920  1.00 18.99           C  
-ATOM  23964  N   LEU O  98      87.964  16.798  17.059  1.00 18.92           N  
-ATOM  23965  CA  LEU O  98      88.348  18.176  16.765  1.00 19.27           C  
-ATOM  23966  C   LEU O  98      87.283  18.979  15.971  1.00 18.75           C  
-ATOM  23967  O   LEU O  98      87.373  20.194  15.852  1.00 19.60           O  
-ATOM  23968  CB  LEU O  98      89.706  18.164  16.032  1.00 19.11           C  
-ATOM  23969  CG  LEU O  98      90.836  17.349  16.683  1.00 19.87           C  
-ATOM  23970  CD1 LEU O  98      92.061  17.319  15.783  1.00 19.47           C  
-ATOM  23971  CD2 LEU O  98      91.211  17.877  18.048  1.00 20.10           C  
-ATOM  23972  N   THR O  99      86.287  18.298  15.430  1.00 18.23           N  
-ATOM  23973  CA  THR O  99      85.391  18.883  14.438  1.00 18.09           C  
-ATOM  23974  C   THR O  99      83.952  18.905  14.941  1.00 18.45           C  
-ATOM  23975  O   THR O  99      83.624  18.197  15.897  1.00 18.42           O  
-ATOM  23976  CB  THR O  99      85.452  18.080  13.128  1.00 18.19           C  
-ATOM  23977  OG1 THR O  99      85.470  16.686  13.444  1.00 16.43           O  
-ATOM  23978  CG2 THR O  99      86.750  18.353  12.385  1.00 16.52           C  
-ATOM  23979  N   PRO O 100      83.097  19.732  14.324  1.00 18.90           N  
-ATOM  23980  CA  PRO O 100      81.661  19.744  14.691  1.00 18.61           C  
-ATOM  23981  C   PRO O 100      81.038  18.321  14.581  1.00 18.88           C  
-ATOM  23982  O   PRO O 100      81.224  17.626  13.587  1.00 18.59           O  
-ATOM  23983  CB  PRO O 100      81.039  20.694  13.668  1.00 18.35           C  
-ATOM  23984  CG  PRO O 100      82.153  21.574  13.202  1.00 19.15           C  
-ATOM  23985  CD  PRO O 100      83.412  20.726  13.272  1.00 18.40           C  
-ATOM  23986  N   GLN O 101      80.292  17.919  15.593  1.00 18.84           N  
-ATOM  23987  CA  GLN O 101      79.782  16.561  15.661  1.00 19.87           C  
-ATOM  23988  C   GLN O 101      78.460  16.408  14.877  1.00 19.01           C  
-ATOM  23989  O   GLN O 101      77.394  16.293  15.420  1.00 18.82           O  
-ATOM  23990  CB  GLN O 101      79.707  16.162  17.144  1.00 20.19           C  
-ATOM  23991  CG  GLN O 101      81.114  15.993  17.750  1.00 23.74           C  
-ATOM  23992  CD  GLN O 101      81.112  15.602  19.240  1.00 29.02           C  
-ATOM  23993  OE1 GLN O 101      80.407  14.670  19.655  1.00 31.58           O  
-ATOM  23994  NE2 GLN O 101      81.937  16.286  20.037  1.00 29.10           N  
-ATOM  23995  N   LEU O 102      78.571  16.473  13.567  1.00 18.65           N  
-ATOM  23996  CA  LEU O 102      77.432  16.384  12.661  1.00 18.20           C  
-ATOM  23997  C   LEU O 102      77.700  15.263  11.656  1.00 17.33           C  
-ATOM  23998  O   LEU O 102      78.810  15.126  11.117  1.00 16.68           O  
-ATOM  23999  CB  LEU O 102      77.269  17.698  11.875  1.00 17.91           C  
-ATOM  24000  CG  LEU O 102      77.098  19.024  12.613  1.00 20.78           C  
-ATOM  24001  CD1 LEU O 102      77.039  20.220  11.650  1.00 21.31           C  
-ATOM  24002  CD2 LEU O 102      75.838  19.036  13.454  1.00 20.51           C  
-ATOM  24003  N   ALA O 103      76.662  14.510  11.368  1.00 16.77           N  
-ATOM  24004  CA  ALA O 103      76.718  13.471  10.364  1.00 16.70           C  
-ATOM  24005  C   ALA O 103      75.943  13.940   9.141  1.00 16.77           C  
-ATOM  24006  O   ALA O 103      74.996  14.707   9.237  1.00 17.31           O  
-ATOM  24007  CB  ALA O 103      76.111  12.197  10.924  1.00 16.49           C  
-ATOM  24008  N   ARG O 104      76.351  13.463   7.979  1.00 16.64           N  
-ATOM  24009  CA  ARG O 104      75.603  13.681   6.754  1.00 16.51           C  
-ATOM  24010  C   ARG O 104      74.642  12.512   6.493  1.00 16.17           C  
-ATOM  24011  O   ARG O 104      75.084  11.347   6.452  1.00 15.94           O  
-ATOM  24012  CB  ARG O 104      76.589  13.853   5.614  1.00 16.40           C  
-ATOM  24013  CG  ARG O 104      76.042  14.577   4.458  1.00 18.00           C  
-ATOM  24014  CD  ARG O 104      75.716  16.089   4.717  1.00 17.79           C  
-ATOM  24015  NE  ARG O 104      75.205  16.572   3.468  1.00 16.62           N  
-ATOM  24016  CZ  ARG O 104      74.627  17.741   3.248  1.00 17.73           C  
-ATOM  24017  NH1 ARG O 104      74.491  18.658   4.229  1.00 14.09           N  
-ATOM  24018  NH2 ARG O 104      74.227  17.994   2.010  1.00 14.64           N  
-ATOM  24019  N   VAL O 105      73.340  12.811   6.351  1.00 15.48           N  
-ATOM  24020  CA  VAL O 105      72.323  11.772   6.151  1.00 14.90           C  
-ATOM  24021  C   VAL O 105      71.684  11.938   4.784  1.00 14.96           C  
-ATOM  24022  O   VAL O 105      71.194  13.014   4.461  1.00 14.94           O  
-ATOM  24023  CB  VAL O 105      71.241  11.818   7.283  1.00 15.21           C  
-ATOM  24024  CG1 VAL O 105      70.173  10.822   7.058  1.00 14.13           C  
-ATOM  24025  CG2 VAL O 105      71.880  11.652   8.690  1.00 14.76           C  
-ATOM  24026  N   VAL O 106      71.704  10.871   3.982  1.00 14.84           N  
-ATOM  24027  CA  VAL O 106      71.047  10.821   2.672  1.00 14.82           C  
-ATOM  24028  C   VAL O 106      69.584  10.345   2.799  1.00 14.91           C  
-ATOM  24029  O   VAL O 106      69.238   9.584   3.718  1.00 14.70           O  
-ATOM  24030  CB  VAL O 106      71.866   9.973   1.669  1.00 14.97           C  
-ATOM  24031  CG1 VAL O 106      71.343  10.072   0.257  1.00 13.71           C  
-ATOM  24032  CG2 VAL O 106      73.327  10.415   1.703  1.00 15.59           C  
-ATOM  24033  N   SER O 107      68.713  10.802   1.903  1.00 14.95           N  
-ATOM  24034  CA  SER O 107      67.296  10.441   2.013  1.00 15.78           C  
-ATOM  24035  C   SER O 107      66.983   8.918   1.982  1.00 16.10           C  
-ATOM  24036  O   SER O 107      65.893   8.508   2.341  1.00 15.66           O  
-ATOM  24037  CB  SER O 107      66.497  11.126   0.920  1.00 15.53           C  
-ATOM  24038  OG  SER O 107      66.773  10.531  -0.340  1.00 15.32           O  
-ATOM  24039  N   ASP O 108      67.920   8.099   1.536  1.00 16.70           N  
-ATOM  24040  CA  ASP O 108      67.680   6.656   1.565  1.00 18.21           C  
-ATOM  24041  C   ASP O 108      68.096   6.023   2.889  1.00 17.99           C  
-ATOM  24042  O   ASP O 108      67.917   4.818   3.072  1.00 17.93           O  
-ATOM  24043  CB  ASP O 108      68.339   5.947   0.370  1.00 18.69           C  
-ATOM  24044  CG  ASP O 108      69.872   6.123   0.313  1.00 21.50           C  
-ATOM  24045  OD1 ASP O 108      70.491   6.737   1.218  1.00 23.60           O  
-ATOM  24046  OD2 ASP O 108      70.553   5.650  -0.637  1.00 24.83           O  
-ATOM  24047  N   GLY O 109      68.657   6.847   3.794  1.00 17.74           N  
-ATOM  24048  CA  GLY O 109      69.067   6.413   5.112  1.00 17.42           C  
-ATOM  24049  C   GLY O 109      70.556   6.210   5.251  1.00 17.85           C  
-ATOM  24050  O   GLY O 109      71.023   5.780   6.301  1.00 17.88           O  
-ATOM  24051  N   GLU O 110      71.319   6.504   4.203  1.00 17.81           N  
-ATOM  24052  CA  GLU O 110      72.771   6.349   4.307  1.00 18.87           C  
-ATOM  24053  C   GLU O 110      73.322   7.485   5.154  1.00 18.20           C  
-ATOM  24054  O   GLU O 110      72.937   8.660   4.989  1.00 17.66           O  
-ATOM  24055  CB  GLU O 110      73.470   6.330   2.944  1.00 19.21           C  
-ATOM  24056  CG  GLU O 110      73.187   5.119   2.064  1.00 24.26           C  
-ATOM  24057  CD  GLU O 110      73.627   3.791   2.685  1.00 31.10           C  
-ATOM  24058  OE1 GLU O 110      74.791   3.650   3.142  1.00 33.27           O  
-ATOM  24059  OE2 GLU O 110      72.795   2.861   2.708  1.00 34.32           O  
-ATOM  24060  N   VAL O 111      74.210   7.121   6.055  1.00 17.23           N  
-ATOM  24061  CA  VAL O 111      74.838   8.052   6.948  1.00 16.45           C  
-ATOM  24062  C   VAL O 111      76.359   8.078   6.713  1.00 16.77           C  
-ATOM  24063  O   VAL O 111      76.984   7.037   6.507  1.00 15.79           O  
-ATOM  24064  CB  VAL O 111      74.531   7.707   8.444  1.00 16.29           C  
-ATOM  24065  CG1 VAL O 111      74.987   8.847   9.376  1.00 15.51           C  
-ATOM  24066  CG2 VAL O 111      73.075   7.426   8.648  1.00 14.27           C  
-ATOM  24067  N   LEU O 112      76.938   9.279   6.752  1.00 16.40           N  
-ATOM  24068  CA  LEU O 112      78.377   9.452   6.779  1.00 16.85           C  
-ATOM  24069  C   LEU O 112      78.732  10.356   7.961  1.00 17.21           C  
-ATOM  24070  O   LEU O 112      78.256  11.501   8.042  1.00 16.30           O  
-ATOM  24071  CB  LEU O 112      78.876  10.068   5.480  1.00 17.11           C  
-ATOM  24072  CG  LEU O 112      80.320  10.611   5.485  1.00 19.21           C  
-ATOM  24073  CD1 LEU O 112      81.354   9.505   5.640  1.00 16.49           C  
-ATOM  24074  CD2 LEU O 112      80.588  11.416   4.180  1.00 20.03           C  
-ATOM  24075  N   TYR O 113      79.469   9.797   8.905  1.00 17.04           N  
-ATOM  24076  CA  TYR O 113      80.019  10.530  10.030  1.00 17.87           C  
-ATOM  24077  C   TYR O 113      81.551  10.460   9.918  1.00 17.77           C  
-ATOM  24078  O   TYR O 113      82.129   9.355   9.858  1.00 17.91           O  
-ATOM  24079  CB  TYR O 113      79.531   9.930  11.351  1.00 17.80           C  
-ATOM  24080  CG  TYR O 113      80.008  10.692  12.547  1.00 19.20           C  
-ATOM  24081  CD1 TYR O 113      80.023  12.086  12.555  1.00 20.42           C  
-ATOM  24082  CD2 TYR O 113      80.497  10.026  13.660  1.00 20.35           C  
-ATOM  24083  CE1 TYR O 113      80.510  12.805  13.690  1.00 22.00           C  
-ATOM  24084  CE2 TYR O 113      80.956  10.720  14.780  1.00 20.15           C  
-ATOM  24085  CZ  TYR O 113      80.973  12.083  14.784  1.00 22.71           C  
-ATOM  24086  OH  TYR O 113      81.459  12.695  15.904  1.00 26.96           O  
-ATOM  24087  N   MET O 114      82.201  11.622   9.811  1.00 17.49           N  
-ATOM  24088  CA  MET O 114      83.651  11.668   9.576  1.00 17.49           C  
-ATOM  24089  C   MET O 114      84.306  12.730  10.470  1.00 17.34           C  
-ATOM  24090  O   MET O 114      84.734  13.787   9.991  1.00 16.41           O  
-ATOM  24091  CB  MET O 114      83.924  11.951   8.105  1.00 17.86           C  
-ATOM  24092  CG  MET O 114      85.360  11.776   7.702  1.00 20.82           C  
-ATOM  24093  SD  MET O 114      85.721  11.583   5.951  1.00 28.03           S  
-ATOM  24094  CE  MET O 114      84.141  11.633   5.274  1.00 26.99           C  
-ATOM  24095  N   PRO O 115      84.409  12.448  11.774  1.00 17.01           N  
-ATOM  24096  CA  PRO O 115      85.071  13.394  12.683  1.00 16.97           C  
-ATOM  24097  C   PRO O 115      86.620  13.375  12.486  1.00 17.15           C  
-ATOM  24098  O   PRO O 115      87.237  12.361  12.065  1.00 16.90           O  
-ATOM  24099  CB  PRO O 115      84.678  12.861  14.054  1.00 17.07           C  
-ATOM  24100  CG  PRO O 115      84.588  11.319  13.808  1.00 16.60           C  
-ATOM  24101  CD  PRO O 115      83.944  11.228  12.470  1.00 16.97           C  
-ATOM  24102  N   SER O 116      87.247  14.518  12.730  1.00 16.93           N  
-ATOM  24103  CA  SER O 116      88.698  14.518  12.881  1.00 17.17           C  
-ATOM  24104  C   SER O 116      89.006  14.166  14.315  1.00 17.13           C  
-ATOM  24105  O   SER O 116      88.448  14.786  15.248  1.00 17.45           O  
-ATOM  24106  CB  SER O 116      89.291  15.887  12.526  1.00 17.23           C  
-ATOM  24107  OG  SER O 116      90.717  15.870  12.568  1.00 18.61           O  
-ATOM  24108  N   ILE O 117      89.873  13.180  14.518  1.00 17.22           N  
-ATOM  24109  CA  ILE O 117      90.149  12.697  15.864  1.00 17.59           C  
-ATOM  24110  C   ILE O 117      91.626  12.790  16.178  1.00 17.73           C  
-ATOM  24111  O   ILE O 117      92.469  12.392  15.358  1.00 17.37           O  
-ATOM  24112  CB  ILE O 117      89.606  11.229  16.033  1.00 18.53           C  
-ATOM  24113  CG1 ILE O 117      88.066  11.273  15.997  1.00 20.20           C  
-ATOM  24114  CG2 ILE O 117      90.135  10.568  17.324  1.00 17.85           C  
-ATOM  24115  CD1 ILE O 117      87.369   9.986  16.318  1.00 21.04           C  
-ATOM  24116  N   ARG O 118      91.940  13.348  17.346  1.00 17.68           N  
-ATOM  24117  CA  ARG O 118      93.287  13.212  17.891  1.00 17.99           C  
-ATOM  24118  C   ARG O 118      93.283  12.126  18.984  1.00 17.63           C  
-ATOM  24119  O   ARG O 118      92.500  12.187  19.933  1.00 17.32           O  
-ATOM  24120  CB  ARG O 118      93.817  14.541  18.455  1.00 18.18           C  
-ATOM  24121  CG  ARG O 118      95.295  14.470  18.762  1.00 19.61           C  
-ATOM  24122  CD  ARG O 118      95.845  15.685  19.493  1.00 23.22           C  
-ATOM  24123  NE  ARG O 118      97.260  15.511  19.827  1.00 26.65           N  
-ATOM  24124  CZ  ARG O 118      98.171  16.488  19.871  1.00 27.88           C  
-ATOM  24125  NH1 ARG O 118      97.835  17.740  19.589  1.00 28.02           N  
-ATOM  24126  NH2 ARG O 118      99.428  16.211  20.199  1.00 27.42           N  
-ATOM  24127  N   GLN O 119      94.164  11.151  18.860  1.00 17.06           N  
-ATOM  24128  CA  GLN O 119      94.209  10.067  19.859  1.00 16.96           C  
-ATOM  24129  C   GLN O 119      95.609   9.494  19.976  1.00 16.43           C  
-ATOM  24130  O   GLN O 119      96.376   9.538  19.004  1.00 16.65           O  
-ATOM  24131  CB  GLN O 119      93.209   8.953  19.486  1.00 17.29           C  
-ATOM  24132  CG  GLN O 119      92.842   7.986  20.632  1.00 17.41           C  
-ATOM  24133  CD  GLN O 119      91.583   7.200  20.328  1.00 18.26           C  
-ATOM  24134  OE1 GLN O 119      91.223   7.017  19.175  1.00 20.22           O  
-ATOM  24135  NE2 GLN O 119      90.907   6.752  21.355  1.00 18.32           N  
-ATOM  24136  N   ARG O 120      95.944   9.003  21.163  1.00 14.69           N  
-ATOM  24137  CA  ARG O 120      97.237   8.360  21.438  1.00 15.79           C  
-ATOM  24138  C   ARG O 120      97.059   6.806  21.440  1.00 14.81           C  
-ATOM  24139  O   ARG O 120      96.060   6.300  21.959  1.00 13.37           O  
-ATOM  24140  CB  ARG O 120      97.817   8.869  22.780  1.00 15.72           C  
-ATOM  24141  CG  ARG O 120      98.460  10.298  22.741  1.00 20.26           C  
-ATOM  24142  CD  ARG O 120      98.835  10.916  24.126  1.00 24.19           C  
-ATOM  24143  NE  ARG O 120      97.722  11.702  24.728  1.00 28.18           N  
-ATOM  24144  CZ  ARG O 120      97.410  11.756  26.048  1.00 30.93           C  
-ATOM  24145  NH1 ARG O 120      98.130  11.094  26.961  1.00 29.37           N  
-ATOM  24146  NH2 ARG O 120      96.372  12.499  26.457  1.00 31.25           N  
-ATOM  24147  N   PHE O 121      98.020   6.076  20.862  1.00 14.67           N  
-ATOM  24148  CA  PHE O 121      97.919   4.624  20.686  1.00 15.17           C  
-ATOM  24149  C   PHE O 121      99.213   3.935  21.172  1.00 15.91           C  
-ATOM  24150  O   PHE O 121     100.304   4.488  21.087  1.00 15.91           O  
-ATOM  24151  CB  PHE O 121      97.677   4.231  19.212  1.00 14.66           C  
-ATOM  24152  CG  PHE O 121      96.408   4.776  18.611  1.00 13.88           C  
-ATOM  24153  CD1 PHE O 121      95.183   4.123  18.790  1.00 14.28           C  
-ATOM  24154  CD2 PHE O 121      96.429   5.950  17.861  1.00 13.84           C  
-ATOM  24155  CE1 PHE O 121      94.006   4.663  18.252  1.00 13.07           C  
-ATOM  24156  CE2 PHE O 121      95.281   6.454  17.295  1.00 12.83           C  
-ATOM  24157  CZ  PHE O 121      94.074   5.845  17.513  1.00 15.45           C  
-ATOM  24158  N   SER O 122      99.055   2.736  21.716  1.00 16.28           N  
-ATOM  24159  CA  SER O 122     100.175   1.839  22.031  1.00 16.73           C  
-ATOM  24160  C   SER O 122     100.335   0.947  20.829  1.00 17.14           C  
-ATOM  24161  O   SER O 122      99.390   0.261  20.451  1.00 16.44           O  
-ATOM  24162  CB  SER O 122      99.798   0.977  23.226  1.00 16.43           C  
-ATOM  24163  OG  SER O 122     100.657  -0.136  23.350  1.00 16.57           O  
-ATOM  24164  N   CYS O 123     101.512   0.973  20.217  1.00 18.19           N  
-ATOM  24165  CA  CYS O 123     101.797   0.157  19.032  1.00 19.94           C  
-ATOM  24166  C   CYS O 123     103.287   0.112  18.736  1.00 19.62           C  
-ATOM  24167  O   CYS O 123     104.074   0.757  19.410  1.00 19.64           O  
-ATOM  24168  CB  CYS O 123     101.005   0.676  17.820  1.00 20.74           C  
-ATOM  24169  SG  CYS O 123     101.369   2.399  17.389  1.00 25.98           S  
-ATOM  24170  N   ASP O 124     103.664  -0.671  17.735  1.00 19.82           N  
-ATOM  24171  CA  ASP O 124     105.062  -0.904  17.391  1.00 19.76           C  
-ATOM  24172  C   ASP O 124     105.673   0.331  16.702  1.00 19.59           C  
-ATOM  24173  O   ASP O 124     105.398   0.608  15.534  1.00 19.46           O  
-ATOM  24174  CB  ASP O 124     105.171  -2.122  16.472  1.00 19.49           C  
-ATOM  24175  CG  ASP O 124     106.569  -2.730  16.455  1.00 20.47           C  
-ATOM  24176  OD1 ASP O 124     107.498  -2.158  17.064  1.00 19.92           O  
-ATOM  24177  OD2 ASP O 124     106.829  -3.802  15.849  1.00 21.51           O  
-ATOM  24178  N   VAL O 125     106.502   1.059  17.439  1.00 19.34           N  
-ATOM  24179  CA  VAL O 125     107.192   2.224  16.893  1.00 18.99           C  
-ATOM  24180  C   VAL O 125     108.622   1.885  16.425  1.00 18.77           C  
-ATOM  24181  O   VAL O 125     109.293   2.727  15.839  1.00 18.55           O  
-ATOM  24182  CB  VAL O 125     107.158   3.403  17.912  1.00 19.27           C  
-ATOM  24183  CG1 VAL O 125     107.916   4.602  17.417  1.00 19.16           C  
-ATOM  24184  CG2 VAL O 125     105.720   3.803  18.195  1.00 18.56           C  
-ATOM  24185  N   SER O 126     109.065   0.643  16.642  1.00 18.50           N  
-ATOM  24186  CA  SER O 126     110.414   0.233  16.227  1.00 18.60           C  
-ATOM  24187  C   SER O 126     110.644   0.410  14.727  1.00 18.28           C  
-ATOM  24188  O   SER O 126     109.776   0.095  13.918  1.00 17.91           O  
-ATOM  24189  CB  SER O 126     110.748  -1.196  16.672  1.00 18.39           C  
-ATOM  24190  OG  SER O 126     109.961  -2.155  16.000  1.00 18.96           O  
-ATOM  24191  N   GLY O 127     111.793   0.973  14.375  1.00 17.81           N  
-ATOM  24192  CA  GLY O 127     112.131   1.184  12.982  1.00 17.67           C  
-ATOM  24193  C   GLY O 127     111.678   2.494  12.387  1.00 17.38           C  
-ATOM  24194  O   GLY O 127     111.886   2.746  11.204  1.00 17.25           O  
-ATOM  24195  N   VAL O 128     111.078   3.343  13.211  1.00 17.13           N  
-ATOM  24196  CA  VAL O 128     110.548   4.610  12.742  1.00 17.34           C  
-ATOM  24197  C   VAL O 128     111.594   5.531  12.051  1.00 17.22           C  
-ATOM  24198  O   VAL O 128     111.261   6.182  11.080  1.00 17.16           O  
-ATOM  24199  CB  VAL O 128     109.797   5.372  13.851  1.00 17.18           C  
-ATOM  24200  CG1 VAL O 128     110.786   5.903  14.887  1.00 16.90           C  
-ATOM  24201  CG2 VAL O 128     108.990   6.502  13.252  1.00 17.33           C  
-ATOM  24202  N   ASP O 129     112.826   5.612  12.545  1.00 16.95           N  
-ATOM  24203  CA  ASP O 129     113.841   6.367  11.798  1.00 17.57           C  
-ATOM  24204  C   ASP O 129     114.743   5.477  10.946  1.00 16.98           C  
-ATOM  24205  O   ASP O 129     115.966   5.645  10.899  1.00 16.87           O  
-ATOM  24206  CB  ASP O 129     114.640   7.368  12.666  1.00 18.08           C  
-ATOM  24207  CG  ASP O 129     115.442   8.412  11.814  1.00 19.24           C  
-ATOM  24208  OD1 ASP O 129     114.895   9.002  10.843  1.00 18.04           O  
-ATOM  24209  OD2 ASP O 129     116.642   8.705  12.056  1.00 20.71           O  
-ATOM  24210  N   THR O 130     114.113   4.536  10.254  1.00 16.93           N  
-ATOM  24211  CA  THR O 130     114.783   3.794   9.196  1.00 17.23           C  
-ATOM  24212  C   THR O 130     114.027   3.934   7.876  1.00 17.19           C  
-ATOM  24213  O   THR O 130     112.938   4.472   7.821  1.00 16.55           O  
-ATOM  24214  CB  THR O 130     114.976   2.304   9.563  1.00 16.96           C  
-ATOM  24215  OG1 THR O 130     113.701   1.703   9.828  1.00 18.00           O  
-ATOM  24216  CG2 THR O 130     115.743   2.147  10.879  1.00 16.64           C  
-ATOM  24217  N   GLU O 131     114.667   3.449   6.825  1.00 17.92           N  
-ATOM  24218  CA  GLU O 131     114.154   3.383   5.468  1.00 18.39           C  
-ATOM  24219  C   GLU O 131     112.843   2.602   5.356  1.00 18.03           C  
-ATOM  24220  O   GLU O 131     111.909   3.042   4.695  1.00 17.61           O  
-ATOM  24221  CB  GLU O 131     115.239   2.752   4.591  1.00 18.62           C  
-ATOM  24222  CG  GLU O 131     116.669   3.090   5.042  1.00 21.39           C  
-ATOM  24223  CD  GLU O 131     117.338   2.025   5.937  1.00 23.78           C  
-ATOM  24224  OE1 GLU O 131     117.459   0.849   5.505  1.00 21.85           O  
-ATOM  24225  OE2 GLU O 131     117.790   2.370   7.069  1.00 23.20           O  
-ATOM  24226  N   SER O 132     112.775   1.454   6.018  1.00 18.24           N  
-ATOM  24227  CA  SER O 132     111.587   0.610   5.978  1.00 18.75           C  
-ATOM  24228  C   SER O 132     110.472   1.130   6.910  1.00 18.67           C  
-ATOM  24229  O   SER O 132     109.292   0.789   6.751  1.00 18.68           O  
-ATOM  24230  CB  SER O 132     111.973  -0.804   6.356  1.00 18.56           C  
-ATOM  24231  OG  SER O 132     112.392  -0.796   7.704  1.00 19.43           O  
-ATOM  24232  N   GLY O 133     110.865   1.962   7.877  1.00 18.65           N  
-ATOM  24233  CA  GLY O 133     109.941   2.637   8.772  1.00 18.00           C  
-ATOM  24234  C   GLY O 133     109.332   1.771   9.853  1.00 18.16           C  
-ATOM  24235  O   GLY O 133     109.662   0.602  10.003  1.00 17.48           O  
-ATOM  24236  N   ALA O 134     108.430   2.372  10.626  1.00 18.26           N  
-ATOM  24237  CA  ALA O 134     107.666   1.649  11.627  1.00 18.73           C  
-ATOM  24238  C   ALA O 134     106.289   1.227  11.082  1.00 19.21           C  
-ATOM  24239  O   ALA O 134     105.785   1.809  10.118  1.00 18.78           O  
-ATOM  24240  CB  ALA O 134     107.506   2.508  12.849  1.00 18.15           C  
-ATOM  24241  N   THR O 135     105.702   0.204  11.690  1.00 19.83           N  
-ATOM  24242  CA  THR O 135     104.331  -0.190  11.358  1.00 20.73           C  
-ATOM  24243  C   THR O 135     103.464  -0.260  12.611  1.00 21.34           C  
-ATOM  24244  O   THR O 135     103.585  -1.181  13.405  1.00 21.35           O  
-ATOM  24245  CB  THR O 135     104.289  -1.495  10.556  1.00 20.31           C  
-ATOM  24246  OG1 THR O 135     105.166  -1.370   9.440  1.00 19.39           O  
-ATOM  24247  CG2 THR O 135     102.918  -1.658   9.887  1.00 19.83           C  
-ATOM  24248  N   CYS O 136     102.619   0.758  12.770  1.00 21.82           N  
-ATOM  24249  CA  CYS O 136     101.708   0.891  13.895  1.00 22.86           C  
-ATOM  24250  C   CYS O 136     100.355   0.307  13.473  1.00 22.53           C  
-ATOM  24251  O   CYS O 136      99.807   0.683  12.437  1.00 22.54           O  
-ATOM  24252  CB  CYS O 136     101.588   2.375  14.267  1.00 23.33           C  
-ATOM  24253  SG  CYS O 136     100.439   2.804  15.610  1.00 27.59           S  
-ATOM  24254  N   ARG O 137      99.838  -0.647  14.250  1.00 22.24           N  
-ATOM  24255  CA  ARG O 137      98.545  -1.245  13.940  1.00 21.57           C  
-ATOM  24256  C   ARG O 137      97.482  -0.704  14.863  1.00 20.78           C  
-ATOM  24257  O   ARG O 137      97.629  -0.782  16.084  1.00 20.42           O  
-ATOM  24258  CB  ARG O 137      98.569  -2.792  13.988  1.00 22.42           C  
-ATOM  24259  CG  ARG O 137      99.143  -3.427  12.733  1.00 24.19           C  
-ATOM  24260  CD  ARG O 137      99.532  -4.923  12.835  1.00 27.36           C  
-ATOM  24261  NE  ARG O 137     100.934  -5.182  12.476  1.00 30.25           N  
-ATOM  24262  CZ  ARG O 137     101.439  -5.226  11.219  1.00 32.11           C  
-ATOM  24263  NH1 ARG O 137     100.676  -5.012  10.138  1.00 31.74           N  
-ATOM  24264  NH2 ARG O 137     102.732  -5.467  11.045  1.00 30.24           N  
-ATOM  24265  N   ILE O 138      96.420  -0.151  14.282  1.00 19.11           N  
-ATOM  24266  CA  ILE O 138      95.315   0.355  15.082  1.00 18.82           C  
-ATOM  24267  C   ILE O 138      94.090  -0.527  14.872  1.00 18.16           C  
-ATOM  24268  O   ILE O 138      93.653  -0.710  13.750  1.00 18.35           O  
-ATOM  24269  CB  ILE O 138      94.976   1.841  14.738  1.00 17.91           C  
-ATOM  24270  CG1 ILE O 138      96.154   2.775  15.029  1.00 14.97           C  
-ATOM  24271  CG2 ILE O 138      93.760   2.246  15.476  1.00 19.66           C  
-ATOM  24272  CD1 ILE O 138      95.872   4.288  14.653  1.00 13.20           C  
-ATOM  24273  N   LYS O 139      93.549  -1.064  15.950  1.00 17.38           N  
-ATOM  24274  CA  LYS O 139      92.437  -2.010  15.852  1.00 17.22           C  
-ATOM  24275  C   LYS O 139      91.147  -1.341  16.311  1.00 17.00           C  
-ATOM  24276  O   LYS O 139      91.075  -0.858  17.440  1.00 17.36           O  
-ATOM  24277  CB  LYS O 139      92.732  -3.254  16.697  1.00 16.71           C  
-ATOM  24278  CG  LYS O 139      91.579  -4.195  16.928  1.00 14.80           C  
-ATOM  24279  CD  LYS O 139      91.905  -5.098  18.140  1.00 16.11           C  
-ATOM  24280  CE  LYS O 139      90.816  -6.182  18.391  1.00 17.93           C  
-ATOM  24281  NZ  LYS O 139      91.308  -7.223  19.344  1.00 20.00           N  
-ATOM  24282  N   ILE O 140      90.140  -1.349  15.442  1.00 16.66           N  
-ATOM  24283  CA  ILE O 140      88.867  -0.688  15.704  1.00 16.74           C  
-ATOM  24284  C   ILE O 140      87.706  -1.607  15.473  1.00 16.13           C  
-ATOM  24285  O   ILE O 140      87.621  -2.255  14.420  1.00 15.83           O  
-ATOM  24286  CB  ILE O 140      88.748   0.652  14.866  1.00 17.20           C  
-ATOM  24287  CG1 ILE O 140      89.781   1.635  15.388  1.00 19.48           C  
-ATOM  24288  CG2 ILE O 140      87.338   1.302  14.993  1.00 17.19           C  
-ATOM  24289  CD1 ILE O 140      90.295   2.620  14.364  1.00 23.62           C  
-ATOM  24290  N   GLY O 141      86.794  -1.667  16.446  1.00 15.19           N  
-ATOM  24291  CA  GLY O 141      85.582  -2.471  16.289  1.00 14.56           C  
-ATOM  24292  C   GLY O 141      84.498  -2.016  17.249  1.00 14.71           C  
-ATOM  24293  O   GLY O 141      84.755  -1.138  18.082  1.00 14.49           O  
-ATOM  24294  N   SER O 142      83.299  -2.593  17.139  1.00 13.59           N  
-ATOM  24295  CA  SER O 142      82.234  -2.259  18.074  1.00 13.71           C  
-ATOM  24296  C   SER O 142      82.641  -2.734  19.454  1.00 13.39           C  
-ATOM  24297  O   SER O 142      83.172  -3.800  19.598  1.00 13.44           O  
-ATOM  24298  CB  SER O 142      80.861  -2.793  17.666  1.00 14.00           C  
-ATOM  24299  OG  SER O 142      79.917  -2.798  18.764  1.00 16.65           O  
-ATOM  24300  N   TRP O 143      82.402  -1.923  20.467  1.00 12.55           N  
-ATOM  24301  CA  TRP O 143      82.727  -2.317  21.808  1.00 12.02           C  
-ATOM  24302  C   TRP O 143      81.753  -3.326  22.382  1.00 12.01           C  
-ATOM  24303  O   TRP O 143      82.165  -4.177  23.141  1.00 11.65           O  
-ATOM  24304  CB  TRP O 143      82.719  -1.142  22.728  1.00 11.89           C  
-ATOM  24305  CG  TRP O 143      83.439  -1.426  24.033  1.00 13.25           C  
-ATOM  24306  CD1 TRP O 143      82.925  -1.337  25.302  1.00 12.06           C  
-ATOM  24307  CD2 TRP O 143      84.816  -1.835  24.187  1.00 14.25           C  
-ATOM  24308  NE1 TRP O 143      83.908  -1.609  26.225  1.00 14.47           N  
-ATOM  24309  CE2 TRP O 143      85.070  -1.936  25.572  1.00 12.29           C  
-ATOM  24310  CE3 TRP O 143      85.870  -2.090  23.290  1.00 12.08           C  
-ATOM  24311  CZ2 TRP O 143      86.309  -2.308  26.081  1.00 14.93           C  
-ATOM  24312  CZ3 TRP O 143      87.116  -2.451  23.800  1.00 11.59           C  
-ATOM  24313  CH2 TRP O 143      87.317  -2.574  25.185  1.00 14.85           C  
-ATOM  24314  N   THR O 144      80.469  -3.206  22.056  1.00 11.45           N  
-ATOM  24315  CA  THR O 144      79.459  -4.050  22.668  1.00 11.31           C  
-ATOM  24316  C   THR O 144      78.578  -4.869  21.741  1.00 11.47           C  
-ATOM  24317  O   THR O 144      77.719  -5.611  22.226  1.00 11.14           O  
-ATOM  24318  CB  THR O 144      78.483  -3.293  23.568  1.00 12.02           C  
-ATOM  24319  OG1 THR O 144      77.706  -2.351  22.775  1.00 12.97           O  
-ATOM  24320  CG2 THR O 144      79.241  -2.520  24.646  1.00 12.13           C  
-ATOM  24321  N   HIS O 145      78.738  -4.723  20.444  1.00 11.28           N  
-ATOM  24322  CA  HIS O 145      77.865  -5.435  19.512  1.00 10.98           C  
-ATOM  24323  C   HIS O 145      78.663  -6.522  18.774  1.00 10.93           C  
-ATOM  24324  O   HIS O 145      79.615  -6.262  18.077  1.00 10.37           O  
-ATOM  24325  CB  HIS O 145      77.233  -4.510  18.485  1.00 10.60           C  
-ATOM  24326  CG  HIS O 145      76.143  -3.644  19.032  1.00 10.89           C  
-ATOM  24327  ND1 HIS O 145      76.327  -2.296  19.272  1.00 10.60           N  
-ATOM  24328  CD2 HIS O 145      74.859  -3.928  19.376  1.00  4.69           C  
-ATOM  24329  CE1 HIS O 145      75.211  -1.784  19.757  1.00 11.09           C  
-ATOM  24330  NE2 HIS O 145      74.304  -2.753  19.831  1.00 10.92           N  
-ATOM  24331  N   HIS O 146      78.230  -7.751  18.927  1.00 10.25           N  
-ATOM  24332  CA  HIS O 146      78.982  -8.842  18.312  1.00 10.88           C  
-ATOM  24333  C   HIS O 146      78.593  -8.952  16.811  1.00 11.44           C  
-ATOM  24334  O   HIS O 146      77.793  -8.130  16.298  1.00 11.22           O  
-ATOM  24335  CB  HIS O 146      78.685 -10.115  19.092  1.00  9.26           C  
-ATOM  24336  CG  HIS O 146      77.238 -10.381  19.186  1.00  6.57           C  
-ATOM  24337  ND1 HIS O 146      76.466 -10.600  18.069  1.00  9.08           N  
-ATOM  24338  CD2 HIS O 146      76.390 -10.393  20.242  1.00  9.17           C  
-ATOM  24339  CE1 HIS O 146      75.212 -10.832  18.439  1.00 12.46           C  
-ATOM  24340  NE2 HIS O 146      75.140 -10.692  19.755  1.00 12.26           N  
-ATOM  24341  N   SER O 147      79.138  -9.960  16.134  1.00 11.57           N  
-ATOM  24342  CA  SER O 147      79.107 -10.077  14.690  1.00 11.73           C  
-ATOM  24343  C   SER O 147      77.706 -10.196  14.094  1.00 11.72           C  
-ATOM  24344  O   SER O 147      77.516  -9.941  12.919  1.00 12.34           O  
-ATOM  24345  CB  SER O 147      79.952 -11.284  14.264  1.00 10.57           C  
-ATOM  24346  OG  SER O 147      79.186 -12.470  14.436  1.00 11.29           O  
-ATOM  24347  N   ARG O 148      76.725 -10.597  14.881  1.00 12.13           N  
-ATOM  24348  CA  ARG O 148      75.361 -10.695  14.356  1.00 12.59           C  
-ATOM  24349  C   ARG O 148      74.611  -9.370  14.408  1.00 12.55           C  
-ATOM  24350  O   ARG O 148      73.509  -9.283  13.902  1.00 12.36           O  
-ATOM  24351  CB  ARG O 148      74.516 -11.812  15.039  1.00 12.68           C  
-ATOM  24352  CG  ARG O 148      75.229 -13.153  15.245  1.00 13.37           C  
-ATOM  24353  CD  ARG O 148      74.280 -14.338  15.741  1.00 18.14           C  
-ATOM  24354  NE  ARG O 148      74.026 -14.405  17.242  1.00 22.76           N  
-ATOM  24355  CZ  ARG O 148      72.806 -14.446  17.821  1.00 25.95           C  
-ATOM  24356  NH1 ARG O 148      71.714 -14.370  17.028  1.00 26.49           N  
-ATOM  24357  NH2 ARG O 148      72.665 -14.512  19.179  1.00 29.45           N  
-ATOM  24358  N   GLU O 149      75.216  -8.357  15.030  1.00 12.43           N  
-ATOM  24359  CA  GLU O 149      74.603  -7.026  15.220  1.00 12.68           C  
-ATOM  24360  C   GLU O 149      75.347  -5.960  14.426  1.00 12.54           C  
-ATOM  24361  O   GLU O 149      74.712  -5.147  13.781  1.00 12.13           O  
-ATOM  24362  CB  GLU O 149      74.528  -6.601  16.710  1.00 11.59           C  
-ATOM  24363  CG  GLU O 149      73.246  -7.078  17.415  1.00 15.11           C  
-ATOM  24364  CD  GLU O 149      73.456  -7.508  18.875  1.00 17.28           C  
-ATOM  24365  OE1 GLU O 149      74.379  -6.980  19.503  1.00 17.46           O  
-ATOM  24366  OE2 GLU O 149      72.716  -8.388  19.411  1.00 18.69           O  
-ATOM  24367  N   ILE O 150      76.678  -5.980  14.489  1.00 12.81           N  
-ATOM  24368  CA  ILE O 150      77.545  -5.107  13.703  1.00 13.18           C  
-ATOM  24369  C   ILE O 150      78.681  -5.860  13.001  1.00 14.61           C  
-ATOM  24370  O   ILE O 150      79.475  -6.579  13.636  1.00 14.84           O  
-ATOM  24371  CB  ILE O 150      78.145  -3.953  14.588  1.00 13.39           C  
-ATOM  24372  CG1 ILE O 150      77.011  -3.067  15.175  1.00  9.99           C  
-ATOM  24373  CG2 ILE O 150      79.114  -3.141  13.764  1.00 10.42           C  
-ATOM  24374  CD1 ILE O 150      77.483  -1.774  15.959  1.00 14.62           C  
-ATOM  24375  N   SER O 151      78.773  -5.675  11.692  1.00 15.67           N  
-ATOM  24376  CA  SER O 151      79.971  -6.052  10.962  1.00 18.04           C  
-ATOM  24377  C   SER O 151      80.778  -4.808  10.621  1.00 19.24           C  
-ATOM  24378  O   SER O 151      80.230  -3.724  10.370  1.00 19.52           O  
-ATOM  24379  CB  SER O 151      79.664  -6.872   9.711  1.00 17.98           C  
-ATOM  24380  OG  SER O 151      78.689  -6.261   8.888  1.00 21.99           O  
-ATOM  24381  N   VAL O 152      82.092  -4.948  10.664  1.00 20.66           N  
-ATOM  24382  CA  VAL O 152      82.934  -3.833  10.338  1.00 22.91           C  
-ATOM  24383  C   VAL O 152      83.797  -4.177   9.160  1.00 24.37           C  
-ATOM  24384  O   VAL O 152      84.440  -5.216   9.141  1.00 24.39           O  
-ATOM  24385  CB  VAL O 152      83.689  -3.237  11.592  1.00 22.41           C  
-ATOM  24386  CG1 VAL O 152      82.710  -2.974  12.663  1.00 22.29           C  
-ATOM  24387  CG2 VAL O 152      84.693  -4.175  12.150  1.00 23.60           C  
-ATOM  24388  N   ASP O 153      83.761  -3.290   8.168  1.00 26.12           N  
-ATOM  24389  CA  ASP O 153      84.555  -3.450   6.966  1.00 29.08           C  
-ATOM  24390  C   ASP O 153      85.270  -2.173   6.567  1.00 30.69           C  
-ATOM  24391  O   ASP O 153      84.743  -1.075   6.760  1.00 30.74           O  
-ATOM  24392  CB  ASP O 153      83.701  -3.960   5.801  1.00 28.35           C  
-ATOM  24393  CG  ASP O 153      83.403  -5.461   5.906  1.00 30.69           C  
-ATOM  24394  OD1 ASP O 153      82.473  -5.819   6.668  1.00 30.63           O  
-ATOM  24395  OD2 ASP O 153      84.045  -6.351   5.277  1.00 30.07           O  
-ATOM  24396  N   PRO O 154      86.469  -2.329   6.002  1.00 32.84           N  
-ATOM  24397  CA  PRO O 154      87.145  -1.230   5.300  1.00 34.58           C  
-ATOM  24398  C   PRO O 154      86.319  -0.719   4.113  1.00 36.52           C  
-ATOM  24399  O   PRO O 154      85.755  -1.532   3.384  1.00 36.93           O  
-ATOM  24400  CB  PRO O 154      88.437  -1.887   4.791  1.00 34.35           C  
-ATOM  24401  CG  PRO O 154      88.631  -3.070   5.641  1.00 32.90           C  
-ATOM  24402  CD  PRO O 154      87.275  -3.563   5.999  1.00 32.40           C  
-ATOM  24403  N   THR O 155      86.232   0.603   3.943  1.00 38.99           N  
-ATOM  24404  CA  THR O 155      85.748   1.222   2.696  1.00 41.18           C  
-ATOM  24405  C   THR O 155      86.411   0.625   1.452  1.00 42.72           C  
-ATOM  24406  O   THR O 155      87.483   0.018   1.547  1.00 43.13           O  
-ATOM  24407  CB  THR O 155      86.055   2.735   2.724  1.00 40.54           C  
-ATOM  24408  OG1 THR O 155      85.606   3.276   3.958  1.00 40.76           O  
-ATOM  24409  CG2 THR O 155      85.209   3.486   1.712  1.00 40.92           C  
-ATOM  24410  N   THR O 156      85.780   0.803   0.289  1.00 45.26           N  
-ATOM  24411  CA  THR O 156      86.426   0.496  -1.007  1.00 47.37           C  
-ATOM  24412  C   THR O 156      87.640   1.423  -1.286  1.00 48.50           C  
-ATOM  24413  O   THR O 156      87.486   2.650  -1.394  1.00 48.33           O  
-ATOM  24414  CB  THR O 156      85.400   0.572  -2.171  1.00 47.74           C  
-ATOM  24415  OG1 THR O 156      84.270   1.373  -1.785  1.00 47.46           O  
-ATOM  24416  CG2 THR O 156      84.797  -0.815  -2.457  1.00 48.22           C  
-ATOM  24417  N   GLU O 157      88.833   0.831  -1.427  1.00 49.91           N  
-ATOM  24418  CA  GLU O 157      90.099   1.602  -1.418  1.00 51.34           C  
-ATOM  24419  C   GLU O 157      90.558   2.320  -2.730  1.00 51.59           C  
-ATOM  24420  O   GLU O 157      91.714   2.178  -3.158  1.00 51.77           O  
-ATOM  24421  CB  GLU O 157      91.244   0.774  -0.784  1.00 51.67           C  
-ATOM  24422  CG  GLU O 157      91.615  -0.530  -1.503  1.00 53.24           C  
-ATOM  24423  CD  GLU O 157      90.985  -1.773  -0.878  1.00 55.32           C  
-ATOM  24424  OE1 GLU O 157      90.484  -2.631  -1.638  1.00 56.88           O  
-ATOM  24425  OE2 GLU O 157      90.987  -1.910   0.368  1.00 57.12           O  
-ATOM  24426  N   ASN O 158      89.668   3.113  -3.337  1.00 51.95           N  
-ATOM  24427  CA  ASN O 158      90.057   3.981  -4.472  1.00 52.17           C  
-ATOM  24428  C   ASN O 158      90.863   5.219  -4.038  1.00 51.74           C  
-ATOM  24429  O   ASN O 158      91.679   5.740  -4.810  1.00 51.75           O  
-ATOM  24430  CB  ASN O 158      88.840   4.401  -5.322  1.00 52.39           C  
-ATOM  24431  CG  ASN O 158      89.216   4.738  -6.785  1.00 53.16           C  
-ATOM  24432  OD1 ASN O 158      89.792   3.913  -7.502  1.00 52.71           O  
-ATOM  24433  ND2 ASN O 158      88.870   5.949  -7.226  1.00 53.65           N  
-ATOM  24434  N   SER O 159      90.621   5.672  -2.803  1.00 50.95           N  
-ATOM  24435  CA  SER O 159      91.328   6.806  -2.198  1.00 49.97           C  
-ATOM  24436  C   SER O 159      92.768   6.476  -1.759  1.00 49.19           C  
-ATOM  24437  O   SER O 159      93.012   5.422  -1.151  1.00 48.71           O  
-ATOM  24438  CB  SER O 159      90.526   7.332  -1.003  1.00 50.23           C  
-ATOM  24439  OG  SER O 159      91.058   6.893   0.245  1.00 50.58           O  
-ATOM  24440  N   ASP O 160      93.693   7.404  -2.054  1.00 48.10           N  
-ATOM  24441  CA  ASP O 160      95.133   7.284  -1.743  1.00 46.77           C  
-ATOM  24442  C   ASP O 160      95.461   7.143  -0.248  1.00 45.71           C  
-ATOM  24443  O   ASP O 160      94.563   7.275   0.636  1.00 45.18           O  
-ATOM  24444  CB  ASP O 160      95.929   8.469  -2.331  1.00 47.05           C  
-ATOM  24445  CG  ASP O 160      95.440   8.886  -3.711  1.00 47.83           C  
-ATOM  24446  OD1 ASP O 160      94.503   9.708  -3.789  1.00 46.89           O  
-ATOM  24447  OD2 ASP O 160      95.932   8.437  -4.777  1.00 49.06           O  
-ATOM  24448  N   ASP O 161      96.748   6.883   0.025  1.00 43.77           N  
-ATOM  24449  CA  ASP O 161      97.209   6.604   1.399  1.00 42.66           C  
-ATOM  24450  C   ASP O 161      97.523   7.859   2.244  1.00 41.48           C  
-ATOM  24451  O   ASP O 161      96.744   8.238   3.131  1.00 41.00           O  
-ATOM  24452  CB  ASP O 161      98.376   5.600   1.403  1.00 42.85           C  
-ATOM  24453  CG  ASP O 161      97.908   4.142   1.318  1.00 42.80           C  
-ATOM  24454  OD1 ASP O 161      96.755   3.841   1.733  1.00 41.77           O  
-ATOM  24455  OD2 ASP O 161      98.640   3.235   0.845  1.00 42.08           O  
-ATOM  24456  N   SER O 162      98.651   8.506   1.961  1.00 39.92           N  
-ATOM  24457  CA  SER O 162      98.924   9.831   2.520  1.00 38.57           C  
-ATOM  24458  C   SER O 162      98.156  10.907   1.740  1.00 37.21           C  
-ATOM  24459  O   SER O 162      98.712  11.970   1.413  1.00 37.30           O  
-ATOM  24460  CB  SER O 162     100.443  10.134   2.506  1.00 39.09           C  
-ATOM  24461  OG  SER O 162     100.877  10.687   1.276  1.00 37.30           O  
-ATOM  24462  N   GLU O 163      96.889  10.630   1.433  1.00 34.97           N  
-ATOM  24463  CA  GLU O 163      96.127  11.504   0.540  1.00 32.78           C  
-ATOM  24464  C   GLU O 163      95.952  12.904   1.160  1.00 30.97           C  
-ATOM  24465  O   GLU O 163      96.212  13.918   0.498  1.00 30.72           O  
-ATOM  24466  CB  GLU O 163      94.784  10.870   0.190  1.00 33.16           C  
-ATOM  24467  CG  GLU O 163      94.097  11.449  -1.043  1.00 33.63           C  
-ATOM  24468  CD  GLU O 163      92.748  10.794  -1.340  1.00 34.85           C  
-ATOM  24469  OE1 GLU O 163      92.149  10.142  -0.441  1.00 33.69           O  
-ATOM  24470  OE2 GLU O 163      92.275  10.934  -2.489  1.00 37.29           O  
-ATOM  24471  N   TYR O 164      95.552  12.954   2.433  1.00 27.86           N  
-ATOM  24472  CA  TYR O 164      95.395  14.233   3.116  1.00 25.22           C  
-ATOM  24473  C   TYR O 164      96.396  14.460   4.237  1.00 23.49           C  
-ATOM  24474  O   TYR O 164      96.236  15.374   5.039  1.00 22.51           O  
-ATOM  24475  CB  TYR O 164      93.964  14.418   3.611  1.00 24.53           C  
-ATOM  24476  CG  TYR O 164      92.924  14.117   2.557  1.00 24.22           C  
-ATOM  24477  CD1 TYR O 164      92.795  14.917   1.413  1.00 23.24           C  
-ATOM  24478  CD2 TYR O 164      92.050  13.041   2.713  1.00 24.21           C  
-ATOM  24479  CE1 TYR O 164      91.842  14.638   0.450  1.00 24.49           C  
-ATOM  24480  CE2 TYR O 164      91.085  12.763   1.766  1.00 25.02           C  
-ATOM  24481  CZ  TYR O 164      90.983  13.562   0.645  1.00 25.97           C  
-ATOM  24482  OH  TYR O 164      90.031  13.249  -0.287  1.00 28.88           O  
-ATOM  24483  N   PHE O 165      97.454  13.655   4.249  1.00 21.88           N  
-ATOM  24484  CA  PHE O 165      98.507  13.792   5.238  1.00 19.96           C  
-ATOM  24485  C   PHE O 165      99.277  15.109   5.100  1.00 19.24           C  
-ATOM  24486  O   PHE O 165      99.538  15.562   3.990  1.00 18.70           O  
-ATOM  24487  CB  PHE O 165      99.456  12.614   5.150  1.00 19.50           C  
-ATOM  24488  CG  PHE O 165     100.332  12.473   6.340  1.00 18.46           C  
-ATOM  24489  CD1 PHE O 165      99.805  12.066   7.564  1.00 17.49           C  
-ATOM  24490  CD2 PHE O 165     101.691  12.784   6.254  1.00 17.49           C  
-ATOM  24491  CE1 PHE O 165     100.613  11.943   8.694  1.00 18.17           C  
-ATOM  24492  CE2 PHE O 165     102.520  12.664   7.371  1.00 17.54           C  
-ATOM  24493  CZ  PHE O 165     101.987  12.254   8.596  1.00 17.23           C  
-ATOM  24494  N   SER O 166      99.618  15.716   6.236  1.00 18.18           N  
-ATOM  24495  CA  SER O 166     100.268  17.026   6.235  1.00 17.52           C  
-ATOM  24496  C   SER O 166     101.675  16.946   5.617  1.00 17.11           C  
-ATOM  24497  O   SER O 166     102.483  16.114   5.993  1.00 15.88           O  
-ATOM  24498  CB  SER O 166     100.333  17.602   7.655  1.00 17.24           C  
-ATOM  24499  OG  SER O 166     101.019  18.834   7.673  1.00 17.16           O  
-ATOM  24500  N   GLN O 167     101.953  17.841   4.675  1.00 17.13           N  
-ATOM  24501  CA  GLN O 167     103.297  17.999   4.129  1.00 17.74           C  
-ATOM  24502  C   GLN O 167     104.282  18.609   5.126  1.00 17.55           C  
-ATOM  24503  O   GLN O 167     105.481  18.636   4.856  1.00 17.23           O  
-ATOM  24504  CB  GLN O 167     103.262  18.852   2.861  1.00 18.09           C  
-ATOM  24505  CG  GLN O 167     102.898  20.309   3.121  1.00 19.81           C  
-ATOM  24506  CD  GLN O 167     102.744  21.130   1.852  1.00 22.53           C  
-ATOM  24507  OE1 GLN O 167     103.737  21.463   1.186  1.00 22.54           O  
-ATOM  24508  NE2 GLN O 167     101.493  21.471   1.521  1.00 21.98           N  
-ATOM  24509  N   TYR O 168     103.777  19.084   6.267  1.00 17.54           N  
-ATOM  24510  CA  TYR O 168     104.619  19.771   7.251  1.00 17.42           C  
-ATOM  24511  C   TYR O 168     105.026  18.854   8.399  1.00 16.96           C  
-ATOM  24512  O   TYR O 168     105.895  19.189   9.202  1.00 17.09           O  
-ATOM  24513  CB  TYR O 168     103.934  21.067   7.736  1.00 17.51           C  
-ATOM  24514  CG  TYR O 168     103.683  22.015   6.590  1.00 17.21           C  
-ATOM  24515  CD1 TYR O 168     104.744  22.475   5.808  1.00 17.14           C  
-ATOM  24516  CD2 TYR O 168     102.395  22.394   6.245  1.00 17.13           C  
-ATOM  24517  CE1 TYR O 168     104.532  23.315   4.722  1.00 17.95           C  
-ATOM  24518  CE2 TYR O 168     102.166  23.251   5.167  1.00 16.86           C  
-ATOM  24519  CZ  TYR O 168     103.237  23.704   4.409  1.00 17.88           C  
-ATOM  24520  OH  TYR O 168     103.041  24.557   3.333  1.00 19.21           O  
-ATOM  24521  N   SER O 169     104.392  17.694   8.453  1.00 16.23           N  
-ATOM  24522  CA  SER O 169     104.769  16.666   9.422  1.00 16.22           C  
-ATOM  24523  C   SER O 169     106.259  16.325   9.344  1.00 16.08           C  
-ATOM  24524  O   SER O 169     106.904  16.449   8.298  1.00 15.52           O  
-ATOM  24525  CB  SER O 169     103.935  15.411   9.232  1.00 15.66           C  
-ATOM  24526  OG  SER O 169     104.257  14.466  10.231  1.00 15.80           O  
-ATOM  24527  N   ARG O 170     106.802  15.934  10.484  1.00 16.44           N  
-ATOM  24528  CA  ARG O 170     108.155  15.404  10.586  1.00 16.81           C  
-ATOM  24529  C   ARG O 170     108.215  13.994   9.987  1.00 16.01           C  
-ATOM  24530  O   ARG O 170     109.285  13.417   9.808  1.00 15.62           O  
-ATOM  24531  CB  ARG O 170     108.530  15.281  12.055  1.00 17.28           C  
-ATOM  24532  CG  ARG O 170     109.413  16.350  12.552  1.00 20.22           C  
-ATOM  24533  CD  ARG O 170     109.796  16.154  13.998  1.00 23.80           C  
-ATOM  24534  NE  ARG O 170     108.615  15.826  14.793  1.00 26.53           N  
-ATOM  24535  CZ  ARG O 170     108.640  15.293  16.014  1.00 27.56           C  
-ATOM  24536  NH1 ARG O 170     109.814  15.030  16.612  1.00 25.21           N  
-ATOM  24537  NH2 ARG O 170     107.479  15.040  16.638  1.00 24.95           N  
-ATOM  24538  N   PHE O 171     107.058  13.449   9.674  1.00 14.83           N  
-ATOM  24539  CA  PHE O 171     106.972  12.055   9.271  1.00 15.68           C  
-ATOM  24540  C   PHE O 171     106.349  11.974   7.893  1.00 16.23           C  
-ATOM  24541  O   PHE O 171     105.762  12.948   7.413  1.00 16.17           O  
-ATOM  24542  CB  PHE O 171     106.163  11.250  10.298  1.00 14.25           C  
-ATOM  24543  CG  PHE O 171     106.730  11.315  11.692  1.00 13.09           C  
-ATOM  24544  CD1 PHE O 171     106.297  12.281  12.594  1.00  9.44           C  
-ATOM  24545  CD2 PHE O 171     107.689  10.399  12.108  1.00 14.57           C  
-ATOM  24546  CE1 PHE O 171     106.801  12.351  13.882  1.00  8.23           C  
-ATOM  24547  CE2 PHE O 171     108.224  10.460  13.415  1.00 15.60           C  
-ATOM  24548  CZ  PHE O 171     107.772  11.451  14.299  1.00 12.50           C  
-ATOM  24549  N   GLU O 172     106.519  10.827   7.252  1.00 16.02           N  
-ATOM  24550  CA  GLU O 172     105.879  10.563   5.981  1.00 16.96           C  
-ATOM  24551  C   GLU O 172     105.281   9.162   6.035  1.00 17.23           C  
-ATOM  24552  O   GLU O 172     105.829   8.258   6.679  1.00 17.12           O  
-ATOM  24553  CB  GLU O 172     106.874  10.682   4.813  1.00 17.23           C  
-ATOM  24554  CG  GLU O 172     108.105   9.799   4.913  1.00 18.77           C  
-ATOM  24555  CD  GLU O 172     109.106  10.003   3.782  1.00 22.61           C  
-ATOM  24556  OE1 GLU O 172     108.750  10.582   2.734  1.00 25.17           O  
-ATOM  24557  OE2 GLU O 172     110.273   9.587   3.935  1.00 22.88           O  
-ATOM  24558  N   ILE O 173     104.155   8.996   5.355  1.00 17.56           N  
-ATOM  24559  CA  ILE O 173     103.481   7.713   5.290  1.00 18.12           C  
-ATOM  24560  C   ILE O 173     103.965   6.911   4.081  1.00 18.61           C  
-ATOM  24561  O   ILE O 173     103.984   7.409   2.945  1.00 18.61           O  
-ATOM  24562  CB  ILE O 173     101.979   7.918   5.242  1.00 18.35           C  
-ATOM  24563  CG1 ILE O 173     101.506   8.521   6.565  1.00 18.70           C  
-ATOM  24564  CG2 ILE O 173     101.278   6.569   4.944  1.00 18.57           C  
-ATOM  24565  CD1 ILE O 173     100.046   8.819   6.621  1.00 20.63           C  
-ATOM  24566  N   LEU O 174     104.403   5.686   4.332  1.00 18.94           N  
-ATOM  24567  CA  LEU O 174     104.862   4.816   3.251  1.00 19.25           C  
-ATOM  24568  C   LEU O 174     103.713   4.008   2.704  1.00 19.79           C  
-ATOM  24569  O   LEU O 174     103.624   3.815   1.497  1.00 19.89           O  
-ATOM  24570  CB  LEU O 174     105.989   3.913   3.715  1.00 19.01           C  
-ATOM  24571  CG  LEU O 174     107.190   4.651   4.289  1.00 19.44           C  
-ATOM  24572  CD1 LEU O 174     108.155   3.672   4.949  1.00 19.55           C  
-ATOM  24573  CD2 LEU O 174     107.883   5.476   3.222  1.00 18.88           C  
-ATOM  24574  N   ASP O 175     102.826   3.558   3.595  1.00 20.15           N  
-ATOM  24575  CA  ASP O 175     101.729   2.662   3.238  1.00 21.14           C  
-ATOM  24576  C   ASP O 175     100.697   2.558   4.344  1.00 20.85           C  
-ATOM  24577  O   ASP O 175     101.027   2.627   5.527  1.00 20.37           O  
-ATOM  24578  CB  ASP O 175     102.264   1.249   2.947  1.00 21.76           C  
-ATOM  24579  CG  ASP O 175     101.499   0.549   1.835  1.00 24.32           C  
-ATOM  24580  OD1 ASP O 175     100.403   1.030   1.434  1.00 26.37           O  
-ATOM  24581  OD2 ASP O 175     101.935  -0.488   1.295  1.00 27.71           O  
-ATOM  24582  N   VAL O 176      99.449   2.377   3.935  1.00 21.40           N  
-ATOM  24583  CA  VAL O 176      98.346   2.077   4.848  1.00 21.98           C  
-ATOM  24584  C   VAL O 176      97.599   0.859   4.313  1.00 22.71           C  
-ATOM  24585  O   VAL O 176      97.152   0.868   3.172  1.00 23.05           O  
-ATOM  24586  CB  VAL O 176      97.365   3.276   4.999  1.00 21.94           C  
-ATOM  24587  CG1 VAL O 176      96.240   2.947   5.999  1.00 21.07           C  
-ATOM  24588  CG2 VAL O 176      98.105   4.539   5.413  1.00 20.84           C  
-ATOM  24589  N   THR O 177      97.504  -0.195   5.123  1.00 23.29           N  
-ATOM  24590  CA  THR O 177      96.733  -1.380   4.751  1.00 23.97           C  
-ATOM  24591  C   THR O 177      95.731  -1.716   5.825  1.00 23.75           C  
-ATOM  24592  O   THR O 177      95.930  -1.406   6.988  1.00 23.56           O  
-ATOM  24593  CB  THR O 177      97.615  -2.620   4.468  1.00 24.21           C  
-ATOM  24594  OG1 THR O 177      98.509  -2.849   5.568  1.00 25.40           O  
-ATOM  24595  CG2 THR O 177      98.547  -2.385   3.302  1.00 24.84           C  
-ATOM  24596  N   GLN O 178      94.651  -2.360   5.412  1.00 23.77           N  
-ATOM  24597  CA  GLN O 178      93.602  -2.811   6.318  1.00 24.51           C  
-ATOM  24598  C   GLN O 178      93.472  -4.314   6.244  1.00 23.86           C  
-ATOM  24599  O   GLN O 178      93.769  -4.925   5.203  1.00 23.20           O  
-ATOM  24600  CB  GLN O 178      92.249  -2.166   5.990  1.00 25.29           C  
-ATOM  24601  CG  GLN O 178      92.264  -1.219   4.783  1.00 29.66           C  
-ATOM  24602  CD  GLN O 178      92.036   0.230   5.163  1.00 35.79           C  
-ATOM  24603  OE1 GLN O 178      91.053   0.576   5.882  1.00 38.04           O  
-ATOM  24604  NE2 GLN O 178      92.928   1.102   4.675  1.00 36.84           N  
-ATOM  24605  N   LYS O 179      93.043  -4.882   7.369  1.00 22.86           N  
-ATOM  24606  CA  LYS O 179      92.746  -6.296   7.545  1.00 23.03           C  
-ATOM  24607  C   LYS O 179      91.468  -6.279   8.359  1.00 22.44           C  
-ATOM  24608  O   LYS O 179      91.213  -5.321   9.117  1.00 22.80           O  
-ATOM  24609  CB  LYS O 179      93.846  -6.931   8.393  1.00 23.34           C  
-ATOM  24610  CG  LYS O 179      94.146  -8.386   8.118  1.00 25.99           C  
-ATOM  24611  CD  LYS O 179      95.506  -8.749   8.723  1.00 28.26           C  
-ATOM  24612  CE  LYS O 179      95.483 -10.096   9.447  1.00 28.93           C  
-ATOM  24613  NZ  LYS O 179      96.879 -10.594   9.697  1.00 30.62           N  
-ATOM  24614  N   LYS O 180      90.633  -7.289   8.220  1.00 20.81           N  
-ATOM  24615  CA  LYS O 180      89.540  -7.388   9.169  1.00 20.35           C  
-ATOM  24616  C   LYS O 180      89.675  -8.693   9.932  1.00 19.21           C  
-ATOM  24617  O   LYS O 180      90.170  -9.681   9.380  1.00 18.59           O  
-ATOM  24618  CB  LYS O 180      88.160  -7.192   8.508  1.00 21.00           C  
-ATOM  24619  CG  LYS O 180      87.748  -8.260   7.531  1.00 22.16           C  
-ATOM  24620  CD  LYS O 180      86.253  -8.181   7.188  1.00 25.00           C  
-ATOM  24621  CE  LYS O 180      85.375  -8.630   8.378  1.00 28.20           C  
-ATOM  24622  NZ  LYS O 180      83.864  -8.641   8.075  1.00 29.12           N  
-ATOM  24623  N   ASN O 181      89.341  -8.653  11.219  1.00 17.69           N  
-ATOM  24624  CA  ASN O 181      89.368  -9.843  12.042  1.00 17.23           C  
-ATOM  24625  C   ASN O 181      88.044  -9.996  12.728  1.00 16.82           C  
-ATOM  24626  O   ASN O 181      87.202  -9.090  12.709  1.00 15.66           O  
-ATOM  24627  CB  ASN O 181      90.480  -9.802  13.084  1.00 17.20           C  
-ATOM  24628  CG  ASN O 181      91.824  -9.512  12.480  1.00 18.63           C  
-ATOM  24629  OD1 ASN O 181      92.611 -10.415  12.257  1.00 19.09           O  
-ATOM  24630  ND2 ASN O 181      92.101  -8.230  12.218  1.00 21.96           N  
-ATOM  24631  N   SER O 182      87.841 -11.177  13.285  1.00 16.32           N  
-ATOM  24632  CA  SER O 182      86.704 -11.434  14.122  1.00 16.52           C  
-ATOM  24633  C   SER O 182      87.123 -12.404  15.216  1.00 16.69           C  
-ATOM  24634  O   SER O 182      87.654 -13.511  14.945  1.00 17.77           O  
-ATOM  24635  CB  SER O 182      85.538 -11.950  13.305  1.00 15.70           C  
-ATOM  24636  OG  SER O 182      84.406 -12.000  14.147  1.00 17.84           O  
-ATOM  24637  N   VAL O 183      86.869 -11.992  16.446  1.00 16.40           N  
-ATOM  24638  CA  VAL O 183      87.531 -12.560  17.605  1.00 16.59           C  
-ATOM  24639  C   VAL O 183      86.511 -12.777  18.700  1.00 16.53           C  
-ATOM  24640  O   VAL O 183      85.586 -11.982  18.874  1.00 16.97           O  
-ATOM  24641  CB  VAL O 183      88.667 -11.594  18.146  1.00 17.45           C  
-ATOM  24642  CG1 VAL O 183      89.375 -12.203  19.358  1.00 15.91           C  
-ATOM  24643  CG2 VAL O 183      89.688 -11.233  17.033  1.00 16.78           C  
-ATOM  24644  N   THR O 184      86.724 -13.838  19.456  1.00 16.48           N  
-ATOM  24645  CA  THR O 184      85.944 -14.172  20.635  1.00 17.21           C  
-ATOM  24646  C   THR O 184      86.737 -13.761  21.898  1.00 17.47           C  
-ATOM  24647  O   THR O 184      87.927 -14.063  22.013  1.00 16.95           O  
-ATOM  24648  CB  THR O 184      85.637 -15.698  20.596  1.00 17.72           C  
-ATOM  24649  OG1 THR O 184      84.581 -15.930  19.642  1.00 17.02           O  
-ATOM  24650  CG2 THR O 184      85.055 -16.173  21.916  1.00 18.45           C  
-ATOM  24651  N   TYR O 185      86.089 -13.051  22.825  1.00 17.84           N  
-ATOM  24652  CA  TYR O 185      86.749 -12.586  24.052  1.00 18.00           C  
-ATOM  24653  C   TYR O 185      86.321 -13.439  25.224  1.00 18.94           C  
-ATOM  24654  O   TYR O 185      85.306 -14.123  25.145  1.00 19.36           O  
-ATOM  24655  CB  TYR O 185      86.471 -11.091  24.297  1.00 17.32           C  
-ATOM  24656  CG  TYR O 185      87.042 -10.274  23.194  1.00 15.47           C  
-ATOM  24657  CD1 TYR O 185      88.407  -9.987  23.150  1.00 16.68           C  
-ATOM  24658  CD2 TYR O 185      86.250  -9.855  22.146  1.00 12.77           C  
-ATOM  24659  CE1 TYR O 185      88.950  -9.275  22.113  1.00 13.88           C  
-ATOM  24660  CE2 TYR O 185      86.774  -9.130  21.106  1.00  9.50           C  
-ATOM  24661  CZ  TYR O 185      88.115  -8.836  21.096  1.00 12.92           C  
-ATOM  24662  OH  TYR O 185      88.635  -8.119  20.043  1.00 12.54           O  
-ATOM  24663  N   SER O 186      87.124 -13.425  26.288  1.00 19.74           N  
-ATOM  24664  CA  SER O 186      86.923 -14.284  27.462  1.00 20.11           C  
-ATOM  24665  C   SER O 186      85.602 -14.001  28.141  1.00 20.36           C  
-ATOM  24666  O   SER O 186      85.037 -14.869  28.817  1.00 19.48           O  
-ATOM  24667  CB  SER O 186      88.041 -14.033  28.475  1.00 20.21           C  
-ATOM  24668  OG  SER O 186      89.311 -14.090  27.845  1.00 21.80           O  
-ATOM  24669  N   CYS O 187      85.131 -12.767  27.958  1.00 20.54           N  
-ATOM  24670  CA  CYS O 187      83.979 -12.240  28.666  1.00 21.83           C  
-ATOM  24671  C   CYS O 187      82.659 -12.794  28.138  1.00 22.42           C  
-ATOM  24672  O   CYS O 187      81.693 -12.924  28.885  1.00 23.88           O  
-ATOM  24673  CB  CYS O 187      83.951 -10.725  28.475  1.00 22.33           C  
-ATOM  24674  SG  CYS O 187      83.470 -10.225  26.790  1.00 22.47           S  
-ATOM  24675  N   CYS O 188      82.616 -13.083  26.840  1.00 22.04           N  
-ATOM  24676  CA  CYS O 188      81.367 -13.252  26.123  1.00 22.02           C  
-ATOM  24677  C   CYS O 188      81.494 -14.343  25.056  1.00 20.89           C  
-ATOM  24678  O   CYS O 188      82.587 -14.560  24.537  1.00 21.03           O  
-ATOM  24679  CB  CYS O 188      80.974 -11.891  25.487  1.00 22.49           C  
-ATOM  24680  SG  CYS O 188      81.427 -10.425  26.481  1.00 25.97           S  
-ATOM  24681  N   PRO O 189      80.406 -15.037  24.715  1.00 20.11           N  
-ATOM  24682  CA  PRO O 189      80.533 -16.226  23.844  1.00 20.56           C  
-ATOM  24683  C   PRO O 189      80.634 -15.903  22.342  1.00 20.66           C  
-ATOM  24684  O   PRO O 189      81.182 -16.696  21.568  1.00 21.02           O  
-ATOM  24685  CB  PRO O 189      79.266 -17.064  24.169  1.00 19.99           C  
-ATOM  24686  CG  PRO O 189      78.222 -16.012  24.704  1.00 20.81           C  
-ATOM  24687  CD  PRO O 189      79.008 -14.768  25.108  1.00 19.65           C  
-ATOM  24688  N   GLU O 190      80.134 -14.736  21.951  1.00 20.76           N  
-ATOM  24689  CA  GLU O 190      79.995 -14.377  20.548  1.00 20.69           C  
-ATOM  24690  C   GLU O 190      81.300 -13.778  20.036  1.00 19.17           C  
-ATOM  24691  O   GLU O 190      82.130 -13.361  20.816  1.00 19.93           O  
-ATOM  24692  CB  GLU O 190      78.824 -13.383  20.367  1.00 21.40           C  
-ATOM  24693  CG  GLU O 190      77.508 -13.764  21.071  1.00 25.40           C  
-ATOM  24694  CD  GLU O 190      76.421 -14.389  20.144  1.00 31.64           C  
-ATOM  24695  OE1 GLU O 190      75.232 -14.528  20.597  1.00 30.53           O  
-ATOM  24696  OE2 GLU O 190      76.732 -14.770  18.972  1.00 33.63           O  
-ATOM  24697  N   ALA O 191      81.476 -13.745  18.723  1.00 17.41           N  
-ATOM  24698  CA  ALA O 191      82.625 -13.115  18.085  1.00 16.54           C  
-ATOM  24699  C   ALA O 191      82.346 -11.641  17.754  1.00 15.89           C  
-ATOM  24700  O   ALA O 191      81.228 -11.312  17.344  1.00 14.76           O  
-ATOM  24701  CB  ALA O 191      82.970 -13.867  16.816  1.00 16.46           C  
-ATOM  24702  N   TYR O 192      83.373 -10.799  17.905  1.00 15.52           N  
-ATOM  24703  CA  TYR O 192      83.320  -9.348  17.641  1.00 16.33           C  
-ATOM  24704  C   TYR O 192      84.232  -8.964  16.490  1.00 16.79           C  
-ATOM  24705  O   TYR O 192      85.389  -9.376  16.433  1.00 16.92           O  
-ATOM  24706  CB  TYR O 192      83.722  -8.536  18.879  1.00 15.38           C  
-ATOM  24707  CG  TYR O 192      82.749  -8.710  20.010  1.00 16.05           C  
-ATOM  24708  CD1 TYR O 192      82.798  -9.844  20.835  1.00 16.03           C  
-ATOM  24709  CD2 TYR O 192      81.749  -7.779  20.238  1.00 14.89           C  
-ATOM  24710  CE1 TYR O 192      81.880 -10.014  21.876  1.00 16.69           C  
-ATOM  24711  CE2 TYR O 192      80.846  -7.940  21.263  1.00 15.73           C  
-ATOM  24712  CZ  TYR O 192      80.918  -9.056  22.085  1.00 16.42           C  
-ATOM  24713  OH  TYR O 192      80.003  -9.211  23.095  1.00 17.54           O  
-ATOM  24714  N   GLU O 193      83.708  -8.180  15.562  1.00 17.25           N  
-ATOM  24715  CA  GLU O 193      84.497  -7.848  14.402  1.00 18.08           C  
-ATOM  24716  C   GLU O 193      85.339  -6.597  14.618  1.00 18.75           C  
-ATOM  24717  O   GLU O 193      84.934  -5.643  15.319  1.00 17.83           O  
-ATOM  24718  CB  GLU O 193      83.615  -7.714  13.164  1.00 18.31           C  
-ATOM  24719  CG  GLU O 193      82.916  -9.011  12.765  1.00 17.93           C  
-ATOM  24720  CD  GLU O 193      82.304  -8.964  11.369  1.00 19.84           C  
-ATOM  24721  OE1 GLU O 193      82.556  -7.988  10.630  1.00 19.84           O  
-ATOM  24722  OE2 GLU O 193      81.611  -9.949  10.965  1.00 21.47           O  
-ATOM  24723  N   ASP O 194      86.517  -6.592  14.000  1.00 19.37           N  
-ATOM  24724  CA  ASP O 194      87.338  -5.403  14.035  1.00 20.19           C  
-ATOM  24725  C   ASP O 194      88.023  -5.170  12.703  1.00 20.07           C  
-ATOM  24726  O   ASP O 194      88.208  -6.098  11.911  1.00 19.13           O  
-ATOM  24727  CB  ASP O 194      88.354  -5.462  15.179  1.00 20.85           C  
-ATOM  24728  CG  ASP O 194      89.431  -6.523  14.971  1.00 24.87           C  
-ATOM  24729  OD1 ASP O 194      90.319  -6.318  14.091  1.00 28.06           O  
-ATOM  24730  OD2 ASP O 194      89.473  -7.599  15.650  1.00 29.23           O  
-ATOM  24731  N   VAL O 195      88.384  -3.902  12.450  1.00 19.59           N  
-ATOM  24732  CA  VAL O 195      89.333  -3.631  11.392  1.00 19.67           C  
-ATOM  24733  C   VAL O 195      90.681  -3.303  12.031  1.00 19.20           C  
-ATOM  24734  O   VAL O 195      90.748  -2.553  13.012  1.00 18.74           O  
-ATOM  24735  CB  VAL O 195      88.832  -2.528  10.430  1.00 19.99           C  
-ATOM  24736  CG1 VAL O 195      89.875  -2.199   9.373  1.00 20.62           C  
-ATOM  24737  CG2 VAL O 195      87.562  -2.980   9.777  1.00 20.90           C  
-ATOM  24738  N   GLU O 196      91.735  -3.912  11.505  1.00 18.77           N  
-ATOM  24739  CA  GLU O 196      93.091  -3.530  11.849  1.00 19.31           C  
-ATOM  24740  C   GLU O 196      93.688  -2.690  10.733  1.00 18.83           C  
-ATOM  24741  O   GLU O 196      93.832  -3.169   9.604  1.00 18.36           O  
-ATOM  24742  CB  GLU O 196      93.991  -4.736  12.107  1.00 19.36           C  
-ATOM  24743  CG  GLU O 196      93.945  -5.204  13.564  1.00 23.39           C  
-ATOM  24744  CD  GLU O 196      94.598  -6.558  13.805  1.00 27.93           C  
-ATOM  24745  OE1 GLU O 196      95.241  -7.123  12.859  1.00 28.45           O  
-ATOM  24746  OE2 GLU O 196      94.466  -7.046  14.961  1.00 28.60           O  
-ATOM  24747  N   VAL O 197      94.057  -1.458  11.092  1.00 18.17           N  
-ATOM  24748  CA  VAL O 197      94.667  -0.513  10.174  1.00 17.72           C  
-ATOM  24749  C   VAL O 197      96.168  -0.467  10.457  1.00 17.53           C  
-ATOM  24750  O   VAL O 197      96.606  -0.092  11.560  1.00 17.17           O  
-ATOM  24751  CB  VAL O 197      94.031   0.898  10.306  1.00 17.95           C  
-ATOM  24752  CG1 VAL O 197      94.690   1.869   9.332  1.00 17.32           C  
-ATOM  24753  CG2 VAL O 197      92.520   0.828  10.058  1.00 18.13           C  
-ATOM  24754  N   SER O 198      96.954  -0.867   9.461  1.00 17.05           N  
-ATOM  24755  CA  SER O 198      98.402  -0.805   9.587  1.00 17.62           C  
-ATOM  24756  C   SER O 198      98.978   0.456   8.940  1.00 17.27           C  
-ATOM  24757  O   SER O 198      98.894   0.636   7.727  1.00 17.20           O  
-ATOM  24758  CB  SER O 198      99.038  -2.063   8.989  1.00 17.55           C  
-ATOM  24759  OG  SER O 198      98.661  -3.171   9.772  1.00 19.68           O  
-ATOM  24760  N   LEU O 199      99.545   1.325   9.763  1.00 16.99           N  
-ATOM  24761  CA  LEU O 199     100.154   2.555   9.293  1.00 16.92           C  
-ATOM  24762  C   LEU O 199     101.671   2.380   9.229  1.00 16.53           C  
-ATOM  24763  O   LEU O 199     102.307   2.239  10.259  1.00 16.72           O  
-ATOM  24764  CB  LEU O 199      99.779   3.698  10.237  1.00 17.13           C  
-ATOM  24765  CG  LEU O 199     100.507   5.048  10.075  1.00 18.24           C  
-ATOM  24766  CD1 LEU O 199     100.146   5.690   8.742  1.00 18.32           C  
-ATOM  24767  CD2 LEU O 199     100.152   5.980  11.245  1.00 18.72           C  
-ATOM  24768  N   ASN O 200     102.229   2.358   8.019  1.00 16.20           N  
-ATOM  24769  CA  ASN O 200     103.667   2.196   7.784  1.00 15.71           C  
-ATOM  24770  C   ASN O 200     104.209   3.604   7.508  1.00 15.33           C  
-ATOM  24771  O   ASN O 200     103.802   4.262   6.538  1.00 14.92           O  
-ATOM  24772  CB  ASN O 200     103.938   1.217   6.615  1.00 15.80           C  
-ATOM  24773  CG  ASN O 200     105.470   0.950   6.348  1.00 17.11           C  
-ATOM  24774  OD1 ASN O 200     105.881   0.725   5.214  1.00 17.86           O  
-ATOM  24775  ND2 ASN O 200     106.277   0.943   7.389  1.00 18.18           N  
-ATOM  24776  N   PHE O 201     105.068   4.084   8.403  1.00 14.42           N  
-ATOM  24777  CA  PHE O 201     105.519   5.473   8.385  1.00 14.05           C  
-ATOM  24778  C   PHE O 201     106.962   5.596   8.895  1.00 13.60           C  
-ATOM  24779  O   PHE O 201     107.440   4.705   9.619  1.00 13.24           O  
-ATOM  24780  CB  PHE O 201     104.576   6.366   9.201  1.00 14.31           C  
-ATOM  24781  CG  PHE O 201     104.716   6.202  10.697  1.00 15.49           C  
-ATOM  24782  CD1 PHE O 201     104.205   5.079  11.339  1.00 15.54           C  
-ATOM  24783  CD2 PHE O 201     105.390   7.161  11.454  1.00 15.93           C  
-ATOM  24784  CE1 PHE O 201     104.356   4.908  12.727  1.00 16.27           C  
-ATOM  24785  CE2 PHE O 201     105.551   7.000  12.827  1.00 16.22           C  
-ATOM  24786  CZ  PHE O 201     105.027   5.874  13.468  1.00 16.50           C  
-ATOM  24787  N   ARG O 202     107.648   6.664   8.474  1.00 11.78           N  
-ATOM  24788  CA  ARG O 202     108.988   6.959   8.962  1.00 12.46           C  
-ATOM  24789  C   ARG O 202     109.262   8.468   9.137  1.00 12.26           C  
-ATOM  24790  O   ARG O 202     108.568   9.317   8.566  1.00 12.90           O  
-ATOM  24791  CB  ARG O 202     110.054   6.337   8.048  1.00 12.21           C  
-ATOM  24792  CG  ARG O 202     109.906   6.707   6.578  1.00 12.70           C  
-ATOM  24793  CD  ARG O 202     111.171   6.496   5.745  1.00 14.15           C  
-ATOM  24794  NE  ARG O 202     111.096   7.257   4.509  1.00 14.69           N  
-ATOM  24795  CZ  ARG O 202     111.440   6.808   3.291  1.00 16.49           C  
-ATOM  24796  NH1 ARG O 202     111.916   5.568   3.109  1.00 14.40           N  
-ATOM  24797  NH2 ARG O 202     111.316   7.626   2.245  1.00 14.24           N  
-ATOM  24798  N   LYS O 203     110.268   8.788   9.934  1.00 11.77           N  
-ATOM  24799  CA  LYS O 203     110.782  10.155  10.034  1.00 12.40           C  
-ATOM  24800  C   LYS O 203     111.528  10.510   8.741  1.00 11.70           C  
-ATOM  24801  O   LYS O 203     112.363   9.730   8.277  1.00 11.98           O  
-ATOM  24802  CB  LYS O 203     111.710  10.238  11.256  1.00 13.02           C  
-ATOM  24803  CG  LYS O 203     112.510  11.522  11.439  1.00 14.55           C  
-ATOM  24804  CD  LYS O 203     112.436  12.007  12.904  1.00 18.57           C  
-ATOM  24805  CE  LYS O 203     113.502  13.081  13.259  1.00 19.69           C  
-ATOM  24806  NZ  LYS O 203     114.934  12.751  12.921  1.00 19.98           N  
-ATOM  24807  N   LYS O 204     111.218  11.656   8.135  1.00 11.23           N  
-ATOM  24808  CA  LYS O 204     112.049  12.170   7.036  1.00 11.21           C  
-ATOM  24809  C   LYS O 204     113.462  12.495   7.514  1.00 11.25           C  
-ATOM  24810  O   LYS O 204     113.669  12.780   8.689  1.00 10.76           O  
-ATOM  24811  CB  LYS O 204     111.457  13.438   6.435  1.00 11.19           C  
-ATOM  24812  CG  LYS O 204     109.992  13.401   6.169  1.00 12.13           C  
-ATOM  24813  CD  LYS O 204     109.453  14.803   6.086  1.00 11.98           C  
-ATOM  24814  CE  LYS O 204     108.058  14.794   5.518  1.00 13.56           C  
-ATOM  24815  NZ  LYS O 204     107.542  16.185   5.328  1.00 14.68           N  
-ATOM  24816  N   GLY O 205     114.425  12.481   6.588  1.00 12.03           N  
-ATOM  24817  CA  GLY O 205     115.814  12.779   6.897  1.00 11.78           C  
-ATOM  24818  C   GLY O 205     116.595  13.350   5.722  1.00 12.52           C  
-ATOM  24819  O   GLY O 205     116.116  13.198   4.164  1.00 20.00           O  
-TER   24820      GLY O 205                                                      
-ATOM  24821  N   GLU P   0      55.378 214.942  97.294  1.00 18.69           N  
-ATOM  24822  CA  GLU P   0      56.498 214.011  96.886  1.00 20.46           C  
-ATOM  24823  C   GLU P   0      56.824 213.933  95.380  1.00 20.54           C  
-ATOM  24824  O   GLU P   0      56.068 213.428  94.536  1.00 20.00           O  
-ATOM  24825  CB  GLU P   0      56.361 212.572  97.471  1.00 19.45           C  
-ATOM  24826  CG  GLU P   0      56.893 211.492  96.525  1.00 20.61           C  
-ATOM  24827  CD  GLU P   0      57.800 210.430  97.166  1.00 24.32           C  
-ATOM  24828  OE1 GLU P   0      57.322 209.648  98.045  1.00 23.00           O  
-ATOM  24829  OE2 GLU P   0      58.997 210.347  96.757  1.00 24.89           O  
-ATOM  24830  N   PHE P   1      58.004 214.425  95.075  1.00 22.42           N  
-ATOM  24831  CA  PHE P   1      58.529 214.409  93.736  1.00 22.33           C  
-ATOM  24832  C   PHE P   1      59.657 213.425  93.740  1.00 21.76           C  
-ATOM  24833  O   PHE P   1      60.403 213.346  94.698  1.00 21.93           O  
-ATOM  24834  CB  PHE P   1      59.121 215.768  93.390  1.00 22.64           C  
-ATOM  24835  CG  PHE P   1      58.190 216.916  93.592  1.00 24.51           C  
-ATOM  24836  CD1 PHE P   1      57.102 217.122  92.738  1.00 26.28           C  
-ATOM  24837  CD2 PHE P   1      58.429 217.827  94.611  1.00 25.87           C  
-ATOM  24838  CE1 PHE P   1      56.253 218.236  92.902  1.00 27.90           C  
-ATOM  24839  CE2 PHE P   1      57.595 218.934  94.792  1.00 26.96           C  
-ATOM  24840  CZ  PHE P   1      56.499 219.136  93.932  1.00 28.29           C  
-ATOM  24841  N   ASP P   2      59.795 212.661  92.674  1.00 20.93           N  
-ATOM  24842  CA  ASP P   2      61.014 211.896  92.504  1.00 20.25           C  
-ATOM  24843  C   ASP P   2      61.995 212.689  91.637  1.00 19.38           C  
-ATOM  24844  O   ASP P   2      61.651 213.752  91.123  1.00 18.68           O  
-ATOM  24845  CB  ASP P   2      60.727 210.496  91.957  1.00 20.76           C  
-ATOM  24846  CG  ASP P   2      60.143 210.504  90.555  1.00 21.92           C  
-ATOM  24847  OD1 ASP P   2      60.236 211.528  89.832  1.00 22.68           O  
-ATOM  24848  OD2 ASP P   2      59.582 209.488  90.088  1.00 23.97           O  
-ATOM  24849  N   ARG P   3      63.214 212.176  91.507  1.00 18.47           N  
-ATOM  24850  CA  ARG P   3      64.267 212.837  90.769  1.00 17.83           C  
-ATOM  24851  C   ARG P   3      63.840 213.185  89.357  1.00 17.19           C  
-ATOM  24852  O   ARG P   3      64.147 214.271  88.875  1.00 17.03           O  
-ATOM  24853  CB  ARG P   3      65.521 211.971  90.710  1.00 18.24           C  
-ATOM  24854  CG  ARG P   3      66.502 212.214  91.819  1.00 18.82           C  
-ATOM  24855  CD  ARG P   3      67.425 211.032  92.071  1.00 19.24           C  
-ATOM  24856  NE  ARG P   3      68.239 211.290  93.247  1.00 22.34           N  
-ATOM  24857  CZ  ARG P   3      68.021 210.775  94.449  1.00 25.72           C  
-ATOM  24858  NH1 ARG P   3      67.014 209.913  94.642  1.00 27.42           N  
-ATOM  24859  NH2 ARG P   3      68.820 211.116  95.454  1.00 26.08           N  
-ATOM  24860  N   ALA P   4      63.139 212.272  88.700  1.00 15.90           N  
-ATOM  24861  CA  ALA P   4      62.611 212.544  87.363  1.00 15.85           C  
-ATOM  24862  C   ALA P   4      61.707 213.799  87.308  1.00 15.58           C  
-ATOM  24863  O   ALA P   4      61.804 214.587  86.383  1.00 15.08           O  
-ATOM  24864  CB  ALA P   4      61.864 211.312  86.813  1.00 15.34           C  
-ATOM  24865  N   ASP P   5      60.815 213.932  88.287  1.00 15.55           N  
-ATOM  24866  CA  ASP P   5      59.892 215.059  88.381  1.00 16.58           C  
-ATOM  24867  C   ASP P   5      60.649 216.348  88.617  1.00 15.75           C  
-ATOM  24868  O   ASP P   5      60.432 217.326  87.923  1.00 15.79           O  
-ATOM  24869  CB  ASP P   5      58.889 214.853  89.516  1.00 17.33           C  
-ATOM  24870  CG  ASP P   5      57.936 213.709  89.258  1.00 20.59           C  
-ATOM  24871  OD1 ASP P   5      57.670 213.351  88.099  1.00 23.67           O  
-ATOM  24872  OD2 ASP P   5      57.386 213.094  90.190  1.00 25.45           O  
-ATOM  24873  N   ILE P   6      61.569 216.333  89.579  1.00 15.32           N  
-ATOM  24874  CA  ILE P   6      62.395 217.507  89.843  1.00 14.70           C  
-ATOM  24875  C   ILE P   6      63.131 217.939  88.562  1.00 14.66           C  
-ATOM  24876  O   ILE P   6      63.155 219.135  88.191  1.00 13.48           O  
-ATOM  24877  CB  ILE P   6      63.380 217.246  91.017  1.00 14.72           C  
-ATOM  24878  CG1 ILE P   6      62.631 216.999  92.329  1.00 13.89           C  
-ATOM  24879  CG2 ILE P   6      64.348 218.422  91.212  1.00 13.80           C  
-ATOM  24880  CD1 ILE P   6      63.423 216.182  93.357  1.00 12.88           C  
-ATOM  24881  N   LEU P   7      63.754 216.971  87.889  1.00 14.83           N  
-ATOM  24882  CA  LEU P   7      64.573 217.323  86.731  1.00 15.80           C  
-ATOM  24883  C   LEU P   7      63.735 217.805  85.539  1.00 15.43           C  
-ATOM  24884  O   LEU P   7      64.134 218.693  84.826  1.00 15.26           O  
-ATOM  24885  CB  LEU P   7      65.528 216.187  86.357  1.00 16.00           C  
-ATOM  24886  CG  LEU P   7      66.684 216.085  87.348  1.00 17.66           C  
-ATOM  24887  CD1 LEU P   7      67.207 214.663  87.440  1.00 19.09           C  
-ATOM  24888  CD2 LEU P   7      67.801 217.029  86.987  1.00 19.26           C  
-ATOM  24889  N   TYR P   8      62.556 217.225  85.375  1.00 15.83           N  
-ATOM  24890  CA  TYR P   8      61.599 217.645  84.392  1.00 16.74           C  
-ATOM  24891  C   TYR P   8      61.142 219.069  84.683  1.00 16.55           C  
-ATOM  24892  O   TYR P   8      61.138 219.922  83.779  1.00 16.07           O  
-ATOM  24893  CB  TYR P   8      60.406 216.699  84.414  1.00 17.65           C  
-ATOM  24894  CG  TYR P   8      59.295 217.054  83.446  1.00 21.11           C  
-ATOM  24895  CD1 TYR P   8      59.462 216.893  82.066  1.00 24.45           C  
-ATOM  24896  CD2 TYR P   8      58.060 217.535  83.912  1.00 23.26           C  
-ATOM  24897  CE1 TYR P   8      58.421 217.207  81.173  1.00 26.22           C  
-ATOM  24898  CE2 TYR P   8      57.021 217.848  83.023  1.00 25.45           C  
-ATOM  24899  CZ  TYR P   8      57.218 217.689  81.668  1.00 26.68           C  
-ATOM  24900  OH  TYR P   8      56.212 218.000  80.788  1.00 28.65           O  
-ATOM  24901  N   ASN P   9      60.770 219.345  85.937  1.00 16.19           N  
-ATOM  24902  CA  ASN P   9      60.320 220.706  86.274  1.00 16.91           C  
-ATOM  24903  C   ASN P   9      61.380 221.736  86.031  1.00 16.14           C  
-ATOM  24904  O   ASN P   9      61.106 222.748  85.434  1.00 15.95           O  
-ATOM  24905  CB  ASN P   9      59.724 220.809  87.677  1.00 16.71           C  
-ATOM  24906  CG  ASN P   9      58.467 220.000  87.800  1.00 18.60           C  
-ATOM  24907  OD1 ASN P   9      57.900 219.581  86.784  1.00 19.79           O  
-ATOM  24908  ND2 ASN P   9      58.034 219.733  89.039  1.00 17.98           N  
-ATOM  24909  N   ILE P  10      62.610 221.438  86.426  1.00 16.55           N  
-ATOM  24910  CA  ILE P  10      63.734 222.324  86.157  1.00 16.31           C  
-ATOM  24911  C   ILE P  10      64.002 222.539  84.629  1.00 17.02           C  
-ATOM  24912  O   ILE P  10      64.143 223.695  84.168  1.00 16.29           O  
-ATOM  24913  CB  ILE P  10      65.009 221.809  86.839  1.00 16.55           C  
-ATOM  24914  CG1 ILE P  10      64.896 221.975  88.344  1.00 15.45           C  
-ATOM  24915  CG2 ILE P  10      66.263 222.593  86.263  1.00 16.04           C  
-ATOM  24916  CD1 ILE P  10      66.003 221.307  89.129  1.00 13.99           C  
-ATOM  24917  N   ARG P  11      64.107 221.442  83.877  1.00 15.72           N  
-ATOM  24918  CA  ARG P  11      64.379 221.507  82.443  1.00 16.66           C  
-ATOM  24919  C   ARG P  11      63.268 222.278  81.733  1.00 16.94           C  
-ATOM  24920  O   ARG P  11      63.550 223.200  80.937  1.00 14.84           O  
-ATOM  24921  CB  ARG P  11      64.441 220.109  81.847  1.00 17.03           C  
-ATOM  24922  CG  ARG P  11      65.030 220.008  80.438  1.00 20.52           C  
-ATOM  24923  CD  ARG P  11      65.405 218.519  80.058  1.00 28.81           C  
-ATOM  24924  NE  ARG P  11      64.350 217.615  80.499  1.00 32.50           N  
-ATOM  24925  CZ  ARG P  11      63.394 217.087  79.712  1.00 35.68           C  
-ATOM  24926  NH1 ARG P  11      63.373 217.320  78.399  1.00 37.36           N  
-ATOM  24927  NH2 ARG P  11      62.472 216.287  80.242  1.00 35.13           N  
-ATOM  24928  N   GLN P  12      62.020 221.912  82.068  1.00 16.50           N  
-ATOM  24929  CA  GLN P  12      60.828 222.423  81.402  1.00 17.15           C  
-ATOM  24930  C   GLN P  12      60.643 223.915  81.631  1.00 17.46           C  
-ATOM  24931  O   GLN P  12      60.182 224.624  80.724  1.00 17.89           O  
-ATOM  24932  CB  GLN P  12      59.587 221.649  81.855  1.00 18.07           C  
-ATOM  24933  CG  GLN P  12      59.344 220.352  81.115  1.00 18.94           C  
-ATOM  24934  CD  GLN P  12      60.021 220.298  79.746  1.00 24.94           C  
-ATOM  24935  OE1 GLN P  12      59.595 220.958  78.797  1.00 27.25           O  
-ATOM  24936  NE2 GLN P  12      61.093 219.531  79.657  1.00 28.54           N  
-ATOM  24937  N   THR P  13      61.008 224.400  82.820  1.00 17.07           N  
-ATOM  24938  CA  THR P  13      60.944 225.840  83.091  1.00 17.58           C  
-ATOM  24939  C   THR P  13      62.313 226.485  83.113  1.00 18.24           C  
-ATOM  24940  O   THR P  13      62.413 227.626  83.535  1.00 17.98           O  
-ATOM  24941  CB  THR P  13      60.250 226.173  84.443  1.00 16.99           C  
-ATOM  24942  OG1 THR P  13      60.942 225.494  85.494  1.00 17.49           O  
-ATOM  24943  CG2 THR P  13      58.822 225.607  84.488  1.00 15.41           C  
-ATOM  24944  N   SER P  14      63.354 225.785  82.636  1.00 18.70           N  
-ATOM  24945  CA  SER P  14      64.714 226.359  82.628  1.00 19.24           C  
-ATOM  24946  C   SER P  14      64.725 227.679  81.853  1.00 19.30           C  
-ATOM  24947  O   SER P  14      64.179 227.725  80.724  1.00 19.43           O  
-ATOM  24948  CB  SER P  14      65.695 225.386  81.991  1.00 19.10           C  
-ATOM  24949  OG  SER P  14      65.358 225.197  80.653  1.00 17.30           O  
-ATOM  24950  N   ARG P  15      65.268 228.741  82.478  1.00 18.22           N  
-ATOM  24951  CA  ARG P  15      65.559 230.009  81.767  1.00 17.73           C  
-ATOM  24952  C   ARG P  15      67.045 230.361  81.915  1.00 17.68           C  
-ATOM  24953  O   ARG P  15      67.402 231.286  82.651  1.00 17.26           O  
-ATOM  24954  CB  ARG P  15      64.700 231.141  82.312  1.00 16.83           C  
-ATOM  24955  CG  ARG P  15      63.227 231.035  81.915  1.00 16.07           C  
-ATOM  24956  CD  ARG P  15      62.986 231.273  80.416  1.00 15.14           C  
-ATOM  24957  NE  ARG P  15      63.466 232.577  79.925  1.00 13.74           N  
-ATOM  24958  CZ  ARG P  15      62.754 233.721  79.978  1.00 14.58           C  
-ATOM  24959  NH1 ARG P  15      61.512 233.725  80.459  1.00 12.28           N  
-ATOM  24960  NH2 ARG P  15      63.259 234.845  79.470  1.00  9.66           N  
-ATOM  24961  N   PRO P  16      67.900 229.657  81.182  1.00 17.19           N  
-ATOM  24962  CA  PRO P  16      69.340 229.756  81.422  1.00 17.50           C  
-ATOM  24963  C   PRO P  16      69.933 231.096  81.053  1.00 17.89           C  
-ATOM  24964  O   PRO P  16      71.129 231.274  81.278  1.00 16.33           O  
-ATOM  24965  CB  PRO P  16      69.946 228.682  80.495  1.00 18.67           C  
-ATOM  24966  CG  PRO P  16      68.767 227.843  79.954  1.00 17.51           C  
-ATOM  24967  CD  PRO P  16      67.573 228.773  80.043  1.00 17.21           C  
-ATOM  24968  N   ASP P  17      69.132 231.961  80.432  1.00 17.98           N  
-ATOM  24969  CA  ASP P  17      69.598 233.233  79.880  1.00 19.30           C  
-ATOM  24970  C   ASP P  17      69.260 234.300  80.915  1.00 18.17           C  
-ATOM  24971  O   ASP P  17      69.600 235.439  80.713  1.00 17.13           O  
-ATOM  24972  CB  ASP P  17      68.781 233.658  78.654  1.00 20.03           C  
-ATOM  24973  CG  ASP P  17      69.159 232.954  77.347  1.00 26.01           C  
-ATOM  24974  OD1 ASP P  17      70.249 232.325  77.211  1.00 31.93           O  
-ATOM  24975  OD2 ASP P  17      68.379 233.038  76.342  1.00 32.58           O  
-ATOM  24976  N   VAL P  18      68.559 233.930  81.993  1.00 17.71           N  
-ATOM  24977  CA  VAL P  18      67.986 234.938  82.895  1.00 17.32           C  
-ATOM  24978  C   VAL P  18      68.690 234.932  84.244  1.00 17.69           C  
-ATOM  24979  O   VAL P  18      68.554 233.975  85.025  1.00 17.08           O  
-ATOM  24980  CB  VAL P  18      66.466 234.754  83.090  1.00 17.29           C  
-ATOM  24981  CG1 VAL P  18      65.916 235.786  84.055  1.00 17.07           C  
-ATOM  24982  CG2 VAL P  18      65.740 234.813  81.733  1.00 16.12           C  
-ATOM  24983  N   ILE P  19      69.435 236.007  84.527  1.00 17.66           N  
-ATOM  24984  CA  ILE P  19      70.148 236.139  85.808  1.00 18.06           C  
-ATOM  24985  C   ILE P  19      69.117 236.131  86.967  1.00 19.11           C  
-ATOM  24986  O   ILE P  19      68.150 236.882  86.918  1.00 18.75           O  
-ATOM  24987  CB  ILE P  19      71.073 237.384  85.808  1.00 17.95           C  
-ATOM  24988  CG1 ILE P  19      71.827 237.498  87.123  1.00 17.35           C  
-ATOM  24989  CG2 ILE P  19      70.300 238.690  85.474  1.00 16.60           C  
-ATOM  24990  CD1 ILE P  19      72.888 238.503  87.130  1.00 15.83           C  
-ATOM  24991  N   PRO P  20      69.267 235.221  87.949  1.00 20.21           N  
-ATOM  24992  CA  PRO P  20      68.266 235.044  89.009  1.00 21.24           C  
-ATOM  24993  C   PRO P  20      68.384 236.138  90.048  1.00 22.82           C  
-ATOM  24994  O   PRO P  20      68.607 235.881  91.235  1.00 22.56           O  
-ATOM  24995  CB  PRO P  20      68.655 233.691  89.641  1.00 20.89           C  
-ATOM  24996  CG  PRO P  20      70.130 233.596  89.431  1.00 20.61           C  
-ATOM  24997  CD  PRO P  20      70.381 234.266  88.101  1.00 20.31           C  
-ATOM  24998  N   THR P  21      68.245 237.364  89.573  1.00 24.97           N  
-ATOM  24999  CA  THR P  21      68.223 238.538  90.419  1.00 27.34           C  
-ATOM  25000  C   THR P  21      66.966 238.523  91.319  1.00 29.03           C  
-ATOM  25001  O   THR P  21      65.848 238.276  90.835  1.00 29.47           O  
-ATOM  25002  CB  THR P  21      68.322 239.762  89.492  1.00 27.28           C  
-ATOM  25003  OG1 THR P  21      69.672 240.311  89.550  1.00 28.68           O  
-ATOM  25004  CG2 THR P  21      67.439 240.853  89.941  1.00 28.62           C  
-ATOM  25005  N   GLN P  22      67.162 238.733  92.632  1.00 31.50           N  
-ATOM  25006  CA  GLN P  22      66.062 238.872  93.609  1.00 33.80           C  
-ATOM  25007  C   GLN P  22      65.955 240.277  94.298  1.00 34.51           C  
-ATOM  25008  O   GLN P  22      66.864 240.713  95.010  1.00 34.75           O  
-ATOM  25009  CB  GLN P  22      66.081 237.709  94.637  1.00 34.30           C  
-ATOM  25010  CG  GLN P  22      67.324 237.610  95.577  1.00 36.62           C  
-ATOM  25011  CD  GLN P  22      67.493 236.208  96.247  1.00 39.04           C  
-ATOM  25012  OE1 GLN P  22      68.474 235.497  95.985  1.00 37.29           O  
-ATOM  25013  NE2 GLN P  22      66.549 235.836  97.118  1.00 38.15           N  
-ATOM  25014  N   ARG P  23      64.840 240.971  94.053  1.00 35.14           N  
-ATOM  25015  CA  ARG P  23      64.534 242.322  94.600  1.00 36.32           C  
-ATOM  25016  C   ARG P  23      65.604 243.413  94.292  1.00 36.15           C  
-ATOM  25017  O   ARG P  23      65.849 244.347  95.079  1.00 35.38           O  
-ATOM  25018  CB  ARG P  23      64.092 242.285  96.098  1.00 36.80           C  
-ATOM  25019  CG  ARG P  23      63.174 241.072  96.482  1.00 39.15           C  
-ATOM  25020  CD  ARG P  23      61.756 241.434  97.040  1.00 42.32           C  
-ATOM  25021  NE  ARG P  23      60.642 241.100  96.138  1.00 41.35           N  
-ATOM  25022  CZ  ARG P  23      59.429 241.672  96.169  1.00 44.42           C  
-ATOM  25023  NH1 ARG P  23      59.131 242.614  97.068  1.00 43.38           N  
-ATOM  25024  NH2 ARG P  23      58.493 241.297  95.300  1.00 45.32           N  
-ATOM  25025  N   ASP P  24      66.217 243.268  93.114  1.00 36.10           N  
-ATOM  25026  CA  ASP P  24      67.260 244.181  92.620  1.00 35.40           C  
-ATOM  25027  C   ASP P  24      68.624 244.074  93.321  1.00 33.47           C  
-ATOM  25028  O   ASP P  24      69.552 244.838  92.997  1.00 33.96           O  
-ATOM  25029  CB  ASP P  24      66.764 245.636  92.582  1.00 36.25           C  
-ATOM  25030  CG  ASP P  24      66.726 246.179  91.174  1.00 38.57           C  
-ATOM  25031  OD1 ASP P  24      67.670 246.933  90.813  1.00 39.01           O  
-ATOM  25032  OD2 ASP P  24      65.806 245.871  90.361  1.00 39.75           O  
-ATOM  25033  N   ARG P  25      68.739 243.139  94.268  1.00 30.66           N  
-ATOM  25034  CA  ARG P  25      70.029 242.755  94.844  1.00 27.88           C  
-ATOM  25035  C   ARG P  25      70.851 242.068  93.770  1.00 24.90           C  
-ATOM  25036  O   ARG P  25      70.313 241.304  92.974  1.00 24.45           O  
-ATOM  25037  CB  ARG P  25      69.832 241.781  96.016  1.00 28.66           C  
-ATOM  25038  CG  ARG P  25      69.559 242.432  97.378  1.00 31.65           C  
-ATOM  25039  CD  ARG P  25      68.557 241.662  98.275  1.00 36.79           C  
-ATOM  25040  NE  ARG P  25      67.490 242.533  98.802  1.00 40.86           N  
-ATOM  25041  CZ  ARG P  25      67.594 243.291  99.899  1.00 42.10           C  
-ATOM  25042  NH1 ARG P  25      68.714 243.287 100.615  1.00 42.37           N  
-ATOM  25043  NH2 ARG P  25      66.575 244.052 100.287  1.00 42.60           N  
-ATOM  25044  N   PRO P  26      72.154 242.292  93.759  1.00 22.52           N  
-ATOM  25045  CA  PRO P  26      73.039 241.503  92.898  1.00 21.07           C  
-ATOM  25046  C   PRO P  26      72.970 240.013  93.295  1.00 19.79           C  
-ATOM  25047  O   PRO P  26      72.758 239.708  94.462  1.00 18.84           O  
-ATOM  25048  CB  PRO P  26      74.437 242.065  93.187  1.00 21.22           C  
-ATOM  25049  CG  PRO P  26      74.301 242.883  94.496  1.00 21.59           C  
-ATOM  25050  CD  PRO P  26      72.866 243.290  94.588  1.00 22.36           C  
-ATOM  25051  N   VAL P  27      73.132 239.121  92.329  1.00 18.17           N  
-ATOM  25052  CA  VAL P  27      73.399 237.692  92.616  1.00 17.82           C  
-ATOM  25053  C   VAL P  27      74.784 237.572  93.264  1.00 17.14           C  
-ATOM  25054  O   VAL P  27      75.798 237.957  92.681  1.00 16.62           O  
-ATOM  25055  CB  VAL P  27      73.314 236.827  91.327  1.00 17.46           C  
-ATOM  25056  CG1 VAL P  27      73.671 235.345  91.589  1.00 17.60           C  
-ATOM  25057  CG2 VAL P  27      71.936 236.949  90.729  1.00 17.64           C  
-ATOM  25058  N   ALA P  28      74.812 237.093  94.501  1.00 16.64           N  
-ATOM  25059  CA  ALA P  28      76.081 236.845  95.189  1.00 16.17           C  
-ATOM  25060  C   ALA P  28      76.665 235.497  94.709  1.00 16.17           C  
-ATOM  25061  O   ALA P  28      76.096 234.423  94.991  1.00 15.47           O  
-ATOM  25062  CB  ALA P  28      75.880 236.834  96.693  1.00 15.58           C  
-ATOM  25063  N   VAL P  29      77.800 235.582  94.025  1.00 15.83           N  
-ATOM  25064  CA  VAL P  29      78.534 234.434  93.527  1.00 16.10           C  
-ATOM  25065  C   VAL P  29      79.838 234.269  94.298  1.00 17.46           C  
-ATOM  25066  O   VAL P  29      80.624 235.236  94.431  1.00 17.52           O  
-ATOM  25067  CB  VAL P  29      78.857 234.613  92.041  1.00 16.26           C  
-ATOM  25068  CG1 VAL P  29      79.690 233.448  91.536  1.00 15.07           C  
-ATOM  25069  CG2 VAL P  29      77.579 234.756  91.226  1.00 15.03           C  
-ATOM  25070  N   SER P  30      80.050 233.073  94.859  1.00 17.99           N  
-ATOM  25071  CA  SER P  30      81.294 232.726  95.513  1.00 18.97           C  
-ATOM  25072  C   SER P  30      82.151 231.928  94.544  1.00 19.45           C  
-ATOM  25073  O   SER P  30      81.650 231.060  93.813  1.00 19.24           O  
-ATOM  25074  CB  SER P  30      81.074 231.903  96.788  1.00 18.45           C  
-ATOM  25075  OG  SER P  30      80.133 232.527  97.631  1.00 21.57           O  
-ATOM  25076  N   VAL P  31      83.444 232.226  94.551  1.00 19.84           N  
-ATOM  25077  CA  VAL P  31      84.382 231.536  93.679  1.00 20.83           C  
-ATOM  25078  C   VAL P  31      85.611 231.220  94.471  1.00 21.14           C  
-ATOM  25079  O   VAL P  31      86.098 232.045  95.263  1.00 21.15           O  
-ATOM  25080  CB  VAL P  31      84.873 232.353  92.450  1.00 21.53           C  
-ATOM  25081  CG1 VAL P  31      85.309 231.349  91.310  1.00 21.33           C  
-ATOM  25082  CG2 VAL P  31      83.848 233.317  91.955  1.00 22.24           C  
-ATOM  25083  N   SER P  32      86.146 230.037  94.211  1.00 21.48           N  
-ATOM  25084  CA  SER P  32      87.331 229.564  94.899  1.00 22.60           C  
-ATOM  25085  C   SER P  32      88.018 228.620  93.949  1.00 22.49           C  
-ATOM  25086  O   SER P  32      87.356 227.839  93.270  1.00 22.58           O  
-ATOM  25087  CB  SER P  32      86.896 228.866  96.176  1.00 22.68           C  
-ATOM  25088  OG  SER P  32      87.970 228.232  96.819  1.00 27.64           O  
-ATOM  25089  N   LEU P  33      89.338 228.752  93.819  1.00 22.26           N  
-ATOM  25090  CA  LEU P  33      90.101 227.894  92.921  1.00 21.69           C  
-ATOM  25091  C   LEU P  33      90.836 226.864  93.772  1.00 21.62           C  
-ATOM  25092  O   LEU P  33      91.526 227.214  94.687  1.00 21.73           O  
-ATOM  25093  CB  LEU P  33      91.057 228.689  92.054  1.00 21.17           C  
-ATOM  25094  CG  LEU P  33      90.532 229.818  91.164  1.00 21.34           C  
-ATOM  25095  CD1 LEU P  33      91.645 230.256  90.233  1.00 19.56           C  
-ATOM  25096  CD2 LEU P  33      89.300 229.456  90.372  1.00 20.74           C  
-ATOM  25097  N   LYS P  34      90.630 225.582  93.507  1.00 21.13           N  
-ATOM  25098  CA  LYS P  34      91.409 224.554  94.193  1.00 20.36           C  
-ATOM  25099  C   LYS P  34      92.406 224.021  93.203  1.00 19.67           C  
-ATOM  25100  O   LYS P  34      92.040 223.333  92.263  1.00 19.70           O  
-ATOM  25101  CB  LYS P  34      90.532 223.404  94.689  1.00 21.17           C  
-ATOM  25102  CG  LYS P  34      89.221 223.803  95.333  1.00 23.28           C  
-ATOM  25103  CD  LYS P  34      89.459 224.275  96.756  1.00 27.42           C  
-ATOM  25104  CE  LYS P  34      88.201 225.005  97.262  1.00 30.44           C  
-ATOM  25105  NZ  LYS P  34      88.458 225.590  98.602  1.00 33.51           N  
-ATOM  25106  N   PHE P  35      93.669 224.355  93.395  1.00 18.58           N  
-ATOM  25107  CA  PHE P  35      94.684 224.032  92.411  1.00 17.56           C  
-ATOM  25108  C   PHE P  35      95.054 222.567  92.478  1.00 17.16           C  
-ATOM  25109  O   PHE P  35      95.328 222.026  93.561  1.00 16.76           O  
-ATOM  25110  CB  PHE P  35      95.898 224.941  92.630  1.00 17.28           C  
-ATOM  25111  CG  PHE P  35      95.642 226.371  92.257  1.00 17.36           C  
-ATOM  25112  CD1 PHE P  35      95.623 226.750  90.933  1.00 17.96           C  
-ATOM  25113  CD2 PHE P  35      95.390 227.333  93.237  1.00 18.30           C  
-ATOM  25114  CE1 PHE P  35      95.364 228.100  90.553  1.00 19.23           C  
-ATOM  25115  CE2 PHE P  35      95.140 228.682  92.885  1.00 17.78           C  
-ATOM  25116  CZ  PHE P  35      95.135 229.061  91.546  1.00 18.04           C  
-ATOM  25117  N   ILE P  36      95.044 221.914  91.320  1.00 16.57           N  
-ATOM  25118  CA  ILE P  36      95.321 220.474  91.272  1.00 16.14           C  
-ATOM  25119  C   ILE P  36      96.723 220.219  90.711  1.00 16.64           C  
-ATOM  25120  O   ILE P  36      97.417 219.287  91.130  1.00 15.55           O  
-ATOM  25121  CB  ILE P  36      94.245 219.744  90.429  1.00 16.03           C  
-ATOM  25122  CG1 ILE P  36      92.838 220.221  90.797  1.00 15.42           C  
-ATOM  25123  CG2 ILE P  36      94.378 218.172  90.546  1.00 14.93           C  
-ATOM  25124  CD1 ILE P  36      92.434 220.019  92.273  1.00 13.98           C  
-ATOM  25125  N   ASN P  37      97.122 221.048  89.747  1.00 16.64           N  
-ATOM  25126  CA  ASN P  37      98.391 220.841  89.075  1.00 18.21           C  
-ATOM  25127  C   ASN P  37      98.871 222.053  88.349  1.00 18.74           C  
-ATOM  25128  O   ASN P  37      98.076 222.866  87.885  1.00 19.05           O  
-ATOM  25129  CB  ASN P  37      98.333 219.681  88.084  1.00 17.62           C  
-ATOM  25130  CG  ASN P  37      99.506 218.747  88.230  1.00 20.16           C  
-ATOM  25131  OD1 ASN P  37     100.700 219.182  88.336  1.00 19.47           O  
-ATOM  25132  ND2 ASN P  37      99.197 217.436  88.220  1.00 16.57           N  
-ATOM  25133  N   ILE P  38     100.188 222.163  88.257  1.00 19.24           N  
-ATOM  25134  CA  ILE P  38     100.820 223.191  87.479  1.00 19.58           C  
-ATOM  25135  C   ILE P  38     101.633 222.406  86.495  1.00 19.98           C  
-ATOM  25136  O   ILE P  38     102.545 221.695  86.876  1.00 20.62           O  
-ATOM  25137  CB  ILE P  38     101.659 224.090  88.373  1.00 19.58           C  
-ATOM  25138  CG1 ILE P  38     100.765 224.784  89.396  1.00 19.60           C  
-ATOM  25139  CG2 ILE P  38     102.411 225.116  87.548  1.00 19.34           C  
-ATOM  25140  CD1 ILE P  38     101.529 225.367  90.600  1.00 19.84           C  
-ATOM  25141  N   LEU P  39     101.288 222.519  85.224  1.00 20.88           N  
-ATOM  25142  CA  LEU P  39     101.817 221.626  84.199  1.00 21.91           C  
-ATOM  25143  C   LEU P  39     103.009 222.175  83.451  1.00 22.46           C  
-ATOM  25144  O   LEU P  39     103.872 221.415  82.986  1.00 23.28           O  
-ATOM  25145  CB  LEU P  39     100.730 221.276  83.199  1.00 21.57           C  
-ATOM  25146  CG  LEU P  39      99.501 220.725  83.910  1.00 23.10           C  
-ATOM  25147  CD1 LEU P  39      98.353 220.642  82.959  1.00 23.85           C  
-ATOM  25148  CD2 LEU P  39      99.831 219.320  84.514  1.00 23.13           C  
-ATOM  25149  N   GLU P  40     103.041 223.484  83.313  1.00 22.54           N  
-ATOM  25150  CA  GLU P  40     104.096 224.143  82.554  1.00 23.09           C  
-ATOM  25151  C   GLU P  40     104.215 225.567  83.040  1.00 22.18           C  
-ATOM  25152  O   GLU P  40     103.210 226.243  83.301  1.00 22.47           O  
-ATOM  25153  CB  GLU P  40     103.792 224.120  81.047  1.00 23.44           C  
-ATOM  25154  CG  GLU P  40     104.952 224.637  80.200  1.00 27.27           C  
-ATOM  25155  CD  GLU P  40     104.678 224.616  78.699  1.00 32.07           C  
-ATOM  25156  OE1 GLU P  40     103.515 224.847  78.292  1.00 33.17           O  
-ATOM  25157  OE2 GLU P  40     105.640 224.380  77.927  1.00 33.53           O  
-ATOM  25158  N   VAL P  41     105.458 226.007  83.160  1.00 21.45           N  
-ATOM  25159  CA  VAL P  41     105.803 227.329  83.630  1.00 20.62           C  
-ATOM  25160  C   VAL P  41     106.909 227.826  82.687  1.00 20.40           C  
-ATOM  25161  O   VAL P  41     107.797 227.057  82.309  1.00 19.71           O  
-ATOM  25162  CB  VAL P  41     106.230 227.229  85.119  1.00 21.00           C  
-ATOM  25163  CG1 VAL P  41     107.273 228.224  85.495  1.00 20.76           C  
-ATOM  25164  CG2 VAL P  41     105.004 227.342  86.047  1.00 20.52           C  
-ATOM  25165  N   ASN P  42     106.834 229.093  82.284  1.00 20.28           N  
-ATOM  25166  CA  ASN P  42     107.847 229.679  81.419  1.00 20.40           C  
-ATOM  25167  C   ASN P  42     108.243 231.040  81.953  1.00 20.76           C  
-ATOM  25168  O   ASN P  42     107.463 231.991  81.885  1.00 20.34           O  
-ATOM  25169  CB  ASN P  42     107.335 229.761  79.986  1.00 20.34           C  
-ATOM  25170  CG  ASN P  42     108.427 230.160  78.980  1.00 20.83           C  
-ATOM  25171  OD1 ASN P  42     109.271 231.018  79.247  1.00 21.42           O  
-ATOM  25172  ND2 ASN P  42     108.382 229.549  77.805  1.00 19.45           N  
-ATOM  25173  N   GLU P  43     109.461 231.126  82.491  1.00 21.32           N  
-ATOM  25174  CA  GLU P  43     109.906 232.325  83.188  1.00 21.91           C  
-ATOM  25175  C   GLU P  43     110.283 233.426  82.200  1.00 21.94           C  
-ATOM  25176  O   GLU P  43     110.276 234.615  82.559  1.00 21.59           O  
-ATOM  25177  CB  GLU P  43     111.071 232.024  84.152  1.00 22.33           C  
-ATOM  25178  CG  GLU P  43     111.034 232.850  85.438  1.00 24.31           C  
-ATOM  25179  CD  GLU P  43     112.194 232.567  86.386  1.00 27.40           C  
-ATOM  25180  OE1 GLU P  43     112.591 231.373  86.496  1.00 28.64           O  
-ATOM  25181  OE2 GLU P  43     112.697 233.536  87.026  1.00 27.58           O  
-ATOM  25182  N   ILE P  44     110.598 233.031  80.968  1.00 21.71           N  
-ATOM  25183  CA  ILE P  44     110.890 233.997  79.914  1.00 22.00           C  
-ATOM  25184  C   ILE P  44     109.618 234.706  79.432  1.00 21.61           C  
-ATOM  25185  O   ILE P  44     109.579 235.936  79.368  1.00 21.72           O  
-ATOM  25186  CB  ILE P  44     111.631 233.322  78.713  1.00 22.42           C  
-ATOM  25187  CG1 ILE P  44     112.910 232.588  79.169  1.00 23.03           C  
-ATOM  25188  CG2 ILE P  44     111.911 234.338  77.590  1.00 22.58           C  
-ATOM  25189  CD1 ILE P  44     113.964 233.469  79.884  1.00 24.26           C  
-ATOM  25190  N   THR P  45     108.577 233.932  79.112  1.00 21.04           N  
-ATOM  25191  CA  THR P  45     107.344 234.512  78.580  1.00 20.44           C  
-ATOM  25192  C   THR P  45     106.350 234.936  79.650  1.00 19.99           C  
-ATOM  25193  O   THR P  45     105.355 235.579  79.323  1.00 19.85           O  
-ATOM  25194  CB  THR P  45     106.647 233.554  77.588  1.00 20.46           C  
-ATOM  25195  OG1 THR P  45     106.307 232.339  78.266  1.00 20.85           O  
-ATOM  25196  CG2 THR P  45     107.619 233.101  76.499  1.00 20.37           C  
-ATOM  25197  N   ASN P  46     106.619 234.588  80.913  1.00 19.37           N  
-ATOM  25198  CA  ASN P  46     105.668 234.779  82.009  1.00 18.65           C  
-ATOM  25199  C   ASN P  46     104.292 234.136  81.729  1.00 18.67           C  
-ATOM  25200  O   ASN P  46     103.249 234.800  81.752  1.00 18.29           O  
-ATOM  25201  CB  ASN P  46     105.495 236.259  82.338  1.00 18.36           C  
-ATOM  25202  CG  ASN P  46     106.485 236.758  83.367  1.00 18.45           C  
-ATOM  25203  OD1 ASN P  46     106.888 236.031  84.305  1.00 17.04           O  
-ATOM  25204  ND2 ASN P  46     106.891 238.014  83.201  1.00 15.35           N  
-ATOM  25205  N   GLU P  47     104.305 232.848  81.438  1.00 18.90           N  
-ATOM  25206  CA  GLU P  47     103.095 232.117  81.159  1.00 19.40           C  
-ATOM  25207  C   GLU P  47     103.071 230.848  82.001  1.00 19.58           C  
-ATOM  25208  O   GLU P  47     104.131 230.261  82.246  1.00 19.48           O  
-ATOM  25209  CB  GLU P  47     103.016 231.778  79.668  1.00 19.45           C  
-ATOM  25210  CG  GLU P  47     102.734 232.987  78.780  1.00 21.44           C  
-ATOM  25211  CD  GLU P  47     102.901 232.701  77.293  1.00 25.74           C  
-ATOM  25212  OE1 GLU P  47     102.706 231.531  76.860  1.00 28.07           O  
-ATOM  25213  OE2 GLU P  47     103.221 233.651  76.536  1.00 28.11           O  
-ATOM  25214  N   VAL P  48     101.873 230.453  82.441  1.00 19.11           N  
-ATOM  25215  CA  VAL P  48     101.674 229.246  83.244  1.00 20.19           C  
-ATOM  25216  C   VAL P  48     100.472 228.436  82.744  1.00 20.09           C  
-ATOM  25217  O   VAL P  48      99.482 228.977  82.328  1.00 19.64           O  
-ATOM  25218  CB  VAL P  48     101.547 229.515  84.797  1.00 20.09           C  
-ATOM  25219  CG1 VAL P  48     102.732 230.256  85.344  1.00 20.64           C  
-ATOM  25220  CG2 VAL P  48     100.318 230.280  85.127  1.00 20.53           C  
-ATOM  25221  N   ASP P  49     100.596 227.123  82.805  1.00 20.77           N  
-ATOM  25222  CA  ASP P  49      99.546 226.202  82.394  1.00 21.43           C  
-ATOM  25223  C   ASP P  49      99.134 225.471  83.679  1.00 21.13           C  
-ATOM  25224  O   ASP P  49      99.985 224.866  84.360  1.00 20.77           O  
-ATOM  25225  CB  ASP P  49     100.156 225.251  81.361  1.00 22.37           C  
-ATOM  25226  CG  ASP P  49      99.124 224.487  80.543  1.00 25.19           C  
-ATOM  25227  OD1 ASP P  49      97.904 224.543  80.846  1.00 28.85           O  
-ATOM  25228  OD2 ASP P  49      99.472 223.789  79.557  1.00 28.64           O  
-ATOM  25229  N   VAL P  50      97.851 225.571  84.038  1.00 20.72           N  
-ATOM  25230  CA  VAL P  50      97.358 225.136  85.342  1.00 20.40           C  
-ATOM  25231  C   VAL P  50      96.055 224.322  85.231  1.00 19.50           C  
-ATOM  25232  O   VAL P  50      95.265 224.513  84.321  1.00 19.11           O  
-ATOM  25233  CB  VAL P  50      97.130 226.367  86.293  1.00 21.06           C  
-ATOM  25234  CG1 VAL P  50      96.602 225.917  87.651  1.00 22.64           C  
-ATOM  25235  CG2 VAL P  50      98.424 227.119  86.530  1.00 22.26           C  
-ATOM  25236  N   VAL P  51      95.830 223.430  86.183  1.00 18.46           N  
-ATOM  25237  CA  VAL P  51      94.578 222.712  86.320  1.00 17.43           C  
-ATOM  25238  C   VAL P  51      94.029 223.047  87.701  1.00 17.34           C  
-ATOM  25239  O   VAL P  51      94.765 222.986  88.703  1.00 16.91           O  
-ATOM  25240  CB  VAL P  51      94.764 221.178  86.217  1.00 17.89           C  
-ATOM  25241  CG1 VAL P  51      93.413 220.444  86.474  1.00 17.15           C  
-ATOM  25242  CG2 VAL P  51      95.352 220.798  84.852  1.00 17.00           C  
-ATOM  25243  N   PHE P  52      92.742 223.392  87.747  1.00 16.23           N  
-ATOM  25244  CA  PHE P  52      92.105 223.756  88.978  1.00 16.03           C  
-ATOM  25245  C   PHE P  52      90.612 223.407  88.960  1.00 16.52           C  
-ATOM  25246  O   PHE P  52      89.976 223.401  87.924  1.00 14.61           O  
-ATOM  25247  CB  PHE P  52      92.323 225.252  89.308  1.00 16.24           C  
-ATOM  25248  CG  PHE P  52      91.933 226.195  88.185  1.00 15.94           C  
-ATOM  25249  CD1 PHE P  52      90.618 226.686  88.081  1.00 17.09           C  
-ATOM  25250  CD2 PHE P  52      92.850 226.552  87.209  1.00 14.20           C  
-ATOM  25251  CE1 PHE P  52      90.237 227.578  87.040  1.00 12.14           C  
-ATOM  25252  CE2 PHE P  52      92.475 227.433  86.143  1.00 12.76           C  
-ATOM  25253  CZ  PHE P  52      91.159 227.931  86.086  1.00 15.26           C  
-ATOM  25254  N   TRP P  53      90.082 223.133  90.146  1.00 16.61           N  
-ATOM  25255  CA  TRP P  53      88.667 223.039  90.330  1.00 17.41           C  
-ATOM  25256  C   TRP P  53      88.117 224.443  90.639  1.00 18.02           C  
-ATOM  25257  O   TRP P  53      88.499 225.073  91.609  1.00 18.08           O  
-ATOM  25258  CB  TRP P  53      88.324 222.069  91.449  1.00 16.22           C  
-ATOM  25259  CG  TRP P  53      88.835 220.740  91.259  1.00 16.41           C  
-ATOM  25260  CD1 TRP P  53      89.335 220.195  90.098  1.00 16.88           C  
-ATOM  25261  CD2 TRP P  53      88.903 219.708  92.240  1.00 16.43           C  
-ATOM  25262  NE1 TRP P  53      89.724 218.892  90.312  1.00 17.10           N  
-ATOM  25263  CE2 TRP P  53      89.459 218.561  91.613  1.00 17.14           C  
-ATOM  25264  CE3 TRP P  53      88.552 219.628  93.588  1.00 18.31           C  
-ATOM  25265  CZ2 TRP P  53      89.675 217.345  92.296  1.00 18.88           C  
-ATOM  25266  CZ3 TRP P  53      88.772 218.404  94.275  1.00 19.32           C  
-ATOM  25267  CH2 TRP P  53      89.329 217.297  93.619  1.00 19.25           C  
-ATOM  25268  N   GLN P  54      87.219 224.915  89.795  1.00 18.71           N  
-ATOM  25269  CA  GLN P  54      86.649 226.235  89.983  1.00 19.97           C  
-ATOM  25270  C   GLN P  54      85.351 226.096  90.756  1.00 19.58           C  
-ATOM  25271  O   GLN P  54      84.272 226.061  90.170  1.00 19.63           O  
-ATOM  25272  CB  GLN P  54      86.437 226.934  88.638  1.00 20.02           C  
-ATOM  25273  CG  GLN P  54      85.981 228.414  88.735  1.00 23.31           C  
-ATOM  25274  CD  GLN P  54      86.101 229.113  87.396  1.00 27.87           C  
-ATOM  25275  OE1 GLN P  54      87.217 229.311  86.904  1.00 29.58           O  
-ATOM  25276  NE2 GLN P  54      84.963 229.469  86.789  1.00 29.19           N  
-ATOM  25277  N   GLN P  55      85.474 226.043  92.078  1.00 19.38           N  
-ATOM  25278  CA  GLN P  55      84.312 225.974  92.937  1.00 20.01           C  
-ATOM  25279  C   GLN P  55      83.434 227.234  92.879  1.00 20.20           C  
-ATOM  25280  O   GLN P  55      83.849 228.322  93.348  1.00 19.89           O  
-ATOM  25281  CB  GLN P  55      84.723 225.655  94.373  1.00 19.92           C  
-ATOM  25282  CG  GLN P  55      83.524 225.475  95.278  1.00 22.28           C  
-ATOM  25283  CD  GLN P  55      83.908 225.170  96.685  1.00 26.44           C  
-ATOM  25284  OE1 GLN P  55      85.032 224.748  96.932  1.00 28.58           O  
-ATOM  25285  NE2 GLN P  55      82.987 225.364  97.612  1.00 26.75           N  
-ATOM  25286  N   THR P  56      82.236 227.072  92.308  1.00 19.64           N  
-ATOM  25287  CA  THR P  56      81.327 228.180  92.056  1.00 20.17           C  
-ATOM  25288  C   THR P  56      79.971 227.954  92.652  1.00 19.83           C  
-ATOM  25289  O   THR P  56      79.314 226.935  92.405  1.00 19.76           O  
-ATOM  25290  CB  THR P  56      81.178 228.422  90.540  1.00 20.49           C  
-ATOM  25291  OG1 THR P  56      82.462 228.287  89.955  1.00 22.53           O  
-ATOM  25292  CG2 THR P  56      80.833 229.875  90.258  1.00 19.93           C  
-ATOM  25293  N   THR P  57      79.530 228.943  93.398  1.00 19.19           N  
-ATOM  25294  CA  THR P  57      78.359 228.806  94.235  1.00 19.51           C  
-ATOM  25295  C   THR P  57      77.501 230.040  94.056  1.00 18.66           C  
-ATOM  25296  O   THR P  57      78.041 231.158  93.986  1.00 18.56           O  
-ATOM  25297  CB  THR P  57      78.872 228.651  95.675  1.00 20.31           C  
-ATOM  25298  OG1 THR P  57      78.613 227.333  96.160  1.00 22.63           O  
-ATOM  25299  CG2 THR P  57      78.189 229.579  96.655  1.00 21.77           C  
-ATOM  25300  N   TRP P  58      76.192 229.832  93.925  1.00 17.22           N  
-ATOM  25301  CA  TRP P  58      75.207 230.917  93.918  1.00 18.02           C  
-ATOM  25302  C   TRP P  58      73.815 230.379  94.197  1.00 17.56           C  
-ATOM  25303  O   TRP P  58      73.607 229.208  94.263  1.00 17.46           O  
-ATOM  25304  CB  TRP P  58      75.216 231.727  92.605  1.00 16.85           C  
-ATOM  25305  CG  TRP P  58      74.692 230.927  91.443  1.00 16.93           C  
-ATOM  25306  CD1 TRP P  58      73.405 230.926  90.948  1.00 16.87           C  
-ATOM  25307  CD2 TRP P  58      75.421 229.969  90.655  1.00 15.06           C  
-ATOM  25308  NE1 TRP P  58      73.302 230.014  89.918  1.00 15.93           N  
-ATOM  25309  CE2 TRP P  58      74.524 229.434  89.708  1.00 14.18           C  
-ATOM  25310  CE3 TRP P  58      76.739 229.509  90.665  1.00 13.79           C  
-ATOM  25311  CZ2 TRP P  58      74.905 228.465  88.763  1.00 14.21           C  
-ATOM  25312  CZ3 TRP P  58      77.122 228.556  89.721  1.00 14.61           C  
-ATOM  25313  CH2 TRP P  58      76.205 228.028  88.796  1.00 15.05           C  
-ATOM  25314  N   SER P  59      72.880 231.281  94.367  1.00 18.00           N  
-ATOM  25315  CA  SER P  59      71.506 230.906  94.648  1.00 19.42           C  
-ATOM  25316  C   SER P  59      70.576 231.292  93.488  1.00 19.04           C  
-ATOM  25317  O   SER P  59      70.659 232.378  92.909  1.00 18.63           O  
-ATOM  25318  CB  SER P  59      71.060 231.535  95.971  1.00 19.31           C  
-ATOM  25319  OG  SER P  59      69.715 231.948  95.872  1.00 23.03           O  
-ATOM  25320  N   ASP P  60      69.701 230.374  93.127  1.00 19.52           N  
-ATOM  25321  CA  ASP P  60      68.645 230.664  92.152  1.00 19.75           C  
-ATOM  25322  C   ASP P  60      67.316 230.107  92.680  1.00 19.65           C  
-ATOM  25323  O   ASP P  60      67.042 228.901  92.606  1.00 19.17           O  
-ATOM  25324  CB  ASP P  60      69.030 230.052  90.796  1.00 19.88           C  
-ATOM  25325  CG  ASP P  60      68.034 230.379  89.662  1.00 22.08           C  
-ATOM  25326  OD1 ASP P  60      66.903 230.844  89.879  1.00 22.01           O  
-ATOM  25327  OD2 ASP P  60      68.299 230.184  88.472  1.00 24.49           O  
-ATOM  25328  N   ARG P  61      66.484 230.979  93.203  1.00 19.66           N  
-ATOM  25329  CA  ARG P  61      65.269 230.551  93.865  1.00 20.67           C  
-ATOM  25330  C   ARG P  61      64.174 230.093  92.901  1.00 20.49           C  
-ATOM  25331  O   ARG P  61      63.233 229.452  93.321  1.00 20.62           O  
-ATOM  25332  CB  ARG P  61      64.754 231.590  94.893  1.00 21.55           C  
-ATOM  25333  CG  ARG P  61      65.728 231.992  96.059  1.00 25.06           C  
-ATOM  25334  CD  ARG P  61      66.341 230.830  96.890  1.00 32.55           C  
-ATOM  25335  NE  ARG P  61      66.198 230.979  98.358  1.00 36.87           N  
-ATOM  25336  CZ  ARG P  61      65.377 230.246  99.158  1.00 38.16           C  
-ATOM  25337  NH1 ARG P  61      64.580 229.287  98.666  1.00 36.36           N  
-ATOM  25338  NH2 ARG P  61      65.346 230.493 100.471  1.00 36.81           N  
-ATOM  25339  N   THR P  62      64.307 230.374  91.606  1.00 20.92           N  
-ATOM  25340  CA  THR P  62      63.393 229.791  90.622  1.00 21.17           C  
-ATOM  25341  C   THR P  62      63.579 228.263  90.469  1.00 20.93           C  
-ATOM  25342  O   THR P  62      62.741 227.609  89.870  1.00 20.91           O  
-ATOM  25343  CB  THR P  62      63.507 230.464  89.232  1.00 21.27           C  
-ATOM  25344  OG1 THR P  62      64.783 230.156  88.631  1.00 23.12           O  
-ATOM  25345  CG2 THR P  62      63.481 232.011  89.324  1.00 22.13           C  
-ATOM  25346  N   LEU P  63      64.665 227.702  91.002  1.00 20.17           N  
-ATOM  25347  CA  LEU P  63      64.917 226.268  90.899  1.00 19.58           C  
-ATOM  25348  C   LEU P  63      64.297 225.512  92.063  1.00 19.87           C  
-ATOM  25349  O   LEU P  63      64.137 224.282  92.004  1.00 19.62           O  
-ATOM  25350  CB  LEU P  63      66.422 226.006  90.886  1.00 19.23           C  
-ATOM  25351  CG  LEU P  63      67.233 226.714  89.800  1.00 20.52           C  
-ATOM  25352  CD1 LEU P  63      68.687 226.334  90.001  1.00 19.09           C  
-ATOM  25353  CD2 LEU P  63      66.728 226.283  88.402  1.00 19.87           C  
-ATOM  25354  N   ALA P  64      63.952 226.243  93.126  1.00 19.18           N  
-ATOM  25355  CA  ALA P  64      63.586 225.658  94.409  1.00 18.80           C  
-ATOM  25356  C   ALA P  64      62.366 224.738  94.298  1.00 19.01           C  
-ATOM  25357  O   ALA P  64      61.490 224.953  93.469  1.00 18.88           O  
-ATOM  25358  CB  ALA P  64      63.310 226.779  95.447  1.00 18.59           C  
-ATOM  25359  N   TRP P  65      62.309 223.733  95.165  1.00 18.55           N  
-ATOM  25360  CA  TRP P  65      61.146 222.864  95.253  1.00 18.64           C  
-ATOM  25361  C   TRP P  65      60.956 222.393  96.684  1.00 19.18           C  
-ATOM  25362  O   TRP P  65      61.890 222.364  97.490  1.00 18.99           O  
-ATOM  25363  CB  TRP P  65      61.266 221.662  94.317  1.00 18.07           C  
-ATOM  25364  CG  TRP P  65      62.335 220.648  94.721  1.00 16.84           C  
-ATOM  25365  CD1 TRP P  65      62.161 219.536  95.504  1.00 15.05           C  
-ATOM  25366  CD2 TRP P  65      63.723 220.658  94.341  1.00 14.17           C  
-ATOM  25367  NE1 TRP P  65      63.350 218.853  95.634  1.00 13.69           N  
-ATOM  25368  CE2 TRP P  65      64.325 219.509  94.923  1.00 13.10           C  
-ATOM  25369  CE3 TRP P  65      64.517 221.503  93.553  1.00 13.00           C  
-ATOM  25370  CZ2 TRP P  65      65.693 219.223  94.782  1.00 11.79           C  
-ATOM  25371  CZ3 TRP P  65      65.877 221.214  93.404  1.00 12.37           C  
-ATOM  25372  CH2 TRP P  65      66.449 220.091  94.027  1.00 12.09           C  
-ATOM  25373  N   ASN P  66      59.732 222.039  97.010  1.00 19.89           N  
-ATOM  25374  CA  ASN P  66      59.414 221.505  98.330  1.00 20.80           C  
-ATOM  25375  C   ASN P  66      59.921 220.070  98.443  1.00 20.78           C  
-ATOM  25376  O   ASN P  66      59.508 219.207  97.677  1.00 20.88           O  
-ATOM  25377  CB  ASN P  66      57.888 221.544  98.524  1.00 21.37           C  
-ATOM  25378  CG  ASN P  66      57.446 221.168  99.945  1.00 23.01           C  
-ATOM  25379  OD1 ASN P  66      58.121 220.405 100.658  1.00 23.19           O  
-ATOM  25380  ND2 ASN P  66      56.286 221.705 100.357  1.00 25.13           N  
-ATOM  25381  N   SER P  67      60.793 219.807  99.410  1.00 21.04           N  
-ATOM  25382  CA  SER P  67      61.469 218.520  99.483  1.00 20.94           C  
-ATOM  25383  C   SER P  67      61.470 217.888 100.886  1.00 21.47           C  
-ATOM  25384  O   SER P  67      62.472 217.300 101.299  1.00 21.71           O  
-ATOM  25385  CB  SER P  67      62.906 218.687  99.024  1.00 20.73           C  
-ATOM  25386  OG  SER P  67      63.702 219.162 100.091  1.00 21.18           O  
-ATOM  25387  N   SER P  68      60.359 217.979 101.605  1.00 21.37           N  
-ATOM  25388  CA  SER P  68      60.269 217.331 102.902  1.00 22.20           C  
-ATOM  25389  C   SER P  68      59.937 215.820 102.777  1.00 22.43           C  
-ATOM  25390  O   SER P  68      60.093 215.067 103.738  1.00 22.67           O  
-ATOM  25391  CB  SER P  68      59.239 218.044 103.776  1.00 22.01           C  
-ATOM  25392  OG  SER P  68      57.992 218.046 103.118  1.00 22.80           O  
-ATOM  25393  N   HIS P  69      59.473 215.398 101.598  1.00 22.36           N  
-ATOM  25394  CA  HIS P  69      59.303 213.980 101.266  1.00 21.95           C  
-ATOM  25395  C   HIS P  69      59.871 213.659  99.875  1.00 22.13           C  
-ATOM  25396  O   HIS P  69      59.459 212.715  99.222  1.00 22.12           O  
-ATOM  25397  CB  HIS P  69      57.834 213.596 101.386  1.00 21.54           C  
-ATOM  25398  CG  HIS P  69      57.308 213.705 102.785  1.00 22.24           C  
-ATOM  25399  ND1 HIS P  69      57.915 213.091 103.862  1.00 21.98           N  
-ATOM  25400  CD2 HIS P  69      56.242 214.375 103.289  1.00 23.05           C  
-ATOM  25401  CE1 HIS P  69      57.245 213.373 104.963  1.00 22.25           C  
-ATOM  25402  NE2 HIS P  69      56.223 214.147 104.643  1.00 21.64           N  
-ATOM  25403  N   SER P  70      60.811 214.485  99.429  1.00 22.25           N  
-ATOM  25404  CA  SER P  70      61.463 214.324  98.142  1.00 22.06           C  
-ATOM  25405  C   SER P  70      62.977 214.429  98.334  1.00 21.81           C  
-ATOM  25406  O   SER P  70      63.448 214.975  99.343  1.00 21.61           O  
-ATOM  25407  CB  SER P  70      61.003 215.430  97.173  1.00 21.82           C  
-ATOM  25408  OG  SER P  70      59.609 215.388  97.009  1.00 22.54           O  
-ATOM  25409  N   PRO P  71      63.746 213.919  97.370  1.00 21.53           N  
-ATOM  25410  CA  PRO P  71      65.187 214.206  97.310  1.00 21.25           C  
-ATOM  25411  C   PRO P  71      65.460 215.708  97.421  1.00 21.05           C  
-ATOM  25412  O   PRO P  71      64.726 216.541  96.862  1.00 20.36           O  
-ATOM  25413  CB  PRO P  71      65.580 213.710  95.919  1.00 21.18           C  
-ATOM  25414  CG  PRO P  71      64.590 212.642  95.597  1.00 21.42           C  
-ATOM  25415  CD  PRO P  71      63.318 213.017  96.285  1.00 21.61           C  
-ATOM  25416  N   ASP P  72      66.499 216.075  98.152  1.00 20.78           N  
-ATOM  25417  CA  ASP P  72      66.707 217.496  98.353  1.00 21.44           C  
-ATOM  25418  C   ASP P  72      67.854 218.077  97.530  1.00 20.29           C  
-ATOM  25419  O   ASP P  72      68.153 219.263  97.624  1.00 20.13           O  
-ATOM  25420  CB  ASP P  72      66.823 217.827  99.840  1.00 22.67           C  
-ATOM  25421  CG  ASP P  72      68.187 217.554 100.378  1.00 26.53           C  
-ATOM  25422  OD1 ASP P  72      68.724 216.456 100.050  1.00 29.96           O  
-ATOM  25423  OD2 ASP P  72      68.794 218.396 101.106  1.00 31.49           O  
-ATOM  25424  N   GLN P  73      68.466 217.233  96.701  1.00 18.86           N  
-ATOM  25425  CA  GLN P  73      69.524 217.632  95.789  1.00 17.54           C  
-ATOM  25426  C   GLN P  73      69.462 216.765  94.534  1.00 16.62           C  
-ATOM  25427  O   GLN P  73      69.139 215.550  94.608  1.00 15.31           O  
-ATOM  25428  CB  GLN P  73      70.884 217.377  96.425  1.00 17.82           C  
-ATOM  25429  CG  GLN P  73      71.344 218.390  97.442  1.00 20.76           C  
-ATOM  25430  CD  GLN P  73      72.841 218.277  97.780  1.00 22.42           C  
-ATOM  25431  OE1 GLN P  73      73.681 218.147  96.889  1.00 23.98           O  
-ATOM  25432  NE2 GLN P  73      73.162 218.339  99.046  1.00 19.89           N  
-ATOM  25433  N   VAL P  74      69.811 217.378  93.409  1.00 15.01           N  
-ATOM  25434  CA  VAL P  74      69.985 216.680  92.140  1.00 14.54           C  
-ATOM  25435  C   VAL P  74      71.186 217.190  91.343  1.00 14.77           C  
-ATOM  25436  O   VAL P  74      71.660 218.310  91.559  1.00 13.78           O  
-ATOM  25437  CB  VAL P  74      68.699 216.792  91.244  1.00 14.90           C  
-ATOM  25438  CG1 VAL P  74      67.530 215.940  91.824  1.00 13.60           C  
-ATOM  25439  CG2 VAL P  74      68.298 218.261  91.023  1.00 12.30           C  
-ATOM  25440  N   SER P  75      71.648 216.371  90.397  1.00 14.21           N  
-ATOM  25441  CA  SER P  75      72.627 216.821  89.427  1.00 14.94           C  
-ATOM  25442  C   SER P  75      71.929 217.321  88.164  1.00 15.81           C  
-ATOM  25443  O   SER P  75      71.082 216.622  87.615  1.00 16.68           O  
-ATOM  25444  CB  SER P  75      73.581 215.700  89.040  1.00 15.06           C  
-ATOM  25445  OG  SER P  75      74.338 215.232  90.141  1.00 14.59           O  
-ATOM  25446  N   VAL P  76      72.322 218.499  87.658  1.00 15.90           N  
-ATOM  25447  CA  VAL P  76      71.642 219.128  86.534  1.00 16.15           C  
-ATOM  25448  C   VAL P  76      72.670 219.568  85.502  1.00 16.23           C  
-ATOM  25449  O   VAL P  76      73.664 220.160  85.848  1.00 15.82           O  
-ATOM  25450  CB  VAL P  76      70.835 220.393  87.014  1.00 16.26           C  
-ATOM  25451  CG1 VAL P  76      70.003 220.990  85.846  1.00 14.84           C  
-ATOM  25452  CG2 VAL P  76      69.894 220.008  88.194  1.00 14.71           C  
-ATOM  25453  N   PRO P  77      72.440 219.255  84.238  1.00 17.11           N  
-ATOM  25454  CA  PRO P  77      73.332 219.754  83.173  1.00 17.09           C  
-ATOM  25455  C   PRO P  77      73.303 221.267  83.223  1.00 17.06           C  
-ATOM  25456  O   PRO P  77      72.236 221.828  83.427  1.00 16.71           O  
-ATOM  25457  CB  PRO P  77      72.700 219.219  81.864  1.00 17.14           C  
-ATOM  25458  CG  PRO P  77      71.717 218.188  82.289  1.00 18.15           C  
-ATOM  25459  CD  PRO P  77      71.329 218.408  83.740  1.00 16.74           C  
-ATOM  25460  N   ILE P  78      74.462 221.912  83.117  1.00 17.91           N  
-ATOM  25461  CA  ILE P  78      74.517 223.373  83.181  1.00 19.17           C  
-ATOM  25462  C   ILE P  78      73.754 224.071  82.055  1.00 19.84           C  
-ATOM  25463  O   ILE P  78      73.331 225.231  82.233  1.00 20.36           O  
-ATOM  25464  CB  ILE P  78      75.953 223.907  83.307  1.00 19.69           C  
-ATOM  25465  CG1 ILE P  78      76.785 223.577  82.093  1.00 20.26           C  
-ATOM  25466  CG2 ILE P  78      76.620 223.466  84.590  1.00 18.61           C  
-ATOM  25467  CD1 ILE P  78      78.021 224.497  81.942  1.00 23.60           C  
-ATOM  25468  N   SER P  79      73.548 223.376  80.930  1.00 20.05           N  
-ATOM  25469  CA  SER P  79      72.709 223.891  79.837  1.00 21.08           C  
-ATOM  25470  C   SER P  79      71.265 224.146  80.267  1.00 21.03           C  
-ATOM  25471  O   SER P  79      70.567 224.889  79.603  1.00 21.32           O  
-ATOM  25472  CB  SER P  79      72.750 222.966  78.602  1.00 21.90           C  
-ATOM  25473  OG  SER P  79      72.129 221.695  78.857  1.00 24.10           O  
-ATOM  25474  N   SER P  80      70.811 223.528  81.356  1.00 20.50           N  
-ATOM  25475  CA  SER P  80      69.477 223.771  81.863  1.00 20.78           C  
-ATOM  25476  C   SER P  80      69.439 224.836  82.956  1.00 20.38           C  
-ATOM  25477  O   SER P  80      68.390 225.093  83.523  1.00 21.03           O  
-ATOM  25478  CB  SER P  80      68.893 222.478  82.409  1.00 20.67           C  
-ATOM  25479  OG  SER P  80      68.545 221.611  81.345  1.00 24.01           O  
-ATOM  25480  N   LEU P  81      70.585 225.415  83.286  1.00 19.64           N  
-ATOM  25481  CA  LEU P  81      70.675 226.390  84.373  1.00 19.66           C  
-ATOM  25482  C   LEU P  81      71.245 227.736  83.894  1.00 19.00           C  
-ATOM  25483  O   LEU P  81      72.054 227.786  82.963  1.00 18.24           O  
-ATOM  25484  CB  LEU P  81      71.620 225.881  85.468  1.00 20.50           C  
-ATOM  25485  CG  LEU P  81      71.283 224.564  86.183  1.00 21.83           C  
-ATOM  25486  CD1 LEU P  81      72.280 224.320  87.265  1.00 22.77           C  
-ATOM  25487  CD2 LEU P  81      69.885 224.688  86.772  1.00 24.45           C  
-ATOM  25488  N   TRP P  82      70.876 228.830  84.559  1.00 17.79           N  
-ATOM  25489  CA  TRP P  82      71.697 230.023  84.436  1.00 17.45           C  
-ATOM  25490  C   TRP P  82      72.998 229.791  85.194  1.00 17.46           C  
-ATOM  25491  O   TRP P  82      73.006 229.239  86.290  1.00 17.79           O  
-ATOM  25492  CB  TRP P  82      70.985 231.261  84.982  1.00 16.58           C  
-ATOM  25493  CG  TRP P  82      71.843 232.487  84.975  1.00 17.28           C  
-ATOM  25494  CD1 TRP P  82      71.979 233.414  83.939  1.00 15.94           C  
-ATOM  25495  CD2 TRP P  82      72.728 232.924  86.009  1.00 15.91           C  
-ATOM  25496  NE1 TRP P  82      72.849 234.408  84.305  1.00 16.38           N  
-ATOM  25497  CE2 TRP P  82      73.312 234.164  85.567  1.00 17.31           C  
-ATOM  25498  CE3 TRP P  82      73.025 232.461  87.300  1.00 15.31           C  
-ATOM  25499  CZ2 TRP P  82      74.205 234.911  86.353  1.00 15.42           C  
-ATOM  25500  CZ3 TRP P  82      73.945 233.202  88.096  1.00 15.60           C  
-ATOM  25501  CH2 TRP P  82      74.511 234.432  87.608  1.00 16.26           C  
-ATOM  25502  N   VAL P  83      74.094 230.246  84.611  1.00 17.86           N  
-ATOM  25503  CA  VAL P  83      75.418 230.081  85.206  1.00 18.48           C  
-ATOM  25504  C   VAL P  83      76.111 231.453  85.117  1.00 18.42           C  
-ATOM  25505  O   VAL P  83      75.930 232.154  84.143  1.00 18.74           O  
-ATOM  25506  CB  VAL P  83      76.188 228.929  84.482  1.00 19.20           C  
-ATOM  25507  CG1 VAL P  83      77.667 228.905  84.818  1.00 21.07           C  
-ATOM  25508  CG2 VAL P  83      75.589 227.586  84.863  1.00 19.11           C  
-ATOM  25509  N   PRO P  84      76.827 231.888  86.137  1.00 18.20           N  
-ATOM  25510  CA  PRO P  84      77.518 233.183  86.058  1.00 18.67           C  
-ATOM  25511  C   PRO P  84      78.536 233.210  84.915  1.00 18.26           C  
-ATOM  25512  O   PRO P  84      79.206 232.208  84.646  1.00 18.14           O  
-ATOM  25513  CB  PRO P  84      78.203 233.331  87.408  1.00 18.47           C  
-ATOM  25514  CG  PRO P  84      77.891 232.089  88.212  1.00 19.23           C  
-ATOM  25515  CD  PRO P  84      76.994 231.220  87.444  1.00 18.57           C  
-ATOM  25516  N   ASP P  85      78.587 234.321  84.204  1.00 17.13           N  
-ATOM  25517  CA  ASP P  85      79.436 234.442  83.028  1.00 17.34           C  
-ATOM  25518  C   ASP P  85      80.875 234.845  83.442  1.00 17.45           C  
-ATOM  25519  O   ASP P  85      81.389 235.963  83.102  1.00 17.01           O  
-ATOM  25520  CB  ASP P  85      78.822 235.466  82.048  1.00 17.39           C  
-ATOM  25521  CG  ASP P  85      78.768 236.872  82.645  1.00 19.22           C  
-ATOM  25522  OD1 ASP P  85      78.657 236.981  83.904  1.00 18.04           O  
-ATOM  25523  OD2 ASP P  85      78.858 237.887  81.917  1.00 20.10           O  
-ATOM  25524  N   LEU P  86      81.516 233.952  84.198  1.00 16.41           N  
-ATOM  25525  CA  LEU P  86      82.815 234.260  84.764  1.00 17.09           C  
-ATOM  25526  C   LEU P  86      83.912 234.088  83.721  1.00 17.43           C  
-ATOM  25527  O   LEU P  86      83.829 233.233  82.841  1.00 17.79           O  
-ATOM  25528  CB  LEU P  86      83.104 233.449  86.005  1.00 16.83           C  
-ATOM  25529  CG  LEU P  86      82.119 233.614  87.158  1.00 17.05           C  
-ATOM  25530  CD1 LEU P  86      82.484 232.631  88.254  1.00 17.61           C  
-ATOM  25531  CD2 LEU P  86      82.070 235.092  87.691  1.00 15.55           C  
-ATOM  25532  N   ALA P  87      84.896 234.961  83.764  1.00 17.01           N  
-ATOM  25533  CA  ALA P  87      86.056 234.808  82.914  1.00 17.21           C  
-ATOM  25534  C   ALA P  87      87.319 235.154  83.673  1.00 17.35           C  
-ATOM  25535  O   ALA P  87      87.325 236.013  84.579  1.00 17.22           O  
-ATOM  25536  CB  ALA P  87      85.905 235.704  81.655  1.00 16.96           C  
-ATOM  25537  N   ALA P  88      88.407 234.498  83.320  1.00 17.27           N  
-ATOM  25538  CA  ALA P  88      89.705 234.883  83.880  1.00 17.49           C  
-ATOM  25539  C   ALA P  88      90.314 235.934  82.936  1.00 17.53           C  
-ATOM  25540  O   ALA P  88      90.583 235.634  81.767  1.00 17.33           O  
-ATOM  25541  CB  ALA P  88      90.609 233.657  84.019  1.00 17.47           C  
-ATOM  25542  N   TYR P  89      90.545 237.140  83.450  1.00 16.82           N  
-ATOM  25543  CA  TYR P  89      90.971 238.291  82.655  1.00 17.17           C  
-ATOM  25544  C   TYR P  89      92.391 238.184  82.117  1.00 16.88           C  
-ATOM  25545  O   TYR P  89      92.738 238.849  81.151  1.00 17.03           O  
-ATOM  25546  CB  TYR P  89      90.919 239.591  83.506  1.00 16.99           C  
-ATOM  25547  CG  TYR P  89      89.563 240.194  83.641  1.00 18.24           C  
-ATOM  25548  CD1 TYR P  89      88.513 239.507  84.266  1.00 18.57           C  
-ATOM  25549  CD2 TYR P  89      89.322 241.502  83.173  1.00 18.87           C  
-ATOM  25550  CE1 TYR P  89      87.252 240.095  84.399  1.00 21.58           C  
-ATOM  25551  CE2 TYR P  89      88.084 242.100  83.307  1.00 19.56           C  
-ATOM  25552  CZ  TYR P  89      87.058 241.420  83.921  1.00 22.53           C  
-ATOM  25553  OH  TYR P  89      85.843 242.047  84.036  1.00 24.50           O  
-ATOM  25554  N   ASN P  90      93.237 237.426  82.806  1.00 16.04           N  
-ATOM  25555  CA  ASN P  90      94.594 237.219  82.302  1.00 16.06           C  
-ATOM  25556  C   ASN P  90      94.796 235.838  81.642  1.00 15.48           C  
-ATOM  25557  O   ASN P  90      95.918 235.370  81.498  1.00 15.48           O  
-ATOM  25558  CB  ASN P  90      95.649 237.533  83.375  1.00 15.12           C  
-ATOM  25559  CG  ASN P  90      95.482 236.698  84.598  1.00 16.39           C  
-ATOM  25560  OD1 ASN P  90      94.351 236.453  85.059  1.00 17.21           O  
-ATOM  25561  ND2 ASN P  90      96.581 236.228  85.135  1.00 14.91           N  
-ATOM  25562  N   ALA P  91      93.704 235.206  81.228  1.00 15.25           N  
-ATOM  25563  CA  ALA P  91      93.807 233.904  80.572  1.00 15.27           C  
-ATOM  25564  C   ALA P  91      94.227 234.162  79.145  1.00 15.54           C  
-ATOM  25565  O   ALA P  91      93.775 235.137  78.520  1.00 14.91           O  
-ATOM  25566  CB  ALA P  91      92.472 233.162  80.587  1.00 15.39           C  
-ATOM  25567  N   ILE P  92      95.074 233.281  78.619  1.00 15.70           N  
-ATOM  25568  CA  ILE P  92      95.539 233.374  77.242  1.00 16.37           C  
-ATOM  25569  C   ILE P  92      95.160 232.094  76.459  1.00 17.20           C  
-ATOM  25570  O   ILE P  92      95.629 231.872  75.328  1.00 17.03           O  
-ATOM  25571  CB  ILE P  92      97.076 233.610  77.224  1.00 16.81           C  
-ATOM  25572  CG1 ILE P  92      97.813 232.447  77.942  1.00 16.03           C  
-ATOM  25573  CG2 ILE P  92      97.397 234.988  77.871  1.00 15.54           C  
-ATOM  25574  CD1 ILE P  92      99.321 232.445  77.751  1.00 15.77           C  
-ATOM  25575  N   SER P  93      94.346 231.240  77.068  1.00 17.30           N  
-ATOM  25576  CA  SER P  93      93.740 230.147  76.336  1.00 18.79           C  
-ATOM  25577  C   SER P  93      92.300 230.026  76.775  1.00 19.32           C  
-ATOM  25578  O   SER P  93      91.911 230.505  77.862  1.00 19.46           O  
-ATOM  25579  CB  SER P  93      94.497 228.813  76.543  1.00 18.59           C  
-ATOM  25580  OG  SER P  93      94.284 228.338  77.876  1.00 18.69           O  
-ATOM  25581  N   LYS P  94      91.493 229.354  75.966  1.00 20.59           N  
-ATOM  25582  CA  LYS P  94      90.110 229.251  76.360  1.00 22.39           C  
-ATOM  25583  C   LYS P  94      90.090 228.162  77.436  1.00 22.38           C  
-ATOM  25584  O   LYS P  94      90.972 227.314  77.458  1.00 22.38           O  
-ATOM  25585  CB  LYS P  94      89.158 229.077  75.153  1.00 22.98           C  
-ATOM  25586  CG  LYS P  94      89.072 227.715  74.511  1.00 28.26           C  
-ATOM  25587  CD  LYS P  94      88.598 227.810  73.037  1.00 35.90           C  
-ATOM  25588  CE  LYS P  94      87.252 227.067  72.810  1.00 39.76           C  
-ATOM  25589  NZ  LYS P  94      86.961 226.808  71.342  1.00 40.29           N  
-ATOM  25590  N   PRO P  95      89.167 228.240  78.385  1.00 22.67           N  
-ATOM  25591  CA  PRO P  95      89.221 227.315  79.515  1.00 22.70           C  
-ATOM  25592  C   PRO P  95      88.792 225.934  79.023  1.00 23.04           C  
-ATOM  25593  O   PRO P  95      87.755 225.823  78.354  1.00 24.50           O  
-ATOM  25594  CB  PRO P  95      88.241 227.934  80.535  1.00 21.26           C  
-ATOM  25595  CG  PRO P  95      87.280 228.721  79.740  1.00 22.11           C  
-ATOM  25596  CD  PRO P  95      87.997 229.143  78.455  1.00 22.17           C  
-ATOM  25597  N   GLU P  96      89.631 224.930  79.249  1.00 23.02           N  
-ATOM  25598  CA  GLU P  96      89.356 223.518  78.886  1.00 23.06           C  
-ATOM  25599  C   GLU P  96      88.710 222.823  80.115  1.00 21.94           C  
-ATOM  25600  O   GLU P  96      89.357 222.675  81.159  1.00 21.52           O  
-ATOM  25601  CB  GLU P  96      90.689 222.849  78.510  1.00 23.65           C  
-ATOM  25602  CG  GLU P  96      90.620 221.496  77.799  1.00 28.59           C  
-ATOM  25603  CD  GLU P  96      92.009 220.924  77.494  1.00 35.17           C  
-ATOM  25604  OE1 GLU P  96      92.946 221.750  77.280  1.00 38.34           O  
-ATOM  25605  OE2 GLU P  96      92.185 219.664  77.457  1.00 38.17           O  
-ATOM  25606  N   VAL P  97      87.419 222.479  80.012  1.00 20.91           N  
-ATOM  25607  CA  VAL P  97      86.666 221.800  81.060  1.00 19.55           C  
-ATOM  25608  C   VAL P  97      86.900 220.302  80.989  1.00 19.96           C  
-ATOM  25609  O   VAL P  97      86.629 219.651  79.968  1.00 19.30           O  
-ATOM  25610  CB  VAL P  97      85.139 222.084  80.967  1.00 20.39           C  
-ATOM  25611  CG1 VAL P  97      84.412 221.480  82.146  1.00 18.47           C  
-ATOM  25612  CG2 VAL P  97      84.859 223.632  80.925  1.00 18.83           C  
-ATOM  25613  N   LEU P  98      87.464 219.748  82.050  1.00 19.03           N  
-ATOM  25614  CA  LEU P  98      87.895 218.367  81.984  1.00 19.31           C  
-ATOM  25615  C   LEU P  98      86.824 217.427  82.500  1.00 19.00           C  
-ATOM  25616  O   LEU P  98      86.924 216.238  82.270  1.00 19.20           O  
-ATOM  25617  CB  LEU P  98      89.210 218.170  82.758  1.00 19.09           C  
-ATOM  25618  CG  LEU P  98      90.348 219.146  82.423  1.00 20.31           C  
-ATOM  25619  CD1 LEU P  98      91.541 218.904  83.390  1.00 19.54           C  
-ATOM  25620  CD2 LEU P  98      90.828 218.948  81.007  1.00 20.52           C  
-ATOM  25621  N   THR P  99      85.778 217.980  83.144  1.00 18.36           N  
-ATOM  25622  CA  THR P  99      84.796 217.166  83.866  1.00 18.30           C  
-ATOM  25623  C   THR P  99      83.384 217.247  83.288  1.00 18.63           C  
-ATOM  25624  O   THR P  99      83.092 218.170  82.521  1.00 18.54           O  
-ATOM  25625  CB  THR P  99      84.781 217.577  85.347  1.00 18.25           C  
-ATOM  25626  OG1 THR P  99      84.949 218.994  85.457  1.00 16.81           O  
-ATOM  25627  CG2 THR P  99      86.035 217.016  86.072  1.00 16.69           C  
-ATOM  25628  N   PRO P 100      82.515 216.273  83.608  1.00 18.81           N  
-ATOM  25629  CA  PRO P 100      81.116 216.347  83.162  1.00 18.50           C  
-ATOM  25630  C   PRO P 100      80.508 217.677  83.601  1.00 18.99           C  
-ATOM  25631  O   PRO P 100      80.683 218.076  84.754  1.00 18.23           O  
-ATOM  25632  CB  PRO P 100      80.443 215.204  83.912  1.00 18.62           C  
-ATOM  25633  CG  PRO P 100      81.541 214.201  84.132  1.00 19.34           C  
-ATOM  25634  CD  PRO P 100      82.787 215.040  84.371  1.00 18.21           C  
-ATOM  25635  N   GLN P 101      79.761 218.305  82.709  1.00 18.57           N  
-ATOM  25636  CA  GLN P 101      79.287 219.646  82.930  1.00 19.74           C  
-ATOM  25637  C   GLN P 101      77.947 219.672  83.687  1.00 19.40           C  
-ATOM  25638  O   GLN P 101      76.928 220.170  83.173  1.00 19.02           O  
-ATOM  25639  CB  GLN P 101      79.284 220.418  81.614  1.00 19.90           C  
-ATOM  25640  CG  GLN P 101      80.721 220.765  81.180  1.00 23.73           C  
-ATOM  25641  CD  GLN P 101      80.810 221.505  79.864  1.00 29.01           C  
-ATOM  25642  OE1 GLN P 101      80.111 222.521  79.666  1.00 32.08           O  
-ATOM  25643  NE2 GLN P 101      81.686 221.046  78.975  1.00 28.96           N  
-ATOM  25644  N   LEU P 102      77.982 219.138  84.924  1.00 18.60           N  
-ATOM  25645  CA  LEU P 102      76.778 219.022  85.768  1.00 17.76           C  
-ATOM  25646  C   LEU P 102      76.937 219.850  87.022  1.00 17.51           C  
-ATOM  25647  O   LEU P 102      78.016 219.872  87.611  1.00 17.29           O  
-ATOM  25648  CB  LEU P 102      76.508 217.578  86.164  1.00 17.86           C  
-ATOM  25649  CG  LEU P 102      76.412 216.507  85.085  1.00 20.61           C  
-ATOM  25650  CD1 LEU P 102      76.325 215.089  85.685  1.00 21.22           C  
-ATOM  25651  CD2 LEU P 102      75.207 216.735  84.182  1.00 20.40           C  
-ATOM  25652  N   ALA P 103      75.873 220.505  87.449  1.00 16.41           N  
-ATOM  25653  CA  ALA P 103      75.913 221.288  88.677  1.00 16.76           C  
-ATOM  25654  C   ALA P 103      75.039 220.519  89.672  1.00 17.07           C  
-ATOM  25655  O   ALA P 103      74.146 219.753  89.290  1.00 17.34           O  
-ATOM  25656  CB  ALA P 103      75.353 222.699  88.454  1.00 16.01           C  
-ATOM  25657  N   ARG P 104      75.297 220.740  90.945  1.00 16.56           N  
-ATOM  25658  CA  ARG P 104      74.504 220.165  92.002  1.00 16.44           C  
-ATOM  25659  C   ARG P 104      73.543 221.256  92.472  1.00 16.11           C  
-ATOM  25660  O   ARG P 104      73.958 222.401  92.704  1.00 16.25           O  
-ATOM  25661  CB  ARG P 104      75.454 219.712  93.100  1.00 16.51           C  
-ATOM  25662  CG  ARG P 104      74.965 218.675  93.980  1.00 18.21           C  
-ATOM  25663  CD  ARG P 104      74.690 217.290  93.341  1.00 17.97           C  
-ATOM  25664  NE  ARG P 104      74.074 216.510  94.384  1.00 16.62           N  
-ATOM  25665  CZ  ARG P 104      73.516 215.329  94.274  1.00 17.54           C  
-ATOM  25666  NH1 ARG P 104      73.451 214.679  93.109  1.00 13.77           N  
-ATOM  25667  NH2 ARG P 104      72.998 214.811  95.373  1.00 14.51           N  
-ATOM  25668  N   VAL P 105      72.248 220.938  92.525  1.00 15.68           N  
-ATOM  25669  CA  VAL P 105      71.220 221.936  92.876  1.00 15.01           C  
-ATOM  25670  C   VAL P 105      70.455 221.416  94.093  1.00 15.38           C  
-ATOM  25671  O   VAL P 105      69.945 220.276  94.083  1.00 15.22           O  
-ATOM  25672  CB  VAL P 105      70.239 222.184  91.692  1.00 15.51           C  
-ATOM  25673  CG1 VAL P 105      69.127 223.096  92.086  1.00 14.58           C  
-ATOM  25674  CG2 VAL P 105      70.980 222.708  90.422  1.00 14.69           C  
-ATOM  25675  N   VAL P 106      70.418 222.223  95.146  1.00 14.94           N  
-ATOM  25676  CA  VAL P 106      69.727 221.916  96.402  1.00 14.89           C  
-ATOM  25677  C   VAL P 106      68.289 222.431  96.318  1.00 14.89           C  
-ATOM  25678  O   VAL P 106      68.006 223.341  95.559  1.00 14.32           O  
-ATOM  25679  CB  VAL P 106      70.484 222.545  97.622  1.00 15.03           C  
-ATOM  25680  CG1 VAL P 106      69.932 222.041  98.954  1.00 13.69           C  
-ATOM  25681  CG2 VAL P 106      71.987 222.194  97.534  1.00 15.60           C  
-ATOM  25682  N   SER P 107      67.370 221.835  97.071  1.00 15.13           N  
-ATOM  25683  CA  SER P 107      65.947 222.197  96.956  1.00 15.63           C  
-ATOM  25684  C   SER P 107      65.610 223.638  97.351  1.00 16.18           C  
-ATOM  25685  O   SER P 107      64.518 224.147  97.024  1.00 15.91           O  
-ATOM  25686  CB  SER P 107      65.080 221.234  97.769  1.00 15.33           C  
-ATOM  25687  OG  SER P 107      65.357 221.355  99.143  1.00 15.03           O  
-ATOM  25688  N   ASP P 108      66.521 224.307  98.057  1.00 16.97           N  
-ATOM  25689  CA  ASP P 108      66.284 225.720  98.382  1.00 18.30           C  
-ATOM  25690  C   ASP P 108      66.790 226.639  97.261  1.00 18.13           C  
-ATOM  25691  O   ASP P 108      66.604 227.853  97.337  1.00 18.14           O  
-ATOM  25692  CB  ASP P 108      66.883 226.116  99.729  1.00 18.51           C  
-ATOM  25693  CG  ASP P 108      68.409 225.956  99.785  1.00 21.50           C  
-ATOM  25694  OD1 ASP P 108      69.078 225.621  98.760  1.00 23.62           O  
-ATOM  25695  OD2 ASP P 108      69.033 226.140 100.848  1.00 24.87           O  
-ATOM  25696  N   GLY P 109      67.422 226.053  96.231  1.00 17.89           N  
-ATOM  25697  CA  GLY P 109      67.881 226.830  95.092  1.00 17.88           C  
-ATOM  25698  C   GLY P 109      69.358 227.128  95.112  1.00 17.89           C  
-ATOM  25699  O   GLY P 109      69.839 227.778  94.221  1.00 18.23           O  
-ATOM  25700  N   GLU P 110      70.085 226.617  96.098  1.00 18.11           N  
-ATOM  25701  CA  GLU P 110      71.553 226.726  96.079  1.00 18.79           C  
-ATOM  25702  C   GLU P 110      72.134 225.860  94.968  1.00 18.09           C  
-ATOM  25703  O   GLU P 110      71.707 224.695  94.758  1.00 17.49           O  
-ATOM  25704  CB  GLU P 110      72.196 226.350  97.414  1.00 19.18           C  
-ATOM  25705  CG  GLU P 110      71.868 227.277  98.587  1.00 24.63           C  
-ATOM  25706  CD  GLU P 110      72.306 228.729  98.357  1.00 31.22           C  
-ATOM  25707  OE1 GLU P 110      73.503 228.972  98.036  1.00 33.42           O  
-ATOM  25708  OE2 GLU P 110      71.428 229.630  98.487  1.00 34.49           O  
-ATOM  25709  N   VAL P 111      73.093 226.430  94.249  1.00 17.07           N  
-ATOM  25710  CA  VAL P 111      73.755 225.697  93.177  1.00 16.54           C  
-ATOM  25711  C   VAL P 111      75.262 225.656  93.427  1.00 16.61           C  
-ATOM  25712  O   VAL P 111      75.856 226.673  93.785  1.00 15.76           O  
-ATOM  25713  CB  VAL P 111      73.521 226.362  91.808  1.00 16.58           C  
-ATOM  25714  CG1 VAL P 111      74.121 225.541  90.697  1.00 15.87           C  
-ATOM  25715  CG2 VAL P 111      72.056 226.650  91.554  1.00 14.92           C  
-ATOM  25716  N   LEU P 112      75.847 224.472  93.248  1.00 16.45           N  
-ATOM  25717  CA  LEU P 112      77.285 224.291  93.244  1.00 16.85           C  
-ATOM  25718  C   LEU P 112      77.725 223.750  91.880  1.00 17.10           C  
-ATOM  25719  O   LEU P 112      77.267 222.706  91.442  1.00 16.67           O  
-ATOM  25720  CB  LEU P 112      77.703 223.312  94.341  1.00 17.12           C  
-ATOM  25721  CG  LEU P 112      79.172 222.805  94.353  1.00 19.24           C  
-ATOM  25722  CD1 LEU P 112      80.174 223.916  94.590  1.00 16.52           C  
-ATOM  25723  CD2 LEU P 112      79.377 221.690  95.427  1.00 20.22           C  
-ATOM  25724  N   TYR P 113      78.559 224.494  91.193  1.00 17.12           N  
-ATOM  25725  CA  TYR P 113      79.127 224.064  89.932  1.00 17.92           C  
-ATOM  25726  C   TYR P 113      80.646 224.085  90.159  1.00 17.84           C  
-ATOM  25727  O   TYR P 113      81.188 225.116  90.569  1.00 17.77           O  
-ATOM  25728  CB  TYR P 113      78.695 224.968  88.782  1.00 17.85           C  
-ATOM  25729  CG  TYR P 113      79.272 224.538  87.463  1.00 19.43           C  
-ATOM  25730  CD1 TYR P 113      79.326 223.176  87.116  1.00 20.14           C  
-ATOM  25731  CD2 TYR P 113      79.767 225.469  86.552  1.00 20.25           C  
-ATOM  25732  CE1 TYR P 113      79.880 222.761  85.903  1.00 21.92           C  
-ATOM  25733  CE2 TYR P 113      80.326 225.044  85.321  1.00 20.12           C  
-ATOM  25734  CZ  TYR P 113      80.368 223.690  85.016  1.00 22.58           C  
-ATOM  25735  OH  TYR P 113      80.934 223.223  83.829  1.00 26.96           O  
-ATOM  25736  N   MET P 114      81.294 222.928  89.986  1.00 17.16           N  
-ATOM  25737  CA  MET P 114      82.720 222.781  90.249  1.00 17.55           C  
-ATOM  25738  C   MET P 114      83.457 222.031  89.142  1.00 17.13           C  
-ATOM  25739  O   MET P 114      83.878 220.896  89.341  1.00 17.01           O  
-ATOM  25740  CB  MET P 114      82.936 222.087  91.591  1.00 17.91           C  
-ATOM  25741  CG  MET P 114      84.351 222.326  92.159  1.00 21.07           C  
-ATOM  25742  SD  MET P 114      84.625 221.825  93.892  1.00 28.47           S  
-ATOM  25743  CE  MET P 114      82.989 221.667  94.469  1.00 26.95           C  
-ATOM  25744  N   PRO P 115      83.640 222.656  87.983  1.00 16.85           N  
-ATOM  25745  CA  PRO P 115      84.370 221.998  86.883  1.00 16.87           C  
-ATOM  25746  C   PRO P 115      85.878 221.980  87.156  1.00 17.05           C  
-ATOM  25747  O   PRO P 115      86.383 222.855  87.883  1.00 16.81           O  
-ATOM  25748  CB  PRO P 115      84.070 222.881  85.671  1.00 16.86           C  
-ATOM  25749  CG  PRO P 115      83.904 224.313  86.282  1.00 16.38           C  
-ATOM  25750  CD  PRO P 115      83.236 224.052  87.634  1.00 16.96           C  
-ATOM  25751  N   SER P 116      86.561 220.940  86.657  1.00 16.95           N  
-ATOM  25752  CA  SER P 116      88.011 220.912  86.624  1.00 17.08           C  
-ATOM  25753  C   SER P 116      88.382 221.594  85.317  1.00 17.13           C  
-ATOM  25754  O   SER P 116      87.869 221.227  84.239  1.00 16.60           O  
-ATOM  25755  CB  SER P 116      88.538 219.464  86.617  1.00 17.25           C  
-ATOM  25756  OG  SER P 116      89.975 219.437  86.580  1.00 18.86           O  
-ATOM  25757  N   ILE P 117      89.259 222.589  85.408  1.00 17.44           N  
-ATOM  25758  CA  ILE P 117      89.604 223.421  84.264  1.00 17.58           C  
-ATOM  25759  C   ILE P 117      91.099 223.421  84.048  1.00 17.49           C  
-ATOM  25760  O   ILE P 117      91.870 223.613  84.975  1.00 17.16           O  
-ATOM  25761  CB  ILE P 117      89.043 224.855  84.451  1.00 18.39           C  
-ATOM  25762  CG1 ILE P 117      87.513 224.822  84.365  1.00 19.92           C  
-ATOM  25763  CG2 ILE P 117      89.643 225.873  83.441  1.00 17.64           C  
-ATOM  25764  CD1 ILE P 117      86.865 226.123  84.392  1.00 20.85           C  
-ATOM  25765  N   ARG P 118      91.502 223.189  82.801  1.00 17.76           N  
-ATOM  25766  CA  ARG P 118      92.877 223.450  82.395  1.00 18.02           C  
-ATOM  25767  C   ARG P 118      92.896 224.732  81.569  1.00 17.82           C  
-ATOM  25768  O   ARG P 118      92.110 224.881  80.610  1.00 17.76           O  
-ATOM  25769  CB  ARG P 118      93.435 222.291  81.560  1.00 18.24           C  
-ATOM  25770  CG  ARG P 118      94.907 222.486  81.250  1.00 19.48           C  
-ATOM  25771  CD  ARG P 118      95.497 221.443  80.363  1.00 23.36           C  
-ATOM  25772  NE  ARG P 118      96.939 221.671  80.163  1.00 26.55           N  
-ATOM  25773  CZ  ARG P 118      97.840 220.696  79.941  1.00 27.99           C  
-ATOM  25774  NH1 ARG P 118      97.472 219.407  79.876  1.00 27.58           N  
-ATOM  25775  NH2 ARG P 118      99.115 221.015  79.755  1.00 27.50           N  
-ATOM  25776  N   GLN P 119      93.779 225.649  81.926  1.00 17.35           N  
-ATOM  25777  CA  GLN P 119      93.852 226.936  81.257  1.00 16.87           C  
-ATOM  25778  C   GLN P 119      95.271 227.535  81.394  1.00 16.70           C  
-ATOM  25779  O   GLN P 119      95.977 227.297  82.387  1.00 16.36           O  
-ATOM  25780  CB  GLN P 119      92.795 227.899  81.848  1.00 17.16           C  
-ATOM  25781  CG  GLN P 119      92.537 229.190  81.060  1.00 17.81           C  
-ATOM  25782  CD  GLN P 119      91.177 229.870  81.436  1.00 18.22           C  
-ATOM  25783  OE1 GLN P 119      90.747 229.861  82.580  1.00 19.92           O  
-ATOM  25784  NE2 GLN P 119      90.526 230.430  80.451  1.00 18.44           N  
-ATOM  25785  N   ARG P 120      95.664 228.322  80.388  1.00 15.71           N  
-ATOM  25786  CA  ARG P 120      96.939 229.048  80.383  1.00 15.43           C  
-ATOM  25787  C   ARG P 120      96.751 230.515  80.796  1.00 14.99           C  
-ATOM  25788  O   ARG P 120      95.733 231.132  80.457  1.00 14.86           O  
-ATOM  25789  CB  ARG P 120      97.568 228.949  78.994  1.00 15.86           C  
-ATOM  25790  CG  ARG P 120      99.077 229.009  78.961  1.00 17.63           C  
-ATOM  25791  CD  ARG P 120      99.676 228.849  77.552  1.00 21.80           C  
-ATOM  25792  NE  ARG P 120     101.120 228.701  77.639  1.00 26.34           N  
-ATOM  25793  CZ  ARG P 120     101.910 228.401  76.620  1.00 31.19           C  
-ATOM  25794  NH1 ARG P 120     101.400 228.236  75.398  1.00 32.58           N  
-ATOM  25795  NH2 ARG P 120     103.225 228.282  76.816  1.00 31.79           N  
-ATOM  25796  N   PHE P 121      97.724 231.065  81.518  1.00 14.61           N  
-ATOM  25797  CA  PHE P 121      97.624 232.407  82.078  1.00 15.61           C  
-ATOM  25798  C   PHE P 121      98.892 233.243  81.803  1.00 15.97           C  
-ATOM  25799  O   PHE P 121     100.018 232.725  81.670  1.00 15.50           O  
-ATOM  25800  CB  PHE P 121      97.305 232.403  83.613  1.00 15.47           C  
-ATOM  25801  CG  PHE P 121      95.995 231.722  83.963  1.00 16.28           C  
-ATOM  25802  CD1 PHE P 121      95.951 230.319  84.190  1.00 14.59           C  
-ATOM  25803  CD2 PHE P 121      94.808 232.450  84.021  1.00 15.09           C  
-ATOM  25804  CE1 PHE P 121      94.732 229.658  84.491  1.00 13.63           C  
-ATOM  25805  CE2 PHE P 121      93.580 231.805  84.306  1.00 16.02           C  
-ATOM  25806  CZ  PHE P 121      93.544 230.413  84.566  1.00 17.41           C  
-ATOM  25807  N   SER P 122      98.694 234.540  81.718  1.00 15.77           N  
-ATOM  25808  CA  SER P 122      99.821 235.452  81.678  1.00 16.55           C  
-ATOM  25809  C   SER P 122      99.957 235.996  83.087  1.00 17.08           C  
-ATOM  25810  O   SER P 122      99.007 236.566  83.636  1.00 16.36           O  
-ATOM  25811  CB  SER P 122      99.548 236.568  80.673  1.00 16.19           C  
-ATOM  25812  OG  SER P 122     100.429 237.672  80.870  1.00 16.47           O  
-ATOM  25813  N   CYS P 123     101.103 235.768  83.700  1.00 17.80           N  
-ATOM  25814  CA  CYS P 123     101.329 236.255  85.070  1.00 20.16           C  
-ATOM  25815  C   CYS P 123     102.791 236.250  85.470  1.00 19.60           C  
-ATOM  25816  O   CYS P 123     103.645 235.850  84.700  1.00 19.52           O  
-ATOM  25817  CB  CYS P 123     100.520 235.433  86.084  1.00 21.04           C  
-ATOM  25818  SG  CYS P 123     100.964 233.676  86.111  1.00 26.35           S  
-ATOM  25819  N   ASP P 124     103.070 236.693  86.688  1.00 19.91           N  
-ATOM  25820  CA  ASP P 124     104.444 236.817  87.163  1.00 19.65           C  
-ATOM  25821  C   ASP P 124     105.006 235.441  87.538  1.00 19.70           C  
-ATOM  25822  O   ASP P 124     104.620 234.848  88.542  1.00 19.43           O  
-ATOM  25823  CB  ASP P 124     104.476 237.760  88.353  1.00 19.62           C  
-ATOM  25824  CG  ASP P 124     105.855 238.348  88.613  1.00 20.37           C  
-ATOM  25825  OD1 ASP P 124     106.839 237.940  87.944  1.00 19.88           O  
-ATOM  25826  OD2 ASP P 124     106.031 239.209  89.512  1.00 21.25           O  
-ATOM  25827  N   VAL P 125     105.907 234.936  86.705  1.00 19.42           N  
-ATOM  25828  CA  VAL P 125     106.569 233.664  86.941  1.00 18.97           C  
-ATOM  25829  C   VAL P 125     107.972 233.861  87.566  1.00 18.85           C  
-ATOM  25830  O   VAL P 125     108.631 232.895  87.968  1.00 18.56           O  
-ATOM  25831  CB  VAL P 125     106.611 232.825  85.625  1.00 19.14           C  
-ATOM  25832  CG1 VAL P 125     107.347 231.514  85.820  1.00 19.27           C  
-ATOM  25833  CG2 VAL P 125     105.197 232.502  85.159  1.00 18.76           C  
-ATOM  25834  N   SER P 126     108.420 235.108  87.677  1.00 18.59           N  
-ATOM  25835  CA  SER P 126     109.737 235.387  88.253  1.00 18.60           C  
-ATOM  25836  C   SER P 126     109.851 234.840  89.684  1.00 18.32           C  
-ATOM  25837  O   SER P 126     108.893 234.916  90.481  1.00 17.88           O  
-ATOM  25838  CB  SER P 126     110.078 236.889  88.199  1.00 18.49           C  
-ATOM  25839  OG  SER P 126     109.195 237.647  89.003  1.00 18.89           O  
-ATOM  25840  N   GLY P 127     111.028 234.284  89.978  1.00 18.03           N  
-ATOM  25841  CA  GLY P 127     111.329 233.695  91.269  1.00 17.74           C  
-ATOM  25842  C   GLY P 127     110.836 232.272  91.468  1.00 17.40           C  
-ATOM  25843  O   GLY P 127     110.966 231.749  92.565  1.00 17.40           O  
-ATOM  25844  N   VAL P 128     110.295 231.644  90.423  1.00 17.04           N  
-ATOM  25845  CA  VAL P 128     109.745 230.295  90.523  1.00 17.03           C  
-ATOM  25846  C   VAL P 128     110.727 229.223  91.070  1.00 16.90           C  
-ATOM  25847  O   VAL P 128     110.289 228.276  91.714  1.00 17.15           O  
-ATOM  25848  CB  VAL P 128     109.036 229.831  89.216  1.00 16.91           C  
-ATOM  25849  CG1 VAL P 128     110.008 229.592  88.113  1.00 16.70           C  
-ATOM  25850  CG2 VAL P 128     108.201 228.574  89.458  1.00 17.18           C  
-ATOM  25851  N   ASP P 129     112.025 229.351  90.811  1.00 14.46           N  
-ATOM  25852  CA  ASP P 129     113.021 228.448  91.404  1.00 13.59           C  
-ATOM  25853  C   ASP P 129     113.916 229.156  92.431  1.00 13.29           C  
-ATOM  25854  O   ASP P 129     115.144 229.085  92.349  1.00 13.56           O  
-ATOM  25855  CB  ASP P 129     113.884 227.752  90.330  1.00 12.83           C  
-ATOM  25856  CG  ASP P 129     114.349 226.358  90.763  1.00 11.85           C  
-ATOM  25857  OD1 ASP P 129     113.922 225.921  91.858  1.00 10.21           O  
-ATOM  25858  OD2 ASP P 129     115.126 225.633  90.088  1.00  7.14           O  
-ATOM  25859  N   THR P 130     113.293 229.842  93.390  1.00 13.32           N  
-ATOM  25860  CA  THR P 130     113.985 230.454  94.537  1.00 13.23           C  
-ATOM  25861  C   THR P 130     113.172 230.069  95.770  1.00 14.20           C  
-ATOM  25862  O   THR P 130     112.060 229.577  95.635  1.00 13.53           O  
-ATOM  25863  CB  THR P 130     114.027 231.993  94.429  1.00 12.93           C  
-ATOM  25864  OG1 THR P 130     112.693 232.509  94.528  1.00 10.70           O  
-ATOM  25865  CG2 THR P 130     114.525 232.469  93.038  1.00 11.76           C  
-ATOM  25866  N   GLU P 131     113.699 230.344  96.962  1.00 15.53           N  
-ATOM  25867  CA  GLU P 131     113.051 229.931  98.210  1.00 17.12           C  
-ATOM  25868  C   GLU P 131     111.665 230.547  98.406  1.00 17.06           C  
-ATOM  25869  O   GLU P 131     110.769 229.958  99.023  1.00 16.16           O  
-ATOM  25870  CB  GLU P 131     113.941 230.257  99.405  1.00 17.17           C  
-ATOM  25871  CG  GLU P 131     114.198 229.065 100.313  1.00 20.82           C  
-ATOM  25872  CD  GLU P 131     113.915 229.366 101.779  1.00 24.19           C  
-ATOM  25873  OE1 GLU P 131     114.752 230.044 102.420  1.00 23.39           O  
-ATOM  25874  OE2 GLU P 131     112.845 228.937 102.283  1.00 25.75           O  
-ATOM  25875  N   SER P 132     111.505 231.747  97.883  1.00 18.10           N  
-ATOM  25876  CA  SER P 132     110.296 232.506  98.109  1.00 18.74           C  
-ATOM  25877  C   SER P 132     109.251 232.264  97.011  1.00 18.77           C  
-ATOM  25878  O   SER P 132     108.072 232.592  97.174  1.00 18.88           O  
-ATOM  25879  CB  SER P 132     110.627 233.983  98.275  1.00 19.08           C  
-ATOM  25880  OG  SER P 132     110.622 234.636  97.029  1.00 20.80           O  
-ATOM  25881  N   GLY P 133     109.687 231.676  95.898  1.00 18.70           N  
-ATOM  25882  CA  GLY P 133     108.796 231.273  94.826  1.00 18.09           C  
-ATOM  25883  C   GLY P 133     108.238 232.420  93.986  1.00 18.39           C  
-ATOM  25884  O   GLY P 133     108.544 233.603  94.201  1.00 17.20           O  
-ATOM  25885  N   ALA P 134     107.399 232.042  93.019  1.00 18.26           N  
-ATOM  25886  CA  ALA P 134     106.704 232.972  92.157  1.00 18.62           C  
-ATOM  25887  C   ALA P 134     105.326 233.238  92.743  1.00 19.14           C  
-ATOM  25888  O   ALA P 134     104.791 232.433  93.495  1.00 18.98           O  
-ATOM  25889  CB  ALA P 134     106.578 232.386  90.749  1.00 17.77           C  
-ATOM  25890  N   THR P 135     104.755 234.388  92.415  1.00 19.98           N  
-ATOM  25891  CA  THR P 135     103.365 234.655  92.754  1.00 20.71           C  
-ATOM  25892  C   THR P 135     102.568 235.029  91.498  1.00 21.67           C  
-ATOM  25893  O   THR P 135     102.683 236.167  90.995  1.00 21.44           O  
-ATOM  25894  CB  THR P 135     103.274 235.757  93.777  1.00 20.55           C  
-ATOM  25895  OG1 THR P 135     104.066 235.404  94.924  1.00 19.91           O  
-ATOM  25896  CG2 THR P 135     101.824 235.861  94.300  1.00 20.20           C  
-ATOM  25897  N   CYS P 136     101.776 234.061  91.019  1.00 21.61           N  
-ATOM  25898  CA  CYS P 136     100.913 234.217  89.857  1.00 22.81           C  
-ATOM  25899  C   CYS P 136      99.524 234.665  90.329  1.00 22.45           C  
-ATOM  25900  O   CYS P 136      98.901 234.019  91.159  1.00 22.72           O  
-ATOM  25901  CB  CYS P 136     100.809 232.892  89.060  1.00 23.20           C  
-ATOM  25902  SG  CYS P 136      99.727 232.914  87.577  1.00 29.18           S  
-ATOM  25903  N   ARG P 137      99.051 235.782  89.801  1.00 22.19           N  
-ATOM  25904  CA  ARG P 137      97.761 236.322  90.189  1.00 21.93           C  
-ATOM  25905  C   ARG P 137      96.734 236.064  89.095  1.00 20.57           C  
-ATOM  25906  O   ARG P 137      96.945 236.382  87.932  1.00 20.29           O  
-ATOM  25907  CB  ARG P 137      97.873 237.825  90.540  1.00 22.10           C  
-ATOM  25908  CG  ARG P 137      98.497 238.058  91.921  1.00 25.94           C  
-ATOM  25909  CD  ARG P 137      98.889 239.551  92.273  1.00 32.44           C  
-ATOM  25910  NE  ARG P 137     100.229 239.713  92.873  1.00 34.53           N  
-ATOM  25911  CZ  ARG P 137     100.521 239.588  94.187  1.00 37.85           C  
-ATOM  25912  NH1 ARG P 137      99.576 239.272  95.074  1.00 36.19           N  
-ATOM  25913  NH2 ARG P 137     101.780 239.762  94.615  1.00 37.19           N  
-ATOM  25914  N   ILE P 138      95.629 235.455  89.481  1.00 19.33           N  
-ATOM  25915  CA  ILE P 138      94.566 235.150  88.530  1.00 18.62           C  
-ATOM  25916  C   ILE P 138      93.328 235.948  88.862  1.00 18.01           C  
-ATOM  25917  O   ILE P 138      92.781 235.850  89.952  1.00 17.73           O  
-ATOM  25918  CB  ILE P 138      94.233 233.657  88.536  1.00 18.07           C  
-ATOM  25919  CG1 ILE P 138      95.417 232.866  87.994  1.00 18.17           C  
-ATOM  25920  CG2 ILE P 138      92.948 233.419  87.752  1.00 17.45           C  
-ATOM  25921  CD1 ILE P 138      95.387 231.370  88.495  1.00 19.32           C  
-ATOM  25922  N   LYS P 139      92.887 236.747  87.906  1.00 17.48           N  
-ATOM  25923  CA  LYS P 139      91.762 237.655  88.143  1.00 17.25           C  
-ATOM  25924  C   LYS P 139      90.490 237.082  87.500  1.00 16.76           C  
-ATOM  25925  O   LYS P 139      90.462 236.894  86.310  1.00 16.97           O  
-ATOM  25926  CB  LYS P 139      92.110 239.009  87.543  1.00 15.57           C  
-ATOM  25927  CG  LYS P 139      90.950 240.004  87.456  1.00 19.21           C  
-ATOM  25928  CD  LYS P 139      91.466 241.418  86.975  1.00 14.55           C  
-ATOM  25929  CE  LYS P 139      90.281 242.343  86.646  1.00 16.70           C  
-ATOM  25930  NZ  LYS P 139      90.607 243.383  85.589  1.00 20.98           N  
-ATOM  25931  N   ILE P 140      89.452 236.859  88.286  1.00 16.30           N  
-ATOM  25932  CA  ILE P 140      88.217 236.276  87.788  1.00 16.55           C  
-ATOM  25933  C   ILE P 140      87.009 237.109  88.166  1.00 15.80           C  
-ATOM  25934  O   ILE P 140      86.853 237.471  89.334  1.00 15.19           O  
-ATOM  25935  CB  ILE P 140      88.057 234.841  88.387  1.00 16.99           C  
-ATOM  25936  CG1 ILE P 140      89.202 233.931  87.941  1.00 19.03           C  
-ATOM  25937  CG2 ILE P 140      86.674 234.236  88.014  1.00 13.82           C  
-ATOM  25938  CD1 ILE P 140      89.178 232.585  88.704  1.00 25.14           C  
-ATOM  25939  N   GLY P 141      86.135 237.371  87.193  1.00 15.12           N  
-ATOM  25940  CA  GLY P 141      84.904 238.114  87.465  1.00 14.55           C  
-ATOM  25941  C   GLY P 141      83.879 237.979  86.374  1.00 14.43           C  
-ATOM  25942  O   GLY P 141      84.180 237.359  85.355  1.00 14.61           O  
-ATOM  25943  N   SER P 142      82.655 238.481  86.594  1.00 13.55           N  
-ATOM  25944  CA  SER P 142      81.644 238.470  85.525  1.00 13.34           C  
-ATOM  25945  C   SER P 142      82.179 239.249  84.334  1.00 13.48           C  
-ATOM  25946  O   SER P 142      82.788 240.317  84.486  1.00 13.24           O  
-ATOM  25947  CB  SER P 142      80.310 239.101  85.938  1.00 13.13           C  
-ATOM  25948  OG  SER P 142      79.394 239.127  84.832  1.00 13.52           O  
-ATOM  25949  N   TRP P 143      81.968 238.724  83.140  1.00 12.50           N  
-ATOM  25950  CA  TRP P 143      82.375 239.432  81.946  1.00 12.05           C  
-ATOM  25951  C   TRP P 143      81.458 240.609  81.586  1.00 12.31           C  
-ATOM  25952  O   TRP P 143      81.947 241.654  81.066  1.00 12.28           O  
-ATOM  25953  CB  TRP P 143      82.436 238.507  80.748  1.00 12.43           C  
-ATOM  25954  CG  TRP P 143      83.221 239.125  79.608  1.00 11.07           C  
-ATOM  25955  CD1 TRP P 143      82.721 239.552  78.404  1.00 11.28           C  
-ATOM  25956  CD2 TRP P 143      84.623 239.450  79.597  1.00  7.87           C  
-ATOM  25957  NE1 TRP P 143      83.733 240.023  77.615  1.00  7.29           N  
-ATOM  25958  CE2 TRP P 143      84.909 239.999  78.316  1.00  8.41           C  
-ATOM  25959  CE3 TRP P 143      85.669 239.336  80.541  1.00  6.42           C  
-ATOM  25960  CZ2 TRP P 143      86.187 240.469  77.954  1.00  8.97           C  
-ATOM  25961  CZ3 TRP P 143      86.949 239.743  80.165  1.00  8.29           C  
-ATOM  25962  CH2 TRP P 143      87.182 240.348  78.886  1.00 11.67           C  
-ATOM  25963  N   THR P 144      80.139 240.426  81.764  1.00 11.55           N  
-ATOM  25964  CA  THR P 144      79.167 241.422  81.342  1.00 11.36           C  
-ATOM  25965  C   THR P 144      78.250 241.988  82.448  1.00 11.61           C  
-ATOM  25966  O   THR P 144      77.410 242.823  82.134  1.00 10.97           O  
-ATOM  25967  CB  THR P 144      78.237 240.905  80.216  1.00 10.58           C  
-ATOM  25968  OG1 THR P 144      77.341 239.934  80.781  1.00 13.51           O  
-ATOM  25969  CG2 THR P 144      79.035 240.206  79.092  1.00  8.86           C  
-ATOM  25970  N   HIS P 145      78.360 241.496  83.692  1.00 11.26           N  
-ATOM  25971  CA  HIS P 145      77.428 241.890  84.739  1.00 10.98           C  
-ATOM  25972  C   HIS P 145      78.160 242.757  85.748  1.00 11.28           C  
-ATOM  25973  O   HIS P 145      79.086 242.324  86.420  1.00 11.36           O  
-ATOM  25974  CB  HIS P 145      76.811 240.707  85.469  1.00 12.13           C  
-ATOM  25975  CG  HIS P 145      75.835 239.960  84.635  1.00 10.19           C  
-ATOM  25976  ND1 HIS P 145      74.562 240.440  84.371  1.00  8.59           N  
-ATOM  25977  CD2 HIS P 145      75.976 238.826  83.924  1.00  9.80           C  
-ATOM  25978  CE1 HIS P 145      73.951 239.590  83.565  1.00 14.22           C  
-ATOM  25979  NE2 HIS P 145      74.779 238.585  83.299  1.00  9.09           N  
-ATOM  25980  N   HIS P 146      77.729 243.983  85.853  1.00 10.22           N  
-ATOM  25981  CA  HIS P 146      78.375 244.877  86.788  1.00 11.45           C  
-ATOM  25982  C   HIS P 146      77.931 244.616  88.229  1.00 11.41           C  
-ATOM  25983  O   HIS P 146      77.131 243.702  88.484  1.00 11.45           O  
-ATOM  25984  CB  HIS P 146      78.162 246.303  86.346  1.00 10.64           C  
-ATOM  25985  CG  HIS P 146      76.728 246.682  86.219  1.00 12.23           C  
-ATOM  25986  ND1 HIS P 146      75.821 246.491  87.231  1.00 11.03           N  
-ATOM  25987  CD2 HIS P 146      76.059 247.307  85.221  1.00 13.21           C  
-ATOM  25988  CE1 HIS P 146      74.643 246.955  86.850  1.00 12.80           C  
-ATOM  25989  NE2 HIS P 146      74.758 247.441  85.626  1.00  8.77           N  
-ATOM  25990  N   SER P 147      78.450 245.413  89.153  1.00 11.93           N  
-ATOM  25991  CA  SER P 147      78.351 245.151  90.584  1.00 11.95           C  
-ATOM  25992  C   SER P 147      76.938 245.192  91.172  1.00 11.90           C  
-ATOM  25993  O   SER P 147      76.702 244.630  92.234  1.00 12.24           O  
-ATOM  25994  CB  SER P 147      79.305 246.071  91.321  1.00 11.46           C  
-ATOM  25995  OG  SER P 147      78.647 247.316  91.592  1.00 15.26           O  
-ATOM  25996  N   ARG P 148      75.997 245.844  90.496  1.00 12.27           N  
-ATOM  25997  CA  ARG P 148      74.593 245.758  90.935  1.00 12.55           C  
-ATOM  25998  C   ARG P 148      73.909 244.460  90.474  1.00 12.25           C  
-ATOM  25999  O   ARG P 148      72.798 244.180  90.849  1.00 12.58           O  
-ATOM  26000  CB  ARG P 148      73.793 246.988  90.493  1.00 10.83           C  
-ATOM  26001  CG  ARG P 148      74.295 248.326  91.139  1.00 11.63           C  
-ATOM  26002  CD  ARG P 148      73.511 249.573  90.695  1.00 11.88           C  
-ATOM  26003  NE  ARG P 148      73.574 249.823  89.262  1.00  8.31           N  
-ATOM  26004  CZ  ARG P 148      72.503 249.976  88.484  1.00 12.79           C  
-ATOM  26005  NH1 ARG P 148      71.263 249.876  89.003  1.00  8.07           N  
-ATOM  26006  NH2 ARG P 148      72.662 250.210  87.167  1.00  9.54           N  
-ATOM  26007  N   GLU P 149      74.576 243.689  89.640  1.00 11.77           N  
-ATOM  26008  CA  GLU P 149      73.952 242.504  89.075  1.00 12.20           C  
-ATOM  26009  C   GLU P 149      74.665 241.228  89.563  1.00 12.31           C  
-ATOM  26010  O   GLU P 149      74.003 240.263  89.890  1.00 12.29           O  
-ATOM  26011  CB  GLU P 149      73.956 242.599  87.566  1.00 10.03           C  
-ATOM  26012  CG  GLU P 149      73.017 243.665  87.019  1.00 11.83           C  
-ATOM  26013  CD  GLU P 149      72.979 243.731  85.493  1.00 13.99           C  
-ATOM  26014  OE1 GLU P 149      73.457 242.794  84.837  1.00 16.10           O  
-ATOM  26015  OE2 GLU P 149      72.521 244.761  84.933  1.00 17.63           O  
-ATOM  26016  N   ILE P 150      75.997 241.226  89.551  1.00 12.26           N  
-ATOM  26017  CA  ILE P 150      76.771 240.159  90.172  1.00 13.33           C  
-ATOM  26018  C   ILE P 150      77.826 240.713  91.136  1.00 14.59           C  
-ATOM  26019  O   ILE P 150      78.597 241.587  90.774  1.00 14.72           O  
-ATOM  26020  CB  ILE P 150      77.439 239.248  89.124  1.00 12.72           C  
-ATOM  26021  CG1 ILE P 150      76.408 238.310  88.482  1.00  9.51           C  
-ATOM  26022  CG2 ILE P 150      78.526 238.448  89.773  1.00 12.90           C  
-ATOM  26023  CD1 ILE P 150      77.019 237.410  87.366  1.00 11.72           C  
-ATOM  26024  N   SER P 151      77.829 240.219  92.362  1.00 15.41           N  
-ATOM  26025  CA  SER P 151      78.975 240.378  93.222  1.00 17.88           C  
-ATOM  26026  C   SER P 151      79.777 239.050  93.314  1.00 19.44           C  
-ATOM  26027  O   SER P 151      79.206 237.959  93.284  1.00 19.15           O  
-ATOM  26028  CB  SER P 151      78.560 240.886  94.589  1.00 16.85           C  
-ATOM  26029  OG  SER P 151      77.834 239.903  95.243  1.00 21.76           O  
-ATOM  26030  N   VAL P 152      81.097 239.167  93.381  1.00 20.90           N  
-ATOM  26031  CA  VAL P 152      81.943 237.993  93.475  1.00 22.99           C  
-ATOM  26032  C   VAL P 152      82.681 238.088  94.805  1.00 24.76           C  
-ATOM  26033  O   VAL P 152      83.286 239.114  95.099  1.00 24.58           O  
-ATOM  26034  CB  VAL P 152      82.929 237.899  92.315  1.00 23.44           C  
-ATOM  26035  CG1 VAL P 152      82.573 236.734  91.357  1.00 24.40           C  
-ATOM  26036  CG2 VAL P 152      82.967 239.161  91.519  1.00 23.98           C  
-ATOM  26037  N   ASP P 153      82.538 237.064  95.641  1.00 27.27           N  
-ATOM  26038  CA  ASP P 153      83.275 236.936  96.912  1.00 30.24           C  
-ATOM  26039  C   ASP P 153      84.070 235.630  96.898  1.00 31.47           C  
-ATOM  26040  O   ASP P 153      83.675 234.669  96.244  1.00 30.99           O  
-ATOM  26041  CB  ASP P 153      82.329 236.886  98.104  1.00 29.65           C  
-ATOM  26042  CG  ASP P 153      82.019 238.261  98.669  1.00 34.20           C  
-ATOM  26043  OD1 ASP P 153      81.456 239.107  97.928  1.00 37.53           O  
-ATOM  26044  OD2 ASP P 153      82.271 238.586  99.860  1.00 36.02           O  
-ATOM  26045  N   PRO P 154      85.174 235.576  97.630  1.00 33.29           N  
-ATOM  26046  CA  PRO P 154      85.895 234.318  97.780  1.00 35.57           C  
-ATOM  26047  C   PRO P 154      85.174 233.398  98.768  1.00 37.78           C  
-ATOM  26048  O   PRO P 154      84.772 233.868  99.834  1.00 38.18           O  
-ATOM  26049  CB  PRO P 154      87.251 234.760  98.351  1.00 35.22           C  
-ATOM  26050  CG  PRO P 154      87.254 236.231  98.288  1.00 33.44           C  
-ATOM  26051  CD  PRO P 154      85.832 236.667  98.361  1.00 33.43           C  
-ATOM  26052  N   THR P 155      84.980 232.132  98.398  1.00 40.75           N  
-ATOM  26053  CA  THR P 155      84.769 231.063  99.393  1.00 44.16           C  
-ATOM  26054  C   THR P 155      86.107 230.921 100.135  1.00 45.50           C  
-ATOM  26055  O   THR P 155      87.012 230.234  99.653  1.00 45.62           O  
-ATOM  26056  CB  THR P 155      84.387 229.682  98.725  1.00 44.05           C  
-ATOM  26057  OG1 THR P 155      83.929 229.863  97.374  1.00 45.19           O  
-ATOM  26058  CG2 THR P 155      83.188 229.023  99.423  1.00 45.41           C  
-ATOM  26059  N   THR P 156      86.276 231.588 101.272  1.00 48.18           N  
-ATOM  26060  CA  THR P 156      87.590 231.527 101.943  1.00 50.64           C  
-ATOM  26061  C   THR P 156      87.673 230.248 102.805  1.00 52.35           C  
-ATOM  26062  O   THR P 156      87.895 230.277 104.039  1.00 52.53           O  
-ATOM  26063  CB  THR P 156      87.958 232.853 102.675  1.00 50.64           C  
-ATOM  26064  OG1 THR P 156      87.917 233.942 101.740  1.00 50.90           O  
-ATOM  26065  CG2 THR P 156      89.435 232.858 103.101  1.00 51.46           C  
-ATOM  26066  N   GLU P 157      87.451 229.134 102.090  1.00 54.43           N  
-ATOM  26067  CA  GLU P 157      87.585 227.759 102.570  1.00 56.13           C  
-ATOM  26068  C   GLU P 157      89.051 227.539 102.937  1.00 56.80           C  
-ATOM  26069  O   GLU P 157      89.886 227.194 102.086  1.00 57.04           O  
-ATOM  26070  CB  GLU P 157      87.153 226.753 101.475  1.00 56.43           C  
-ATOM  26071  CG  GLU P 157      85.672 226.770 101.091  1.00 57.60           C  
-ATOM  26072  CD  GLU P 157      84.989 225.405 101.190  1.00 60.27           C  
-ATOM  26073  OE1 GLU P 157      85.686 224.352 101.208  1.00 61.67           O  
-ATOM  26074  OE2 GLU P 157      83.734 225.383 101.247  1.00 60.13           O  
-ATOM  26075  N   ASN P 158      89.380 227.770 104.202  1.00 57.46           N  
-ATOM  26076  CA  ASN P 158      90.769 227.614 104.601  1.00 57.80           C  
-ATOM  26077  C   ASN P 158      91.091 226.152 104.902  1.00 57.58           C  
-ATOM  26078  O   ASN P 158      91.517 225.787 106.002  1.00 57.70           O  
-ATOM  26079  CB  ASN P 158      91.170 228.603 105.702  1.00 57.92           C  
-ATOM  26080  CG  ASN P 158      91.273 230.021 105.182  1.00 58.79           C  
-ATOM  26081  OD1 ASN P 158      92.316 230.434 104.672  1.00 59.69           O  
-ATOM  26082  ND2 ASN P 158      90.177 230.766 105.278  1.00 59.39           N  
-ATOM  26083  N   SER P 159      90.825 225.318 103.895  1.00 57.20           N  
-ATOM  26084  CA  SER P 159      91.500 224.040 103.754  1.00 56.63           C  
-ATOM  26085  C   SER P 159      92.863 224.378 103.151  1.00 56.19           C  
-ATOM  26086  O   SER P 159      93.079 225.501 102.656  1.00 56.01           O  
-ATOM  26087  CB  SER P 159      90.705 223.060 102.870  1.00 56.85           C  
-ATOM  26088  OG  SER P 159      90.052 223.706 101.780  1.00 57.40           O  
-ATOM  26089  N   ASP P 160      93.782 223.420 103.226  1.00 55.56           N  
-ATOM  26090  CA  ASP P 160      95.133 223.580 102.713  1.00 54.57           C  
-ATOM  26091  C   ASP P 160      95.107 224.100 101.286  1.00 53.64           C  
-ATOM  26092  O   ASP P 160      94.170 223.842 100.504  1.00 53.69           O  
-ATOM  26093  CB  ASP P 160      95.872 222.242 102.776  1.00 54.99           C  
-ATOM  26094  CG  ASP P 160      97.387 222.397 102.802  1.00 56.33           C  
-ATOM  26095  OD1 ASP P 160      97.893 223.442 103.292  1.00 56.60           O  
-ATOM  26096  OD2 ASP P 160      98.151 221.507 102.353  1.00 57.74           O  
-ATOM  26097  N   ASP P 161      96.132 224.863 100.951  1.00 52.18           N  
-ATOM  26098  CA  ASP P 161      96.242 225.411  99.609  1.00 50.84           C  
-ATOM  26099  C   ASP P 161      96.684 224.263  98.698  1.00 49.45           C  
-ATOM  26100  O   ASP P 161      96.051 223.981  97.671  1.00 49.02           O  
-ATOM  26101  CB  ASP P 161      97.214 226.593  99.624  1.00 50.99           C  
-ATOM  26102  CG  ASP P 161      96.924 227.568 100.762  1.00 51.42           C  
-ATOM  26103  OD1 ASP P 161      95.821 228.175 100.754  1.00 50.20           O  
-ATOM  26104  OD2 ASP P 161      97.729 227.767 101.710  1.00 52.41           O  
-ATOM  26105  N   SER P 162      97.738 223.570  99.133  1.00 47.41           N  
-ATOM  26106  CA  SER P 162      98.116 222.270  98.573  1.00 45.75           C  
-ATOM  26107  C   SER P 162      97.103 221.191  98.985  1.00 43.68           C  
-ATOM  26108  O   SER P 162      97.473 220.046  99.309  1.00 43.96           O  
-ATOM  26109  CB  SER P 162      99.526 221.869  99.028  1.00 45.75           C  
-ATOM  26110  OG  SER P 162     100.409 222.984  98.996  1.00 47.17           O  
-ATOM  26111  N   GLU P 163      95.833 221.566  99.029  1.00 40.53           N  
-ATOM  26112  CA  GLU P 163      94.813 220.566  99.249  1.00 38.15           C  
-ATOM  26113  C   GLU P 163      94.304 220.206  97.879  1.00 35.42           C  
-ATOM  26114  O   GLU P 163      93.935 221.086  97.091  1.00 35.72           O  
-ATOM  26115  CB  GLU P 163      93.692 221.091 100.121  1.00 38.62           C  
-ATOM  26116  CG  GLU P 163      92.960 219.987 100.860  1.00 39.58           C  
-ATOM  26117  CD  GLU P 163      91.461 220.175 100.791  1.00 41.10           C  
-ATOM  26118  OE1 GLU P 163      91.014 221.114 100.070  1.00 38.98           O  
-ATOM  26119  OE2 GLU P 163      90.742 219.385 101.454  1.00 41.00           O  
-ATOM  26120  N   TYR P 164      94.335 218.911  97.592  1.00 32.03           N  
-ATOM  26121  CA  TYR P 164      94.062 218.365  96.258  1.00 28.70           C  
-ATOM  26122  C   TYR P 164      95.184 218.560  95.257  1.00 26.05           C  
-ATOM  26123  O   TYR P 164      95.127 217.970  94.182  1.00 26.32           O  
-ATOM  26124  CB  TYR P 164      92.774 218.900  95.639  1.00 28.87           C  
-ATOM  26125  CG  TYR P 164      91.603 218.947  96.549  1.00 29.84           C  
-ATOM  26126  CD1 TYR P 164      90.840 220.102  96.629  1.00 31.09           C  
-ATOM  26127  CD2 TYR P 164      91.236 217.841  97.319  1.00 29.80           C  
-ATOM  26128  CE1 TYR P 164      89.747 220.178  97.452  1.00 32.51           C  
-ATOM  26129  CE2 TYR P 164      90.134 217.904  98.155  1.00 33.04           C  
-ATOM  26130  CZ  TYR P 164      89.395 219.086  98.211  1.00 32.85           C  
-ATOM  26131  OH  TYR P 164      88.295 219.204  99.021  1.00 34.72           O  
-ATOM  26132  N   PHE P 165      96.186 219.383  95.584  1.00 22.38           N  
-ATOM  26133  CA  PHE P 165      97.328 219.553  94.693  1.00 20.09           C  
-ATOM  26134  C   PHE P 165      98.098 218.256  94.559  1.00 19.23           C  
-ATOM  26135  O   PHE P 165      98.396 217.576  95.568  1.00 19.05           O  
-ATOM  26136  CB  PHE P 165      98.246 220.675  95.158  1.00 19.63           C  
-ATOM  26137  CG  PHE P 165      99.206 221.128  94.108  1.00 18.44           C  
-ATOM  26138  CD1 PHE P 165      98.768 221.895  93.042  1.00 17.69           C  
-ATOM  26139  CD2 PHE P 165     100.546 220.783  94.182  1.00 17.29           C  
-ATOM  26140  CE1 PHE P 165      99.656 222.312  92.034  1.00 18.21           C  
-ATOM  26141  CE2 PHE P 165     101.447 221.197  93.196  1.00 17.53           C  
-ATOM  26142  CZ  PHE P 165     101.000 221.956  92.115  1.00 17.34           C  
-ATOM  26143  N   SER P 166      98.405 217.891  93.320  1.00 18.26           N  
-ATOM  26144  CA  SER P 166      99.129 216.642  93.048  1.00 17.41           C  
-ATOM  26145  C   SER P 166     100.514 216.560  93.710  1.00 16.96           C  
-ATOM  26146  O   SER P 166     101.327 217.463  93.585  1.00 15.53           O  
-ATOM  26147  CB  SER P 166      99.247 216.432  91.546  1.00 17.45           C  
-ATOM  26148  OG  SER P 166     100.112 215.354  91.247  1.00 17.25           O  
-ATOM  26149  N   GLN P 167     100.765 215.443  94.401  1.00 17.18           N  
-ATOM  26150  CA  GLN P 167     102.065 215.159  95.002  1.00 17.65           C  
-ATOM  26151  C   GLN P 167     103.129 214.813  93.942  1.00 17.47           C  
-ATOM  26152  O   GLN P 167     104.300 214.686  94.274  1.00 16.85           O  
-ATOM  26153  CB  GLN P 167     101.950 214.013  96.020  1.00 18.35           C  
-ATOM  26154  CG  GLN P 167     101.655 212.651  95.360  1.00 19.73           C  
-ATOM  26155  CD  GLN P 167     101.441 211.507  96.355  1.00 22.65           C  
-ATOM  26156  OE1 GLN P 167     102.378 211.026  96.989  1.00 22.66           O  
-ATOM  26157  NE2 GLN P 167     100.197 211.071  96.479  1.00 22.11           N  
-ATOM  26158  N   TYR P 168     102.698 214.682  92.679  1.00 17.61           N  
-ATOM  26159  CA  TYR P 168     103.578 214.287  91.568  1.00 17.38           C  
-ATOM  26160  C   TYR P 168     104.009 215.460  90.695  1.00 17.12           C  
-ATOM  26161  O   TYR P 168     104.964 215.341  89.937  1.00 17.48           O  
-ATOM  26162  CB  TYR P 168     102.935 213.171  90.738  1.00 17.64           C  
-ATOM  26163  CG  TYR P 168     102.645 211.954  91.586  1.00 17.27           C  
-ATOM  26164  CD1 TYR P 168     103.667 211.317  92.295  1.00 17.05           C  
-ATOM  26165  CD2 TYR P 168     101.341 211.475  91.724  1.00 17.26           C  
-ATOM  26166  CE1 TYR P 168     103.408 210.197  93.106  1.00 17.95           C  
-ATOM  26167  CE2 TYR P 168     101.060 210.352  92.527  1.00 16.76           C  
-ATOM  26168  CZ  TYR P 168     102.110 209.725  93.218  1.00 17.68           C  
-ATOM  26169  OH  TYR P 168     101.866 208.639  94.021  1.00 18.83           O  
-ATOM  26170  N   SER P 169     103.328 216.590  90.838  1.00 16.13           N  
-ATOM  26171  CA  SER P 169     103.801 217.844  90.270  1.00 16.04           C  
-ATOM  26172  C   SER P 169     105.280 218.130  90.518  1.00 16.31           C  
-ATOM  26173  O   SER P 169     105.871 217.703  91.522  1.00 15.79           O  
-ATOM  26174  CB  SER P 169     102.994 219.006  90.817  1.00 15.71           C  
-ATOM  26175  OG  SER P 169     103.275 220.184  90.090  1.00 15.88           O  
-ATOM  26176  N   ARG P 170     105.872 218.869  89.582  1.00 16.80           N  
-ATOM  26177  CA  ARG P 170     107.250 219.350  89.709  1.00 16.87           C  
-ATOM  26178  C   ARG P 170     107.285 220.542  90.665  1.00 15.95           C  
-ATOM  26179  O   ARG P 170     108.353 220.983  91.084  1.00 15.51           O  
-ATOM  26180  CB  ARG P 170     107.730 219.813  88.344  1.00 17.46           C  
-ATOM  26181  CG  ARG P 170     108.724 218.889  87.670  1.00 20.22           C  
-ATOM  26182  CD  ARG P 170     109.164 219.446  86.316  1.00 23.91           C  
-ATOM  26183  NE  ARG P 170     108.026 219.987  85.563  1.00 26.53           N  
-ATOM  26184  CZ  ARG P 170     108.123 220.809  84.510  1.00 27.51           C  
-ATOM  26185  NH1 ARG P 170     109.318 221.187  84.055  1.00 25.16           N  
-ATOM  26186  NH2 ARG P 170     107.009 221.228  83.898  1.00 25.26           N  
-ATOM  26187  N   PHE P 171     106.100 221.047  91.000  1.00 14.74           N  
-ATOM  26188  CA  PHE P 171     105.946 222.263  91.798  1.00 14.85           C  
-ATOM  26189  C   PHE P 171     105.333 221.946  93.118  1.00 15.10           C  
-ATOM  26190  O   PHE P 171     104.700 220.904  93.284  1.00 15.06           O  
-ATOM  26191  CB  PHE P 171     105.072 223.285  91.055  1.00 13.27           C  
-ATOM  26192  CG  PHE P 171     105.615 223.613  89.717  1.00 14.07           C  
-ATOM  26193  CD1 PHE P 171     105.322 222.801  88.617  1.00 10.95           C  
-ATOM  26194  CD2 PHE P 171     106.511 224.684  89.558  1.00 12.01           C  
-ATOM  26195  CE1 PHE P 171     105.884 223.061  87.374  1.00 11.17           C  
-ATOM  26196  CE2 PHE P 171     107.050 224.955  88.324  1.00 11.78           C  
-ATOM  26197  CZ  PHE P 171     106.747 224.133  87.226  1.00 11.14           C  
-ATOM  26198  N   GLU P 172     105.526 222.855  94.058  1.00 15.81           N  
-ATOM  26199  CA  GLU P 172     104.750 222.824  95.289  1.00 17.02           C  
-ATOM  26200  C   GLU P 172     104.101 224.191  95.531  1.00 17.29           C  
-ATOM  26201  O   GLU P 172     104.621 225.219  95.088  1.00 17.41           O  
-ATOM  26202  CB  GLU P 172     105.641 222.435  96.467  1.00 17.26           C  
-ATOM  26203  CG  GLU P 172     106.880 223.308  96.615  1.00 18.94           C  
-ATOM  26204  CD  GLU P 172     107.811 222.842  97.713  1.00 22.43           C  
-ATOM  26205  OE1 GLU P 172     107.386 222.027  98.545  1.00 25.25           O  
-ATOM  26206  OE2 GLU P 172     108.977 223.288  97.752  1.00 22.78           O  
-ATOM  26207  N   ILE P 173     102.979 224.189  96.237  1.00 17.53           N  
-ATOM  26208  CA  ILE P 173     102.273 225.428  96.538  1.00 18.27           C  
-ATOM  26209  C   ILE P 173     102.656 225.918  97.909  1.00 18.61           C  
-ATOM  26210  O   ILE P 173     102.589 225.170  98.881  1.00 18.45           O  
-ATOM  26211  CB  ILE P 173     100.772 225.237  96.438  1.00 18.34           C  
-ATOM  26212  CG1 ILE P 173     100.385 225.019  94.968  1.00 18.64           C  
-ATOM  26213  CG2 ILE P 173     100.041 226.435  97.070  1.00 18.27           C  
-ATOM  26214  CD1 ILE P 173      98.951 224.677  94.756  1.00 20.59           C  
-ATOM  26215  N   LEU P 174     103.095 227.166  97.973  1.00 18.71           N  
-ATOM  26216  CA  LEU P 174     103.486 227.753  99.240  1.00 19.44           C  
-ATOM  26217  C   LEU P 174     102.296 228.382  99.944  1.00 19.79           C  
-ATOM  26218  O   LEU P 174     102.131 228.228 101.161  1.00 19.82           O  
-ATOM  26219  CB  LEU P 174     104.616 228.760  99.041  1.00 19.11           C  
-ATOM  26220  CG  LEU P 174     105.890 228.168  98.426  1.00 19.46           C  
-ATOM  26221  CD1 LEU P 174     106.876 229.270  98.144  1.00 19.53           C  
-ATOM  26222  CD2 LEU P 174     106.540 227.071  99.297  1.00 18.99           C  
-ATOM  26223  N   ASP P 175     101.455 229.051  99.163  1.00 20.05           N  
-ATOM  26224  CA  ASP P 175     100.335 229.822  99.683  1.00 20.99           C  
-ATOM  26225  C   ASP P 175      99.354 230.211  98.578  1.00 20.95           C  
-ATOM  26226  O   ASP P 175      99.723 230.432  97.434  1.00 20.42           O  
-ATOM  26227  CB  ASP P 175     100.870 231.100 100.373  1.00 21.93           C  
-ATOM  26228  CG  ASP P 175     100.017 231.544 101.564  1.00 24.36           C  
-ATOM  26229  OD1 ASP P 175      98.892 231.007 101.745  1.00 26.34           O  
-ATOM  26230  OD2 ASP P 175     100.404 232.437 102.360  1.00 27.76           O  
-ATOM  26231  N   VAL P 176      98.085 230.277  98.948  1.00 21.55           N  
-ATOM  26232  CA  VAL P 176      97.034 230.820  98.103  1.00 22.02           C  
-ATOM  26233  C   VAL P 176      96.265 231.880  98.908  1.00 22.84           C  
-ATOM  26234  O   VAL P 176      95.723 231.597  99.970  1.00 23.00           O  
-ATOM  26235  CB  VAL P 176      96.082 229.731  97.599  1.00 21.84           C  
-ATOM  26236  CG1 VAL P 176      95.053 230.318  96.624  1.00 21.29           C  
-ATOM  26237  CG2 VAL P 176      96.858 228.590  96.906  1.00 20.94           C  
-ATOM  26238  N   THR P 177      96.244 233.110  98.408  1.00 23.42           N  
-ATOM  26239  CA  THR P 177      95.401 234.155  98.990  1.00 24.03           C  
-ATOM  26240  C   THR P 177      94.431 234.753  97.953  1.00 24.10           C  
-ATOM  26241  O   THR P 177      94.728 234.787  96.767  1.00 23.56           O  
-ATOM  26242  CB  THR P 177      96.259 235.270  99.578  1.00 24.22           C  
-ATOM  26243  OG1 THR P 177      97.199 235.698  98.595  1.00 25.16           O  
-ATOM  26244  CG2 THR P 177      97.166 234.784 100.751  1.00 24.94           C  
-ATOM  26245  N   GLN P 178      93.264 235.206  98.405  1.00 25.56           N  
-ATOM  26246  CA  GLN P 178      92.308 235.928  97.537  1.00 27.41           C  
-ATOM  26247  C   GLN P 178      92.220 237.418  97.897  1.00 27.43           C  
-ATOM  26248  O   GLN P 178      92.548 237.802  99.006  1.00 26.91           O  
-ATOM  26249  CB  GLN P 178      90.908 235.324  97.625  1.00 27.44           C  
-ATOM  26250  CG  GLN P 178      90.774 234.177  98.615  1.00 32.41           C  
-ATOM  26251  CD  GLN P 178      90.840 232.826  97.926  1.00 35.73           C  
-ATOM  26252  OE1 GLN P 178      89.920 232.458  97.159  1.00 39.70           O  
-ATOM  26253  NE2 GLN P 178      91.931 232.085  98.169  1.00 33.02           N  
-ATOM  26254  N   LYS P 179      91.749 238.230  96.951  1.00 27.51           N  
-ATOM  26255  CA  LYS P 179      91.501 239.668  97.149  1.00 26.92           C  
-ATOM  26256  C   LYS P 179      90.317 240.138  96.265  1.00 25.36           C  
-ATOM  26257  O   LYS P 179      90.317 239.921  95.058  1.00 23.51           O  
-ATOM  26258  CB  LYS P 179      92.744 240.473  96.777  1.00 27.47           C  
-ATOM  26259  CG  LYS P 179      92.980 241.715  97.628  1.00 31.04           C  
-ATOM  26260  CD  LYS P 179      92.723 243.026  96.854  1.00 34.41           C  
-ATOM  26261  CE  LYS P 179      92.188 244.127  97.797  1.00 36.82           C  
-ATOM  26262  NZ  LYS P 179      91.552 245.309  97.095  1.00 38.24           N  
-ATOM  26263  N   LYS P 180      89.331 240.773  96.892  1.00 23.61           N  
-ATOM  26264  CA  LYS P 180      88.216 241.392  96.207  1.00 22.56           C  
-ATOM  26265  C   LYS P 180      88.606 242.733  95.624  1.00 21.34           C  
-ATOM  26266  O   LYS P 180      89.215 243.542  96.304  1.00 20.68           O  
-ATOM  26267  CB  LYS P 180      87.054 241.596  97.175  1.00 23.30           C  
-ATOM  26268  CG  LYS P 180      86.241 240.316  97.449  1.00 25.15           C  
-ATOM  26269  CD  LYS P 180      85.051 240.561  98.357  1.00 27.07           C  
-ATOM  26270  CE  LYS P 180      84.032 241.482  97.690  1.00 30.31           C  
-ATOM  26271  NZ  LYS P 180      82.723 241.494  98.439  1.00 33.42           N  
-ATOM  26272  N   ASN P 181      88.262 242.962  94.357  1.00 19.83           N  
-ATOM  26273  CA  ASN P 181      88.402 244.286  93.743  1.00 19.86           C  
-ATOM  26274  C   ASN P 181      87.135 244.650  93.066  1.00 19.37           C  
-ATOM  26275  O   ASN P 181      86.344 243.794  92.739  1.00 20.62           O  
-ATOM  26276  CB  ASN P 181      89.501 244.349  92.685  1.00 18.70           C  
-ATOM  26277  CG  ASN P 181      90.796 243.889  93.183  1.00 18.75           C  
-ATOM  26278  OD1 ASN P 181      91.579 244.662  93.725  1.00 20.26           O  
-ATOM  26279  ND2 ASN P 181      91.059 242.620  93.012  1.00 17.50           N  
-ATOM  26280  N   SER P 182      86.963 245.938  92.843  1.00 19.54           N  
-ATOM  26281  CA  SER P 182      85.902 246.472  92.011  1.00 19.41           C  
-ATOM  26282  C   SER P 182      86.636 247.324  90.985  1.00 19.02           C  
-ATOM  26283  O   SER P 182      87.432 248.188  91.371  1.00 18.83           O  
-ATOM  26284  CB  SER P 182      85.026 247.366  92.875  1.00 19.61           C  
-ATOM  26285  OG  SER P 182      83.835 246.718  93.214  1.00 22.33           O  
-ATOM  26286  N   VAL P 183      86.411 247.064  89.702  1.00 17.97           N  
-ATOM  26287  CA  VAL P 183      87.143 247.740  88.628  1.00 18.27           C  
-ATOM  26288  C   VAL P 183      86.224 248.309  87.485  1.00 16.97           C  
-ATOM  26289  O   VAL P 183      85.225 247.705  87.068  1.00 16.41           O  
-ATOM  26290  CB  VAL P 183      88.254 246.811  87.998  1.00 18.73           C  
-ATOM  26291  CG1 VAL P 183      89.188 247.641  87.119  1.00 19.49           C  
-ATOM  26292  CG2 VAL P 183      89.123 246.146  89.086  1.00 21.17           C  
-ATOM  26293  N   THR P 184      86.624 249.443  86.961  1.00 14.97           N  
-ATOM  26294  CA  THR P 184      85.917 250.099  85.871  1.00 14.40           C  
-ATOM  26295  C   THR P 184      86.686 249.925  84.530  1.00 13.49           C  
-ATOM  26296  O   THR P 184      87.889 249.706  84.531  1.00 12.95           O  
-ATOM  26297  CB  THR P 184      85.761 251.598  86.266  1.00 14.84           C  
-ATOM  26298  OG1 THR P 184      84.662 251.739  87.209  1.00 13.21           O  
-ATOM  26299  CG2 THR P 184      85.314 252.412  85.081  1.00 15.78           C  
-ATOM  26300  N   TYR P 185      85.992 250.007  83.404  1.00 12.28           N  
-ATOM  26301  CA  TYR P 185      86.643 249.929  82.092  1.00 12.83           C  
-ATOM  26302  C   TYR P 185      86.103 250.985  81.222  1.00 12.08           C  
-ATOM  26303  O   TYR P 185      84.921 251.284  81.306  1.00 14.17           O  
-ATOM  26304  CB  TYR P 185      86.347 248.553  81.410  1.00 11.07           C  
-ATOM  26305  CG  TYR P 185      86.766 247.437  82.309  1.00 12.64           C  
-ATOM  26306  CD1 TYR P 185      85.916 246.973  83.308  1.00 11.41           C  
-ATOM  26307  CD2 TYR P 185      88.052 246.919  82.247  1.00 10.94           C  
-ATOM  26308  CE1 TYR P 185      86.313 245.977  84.152  1.00 13.35           C  
-ATOM  26309  CE2 TYR P 185      88.455 245.953  83.105  1.00 13.82           C  
-ATOM  26310  CZ  TYR P 185      87.572 245.465  84.056  1.00 15.76           C  
-ATOM  26311  OH  TYR P 185      87.965 244.449  84.921  1.00 19.09           O  
-ATOM  26312  N   SER P 186      86.931 251.496  80.331  1.00 12.66           N  
-ATOM  26313  CA  SER P 186      86.539 252.555  79.386  1.00 12.84           C  
-ATOM  26314  C   SER P 186      85.187 252.369  78.730  1.00 13.61           C  
-ATOM  26315  O   SER P 186      84.495 253.331  78.429  1.00 13.80           O  
-ATOM  26316  CB  SER P 186      87.543 252.644  78.254  1.00 12.35           C  
-ATOM  26317  OG  SER P 186      88.835 252.791  78.755  1.00 14.26           O  
-ATOM  26318  N   CYS P 187      84.802 251.137  78.474  1.00 13.23           N  
-ATOM  26319  CA  CYS P 187      83.607 250.902  77.677  1.00 14.19           C  
-ATOM  26320  C   CYS P 187      82.330 251.290  78.421  1.00 13.60           C  
-ATOM  26321  O   CYS P 187      81.237 251.508  77.835  1.00 12.87           O  
-ATOM  26322  CB  CYS P 187      83.558 249.406  77.322  1.00 14.92           C  
-ATOM  26323  SG  CYS P 187      83.550 248.399  78.792  1.00 18.95           S  
-ATOM  26324  N   CYS P 188      82.436 251.366  79.733  1.00 12.51           N  
-ATOM  26325  CA  CYS P 188      81.212 251.214  80.490  1.00 13.04           C  
-ATOM  26326  C   CYS P 188      81.208 252.052  81.748  1.00 11.14           C  
-ATOM  26327  O   CYS P 188      82.263 252.285  82.351  1.00 11.16           O  
-ATOM  26328  CB  CYS P 188      81.057 249.699  80.803  1.00 13.69           C  
-ATOM  26329  SG  CYS P 188      81.551 248.598  79.415  1.00 22.93           S  
-ATOM  26330  N   PRO P 189      80.042 252.517  82.162  1.00 10.43           N  
-ATOM  26331  CA  PRO P 189      79.994 253.475  83.291  1.00 10.76           C  
-ATOM  26332  C   PRO P 189      80.127 252.813  84.674  1.00 11.44           C  
-ATOM  26333  O   PRO P 189      80.507 253.477  85.622  1.00  9.95           O  
-ATOM  26334  CB  PRO P 189      78.636 254.174  83.112  1.00 10.84           C  
-ATOM  26335  CG  PRO P 189      77.743 253.144  82.365  1.00  9.18           C  
-ATOM  26336  CD  PRO P 189      78.707 252.234  81.591  1.00 10.09           C  
-ATOM  26337  N   GLU P 190      79.901 251.501  84.774  1.00 11.42           N  
-ATOM  26338  CA  GLU P 190      79.831 250.934  86.112  1.00 13.01           C  
-ATOM  26339  C   GLU P 190      80.989 250.023  86.461  1.00 13.74           C  
-ATOM  26340  O   GLU P 190      81.756 249.541  85.612  1.00 12.89           O  
-ATOM  26341  CB  GLU P 190      78.471 250.248  86.390  1.00 12.43           C  
-ATOM  26342  CG  GLU P 190      77.271 251.179  86.287  1.00 12.75           C  
-ATOM  26343  CD  GLU P 190      76.016 250.620  86.934  1.00 13.72           C  
-ATOM  26344  OE1 GLU P 190      76.083 250.225  88.117  1.00 14.07           O  
-ATOM  26345  OE2 GLU P 190      74.956 250.596  86.262  1.00 10.81           O  
-ATOM  26346  N   ALA P 191      81.074 249.781  87.751  1.00 16.60           N  
-ATOM  26347  CA  ALA P 191      82.123 248.949  88.294  1.00 16.18           C  
-ATOM  26348  C   ALA P 191      81.748 247.484  88.205  1.00 15.95           C  
-ATOM  26349  O   ALA P 191      80.581 247.120  88.438  1.00 15.16           O  
-ATOM  26350  CB  ALA P 191      82.398 249.330  89.725  1.00 16.49           C  
-ATOM  26351  N   TYR P 192      82.765 246.667  87.912  1.00 15.64           N  
-ATOM  26352  CA  TYR P 192      82.658 245.212  87.793  1.00 16.32           C  
-ATOM  26353  C   TYR P 192      83.496 244.562  88.900  1.00 17.00           C  
-ATOM  26354  O   TYR P 192      84.629 244.982  89.155  1.00 17.16           O  
-ATOM  26355  CB  TYR P 192      83.185 244.753  86.426  1.00 15.33           C  
-ATOM  26356  CG  TYR P 192      82.278 245.197  85.304  1.00 15.97           C  
-ATOM  26357  CD1 TYR P 192      82.388 246.490  84.748  1.00 15.91           C  
-ATOM  26358  CD2 TYR P 192      81.281 244.373  84.838  1.00 15.02           C  
-ATOM  26359  CE1 TYR P 192      81.562 246.902  83.760  1.00 16.16           C  
-ATOM  26360  CE2 TYR P 192      80.439 244.793  83.829  1.00 15.89           C  
-ATOM  26361  CZ  TYR P 192      80.586 246.066  83.316  1.00 16.33           C  
-ATOM  26362  OH  TYR P 192      79.766 246.495  82.326  1.00 17.79           O  
-ATOM  26363  N   GLU P 193      82.950 243.538  89.533  1.00 17.26           N  
-ATOM  26364  CA  GLU P 193      83.646 242.874  90.626  1.00 17.97           C  
-ATOM  26365  C   GLU P 193      84.522 241.724  90.136  1.00 18.76           C  
-ATOM  26366  O   GLU P 193      84.168 240.994  89.194  1.00 17.92           O  
-ATOM  26367  CB  GLU P 193      82.690 242.433  91.735  1.00 17.80           C  
-ATOM  26368  CG  GLU P 193      82.005 243.604  92.450  1.00 17.91           C  
-ATOM  26369  CD  GLU P 193      81.290 243.225  93.730  1.00 19.86           C  
-ATOM  26370  OE1 GLU P 193      81.427 242.099  94.199  1.00 20.32           O  
-ATOM  26371  OE2 GLU P 193      80.599 244.077  94.338  1.00 21.89           O  
-ATOM  26372  N   ASP P 194      85.679 241.592  90.771  1.00 19.01           N  
-ATOM  26373  CA  ASP P 194      86.546 240.490  90.508  1.00 20.29           C  
-ATOM  26374  C   ASP P 194      87.120 239.904  91.803  1.00 20.11           C  
-ATOM  26375  O   ASP P 194      87.173 240.592  92.844  1.00 19.48           O  
-ATOM  26376  CB  ASP P 194      87.631 240.868  89.502  1.00 20.74           C  
-ATOM  26377  CG  ASP P 194      88.682 241.805  90.075  1.00 24.76           C  
-ATOM  26378  OD1 ASP P 194      89.440 241.391  90.996  1.00 28.15           O  
-ATOM  26379  OD2 ASP P 194      88.849 242.982  89.664  1.00 29.14           O  
-ATOM  26380  N   VAL P 195      87.491 238.633  91.747  1.00 19.21           N  
-ATOM  26381  CA  VAL P 195      88.378 238.073  92.750  1.00 19.50           C  
-ATOM  26382  C   VAL P 195      89.756 237.838  92.135  1.00 19.07           C  
-ATOM  26383  O   VAL P 195      89.867 237.293  91.051  1.00 18.68           O  
-ATOM  26384  CB  VAL P 195      87.804 236.768  93.353  1.00 20.16           C  
-ATOM  26385  CG1 VAL P 195      88.801 236.154  94.375  1.00 21.04           C  
-ATOM  26386  CG2 VAL P 195      86.496 237.095  94.080  1.00 20.74           C  
-ATOM  26387  N   GLU P 196      90.794 238.265  92.840  1.00 18.71           N  
-ATOM  26388  CA  GLU P 196      92.172 238.019  92.449  1.00 19.28           C  
-ATOM  26389  C   GLU P 196      92.707 236.890  93.311  1.00 18.50           C  
-ATOM  26390  O   GLU P 196      92.706 236.986  94.539  1.00 18.76           O  
-ATOM  26391  CB  GLU P 196      93.036 239.301  92.600  1.00 19.08           C  
-ATOM  26392  CG  GLU P 196      93.069 240.151  91.316  1.00 23.21           C  
-ATOM  26393  CD  GLU P 196      93.704 241.566  91.470  1.00 28.07           C  
-ATOM  26394  OE1 GLU P 196      94.279 241.869  92.553  1.00 27.87           O  
-ATOM  26395  OE2 GLU P 196      93.610 242.380  90.489  1.00 28.45           O  
-ATOM  26396  N   VAL P 197      93.125 235.811  92.669  1.00 17.91           N  
-ATOM  26397  CA  VAL P 197      93.679 234.653  93.368  1.00 17.71           C  
-ATOM  26398  C   VAL P 197      95.196 234.633  93.146  1.00 17.44           C  
-ATOM  26399  O   VAL P 197      95.663 234.528  92.017  1.00 16.88           O  
-ATOM  26400  CB  VAL P 197      93.016 233.338  92.892  1.00 17.84           C  
-ATOM  26401  CG1 VAL P 197      93.627 232.089  93.598  1.00 17.38           C  
-ATOM  26402  CG2 VAL P 197      91.516 233.398  93.128  1.00 18.03           C  
-ATOM  26403  N   SER P 198      95.952 234.764  94.230  1.00 17.16           N  
-ATOM  26404  CA  SER P 198      97.404 234.790  94.171  1.00 17.46           C  
-ATOM  26405  C   SER P 198      97.978 233.424  94.579  1.00 17.59           C  
-ATOM  26406  O   SER P 198      97.889 233.007  95.739  1.00 17.04           O  
-ATOM  26407  CB  SER P 198      97.979 235.899  95.060  1.00 17.57           C  
-ATOM  26408  OG  SER P 198      97.516 237.173  94.626  1.00 19.61           O  
-ATOM  26409  N   LEU P 199      98.555 232.752  93.594  1.00 17.03           N  
-ATOM  26410  CA  LEU P 199      99.140 231.452  93.780  1.00 17.12           C  
-ATOM  26411  C   LEU P 199     100.637 231.602  93.992  1.00 16.58           C  
-ATOM  26412  O   LEU P 199     101.333 231.964  93.078  1.00 16.72           O  
-ATOM  26413  CB  LEU P 199      98.848 230.609  92.539  1.00 17.00           C  
-ATOM  26414  CG  LEU P 199      99.518 229.249  92.420  1.00 18.24           C  
-ATOM  26415  CD1 LEU P 199      99.035 228.289  93.500  1.00 18.37           C  
-ATOM  26416  CD2 LEU P 199      99.173 228.666  91.048  1.00 18.90           C  
-ATOM  26417  N   ASN P 200     101.112 231.354  95.204  1.00 15.88           N  
-ATOM  26418  CA  ASN P 200     102.535 231.434  95.525  1.00 15.85           C  
-ATOM  26419  C   ASN P 200     103.100 230.018  95.439  1.00 15.24           C  
-ATOM  26420  O   ASN P 200     102.660 229.149  96.178  1.00 14.94           O  
-ATOM  26421  CB  ASN P 200     102.721 232.028  96.937  1.00 15.83           C  
-ATOM  26422  CG  ASN P 200     104.193 232.233  97.336  1.00 17.13           C  
-ATOM  26423  OD1 ASN P 200     104.509 232.258  98.515  1.00 17.59           O  
-ATOM  26424  ND2 ASN P 200     105.074 232.421  96.358  1.00 18.31           N  
-ATOM  26425  N   PHE P 201     104.023 229.778  94.512  1.00 14.31           N  
-ATOM  26426  CA  PHE P 201     104.467 228.402  94.214  1.00 13.88           C  
-ATOM  26427  C   PHE P 201     105.929 228.368  93.784  1.00 13.16           C  
-ATOM  26428  O   PHE P 201     106.463 229.415  93.404  1.00 13.41           O  
-ATOM  26429  CB  PHE P 201     103.571 227.770  93.150  1.00 14.06           C  
-ATOM  26430  CG  PHE P 201     103.799 228.294  91.756  1.00 15.55           C  
-ATOM  26431  CD1 PHE P 201     103.336 229.558  91.386  1.00 15.64           C  
-ATOM  26432  CD2 PHE P 201     104.474 227.524  90.804  1.00 16.17           C  
-ATOM  26433  CE1 PHE P 201     103.540 230.040  90.110  1.00 16.57           C  
-ATOM  26434  CE2 PHE P 201     104.670 228.005  89.500  1.00 16.24           C  
-ATOM  26435  CZ  PHE P 201     104.218 229.261  89.156  1.00 16.45           C  
-ATOM  26436  N   ARG P 202     106.584 227.195  93.842  1.00 10.46           N  
-ATOM  26437  CA  ARG P 202     107.986 227.060  93.393  1.00  8.16           C  
-ATOM  26438  C   ARG P 202     108.283 225.646  92.918  1.00  7.80           C  
-ATOM  26439  O   ARG P 202     107.497 224.753  93.186  1.00  7.74           O  
-ATOM  26440  CB  ARG P 202     108.968 227.434  94.520  1.00  8.26           C  
-ATOM  26441  CG  ARG P 202     108.933 226.511  95.717  1.00  6.04           C  
-ATOM  26442  CD  ARG P 202     109.873 226.887  96.879  1.00  6.54           C  
-ATOM  26443  NE  ARG P 202     109.632 226.031  98.035  1.00  4.46           N  
-ATOM  26444  CZ  ARG P 202     110.032 226.273  99.299  1.00  9.40           C  
-ATOM  26445  NH1 ARG P 202     110.701 227.384  99.611  1.00  9.09           N  
-ATOM  26446  NH2 ARG P 202     109.773 225.376 100.271  1.00  6.91           N  
-ATOM  26447  N   LYS P 203     109.433 225.442  92.262  1.00  6.51           N  
-ATOM  26448  CA  LYS P 203     109.920 224.105  91.929  1.00  6.44           C  
-ATOM  26449  C   LYS P 203     110.339 223.338  93.176  1.00  6.19           C  
-ATOM  26450  O   LYS P 203     111.087 223.875  93.998  1.00  4.30           O  
-ATOM  26451  CB  LYS P 203     111.110 224.185  90.962  1.00  6.33           C  
-ATOM  26452  CG  LYS P 203     110.801 224.049  89.476  1.00  9.61           C  
-ATOM  26453  CD  LYS P 203     110.871 225.413  88.774  1.00 19.54           C  
-ATOM  26454  CE  LYS P 203     111.146 225.327  87.230  1.00 22.33           C  
-ATOM  26455  NZ  LYS P 203     112.589 225.580  86.875  1.00 25.35           N  
-ATOM  26456  N   LYS P 204     109.867 222.086  93.316  1.00  6.39           N  
-ATOM  26457  CA  LYS P 204     110.319 221.187  94.383  1.00  6.83           C  
-ATOM  26458  C   LYS P 204     111.811 221.119  94.392  1.00  7.70           C  
-ATOM  26459  O   LYS P 204     112.416 221.068  93.324  1.00  7.18           O  
-ATOM  26460  CB  LYS P 204     109.838 219.755  94.159  1.00  6.83           C  
-ATOM  26461  CG  LYS P 204     108.483 219.528  94.664  1.00 10.01           C  
-ATOM  26462  CD  LYS P 204     108.103 218.079  94.706  1.00  8.46           C  
-ATOM  26463  CE  LYS P 204     106.641 218.047  95.041  1.00  8.35           C  
-ATOM  26464  NZ  LYS P 204     105.896 217.057  94.236  1.00 11.88           N  
-ATOM  26465  N   GLY P 205     112.405 221.046  95.590  1.00  9.00           N  
-ATOM  26466  CA  GLY P 205     113.851 221.100  95.732  1.00 10.78           C  
-ATOM  26467  C   GLY P 205     114.565 219.940  95.046  1.00 12.22           C  
-ATOM  26468  O   GLY P 205     113.990 218.860  94.843  1.00 13.44           O  
-TER   26469      GLY P 205                                                      
-ATOM  26470  N   GLU Q   0      55.833 248.074  82.629  1.00 21.79           N  
-ATOM  26471  CA  GLU Q   0      56.898 247.423  83.466  1.00 23.30           C  
-ATOM  26472  C   GLU Q   0      57.209 245.945  83.107  1.00 22.80           C  
-ATOM  26473  O   GLU Q   0      56.342 245.086  83.224  1.00 23.27           O  
-ATOM  26474  CB  GLU Q   0      56.573 247.565  84.968  1.00 22.78           C  
-ATOM  26475  CG  GLU Q   0      57.268 246.544  85.859  1.00 24.90           C  
-ATOM  26476  CD  GLU Q   0      57.164 246.856  87.349  1.00 28.28           C  
-ATOM  26477  OE1 GLU Q   0      56.017 246.989  87.873  1.00 26.97           O  
-ATOM  26478  OE2 GLU Q   0      58.237 246.953  88.004  1.00 28.28           O  
-ATOM  26479  N   PHE Q   1      58.444 245.688  82.670  1.00 22.81           N  
-ATOM  26480  CA  PHE Q   1      58.967 244.365  82.314  1.00 22.47           C  
-ATOM  26481  C   PHE Q   1      60.045 243.991  83.308  1.00 21.92           C  
-ATOM  26482  O   PHE Q   1      60.768 244.856  83.794  1.00 22.11           O  
-ATOM  26483  CB  PHE Q   1      59.641 244.406  80.940  1.00 22.45           C  
-ATOM  26484  CG  PHE Q   1      58.791 244.988  79.863  1.00 24.55           C  
-ATOM  26485  CD1 PHE Q   1      57.710 244.270  79.337  1.00 26.16           C  
-ATOM  26486  CD2 PHE Q   1      59.057 246.272  79.371  1.00 25.83           C  
-ATOM  26487  CE1 PHE Q   1      56.902 244.826  78.332  1.00 28.00           C  
-ATOM  26488  CE2 PHE Q   1      58.254 246.848  78.365  1.00 26.78           C  
-ATOM  26489  CZ  PHE Q   1      57.173 246.122  77.841  1.00 28.23           C  
-ATOM  26490  N   ASP Q   2      60.197 242.708  83.596  1.00 21.01           N  
-ATOM  26491  CA  ASP Q   2      61.387 242.273  84.328  1.00 20.21           C  
-ATOM  26492  C   ASP Q   2      62.400 241.703  83.325  1.00 19.28           C  
-ATOM  26493  O   ASP Q   2      62.119 241.620  82.126  1.00 18.59           O  
-ATOM  26494  CB  ASP Q   2      61.018 241.287  85.470  1.00 20.80           C  
-ATOM  26495  CG  ASP Q   2      60.404 239.973  84.963  1.00 21.86           C  
-ATOM  26496  OD1 ASP Q   2      60.457 239.693  83.732  1.00 22.74           O  
-ATOM  26497  OD2 ASP Q   2      59.859 239.136  85.720  1.00 23.79           O  
-ATOM  26498  N   ARG Q   3      63.582 241.339  83.805  1.00 18.57           N  
-ATOM  26499  CA  ARG Q   3      64.637 240.824  82.918  1.00 17.83           C  
-ATOM  26500  C   ARG Q   3      64.159 239.625  82.135  1.00 17.10           C  
-ATOM  26501  O   ARG Q   3      64.437 239.517  80.936  1.00 17.26           O  
-ATOM  26502  CB  ARG Q   3      65.878 240.422  83.722  1.00 18.07           C  
-ATOM  26503  CG  ARG Q   3      66.875 241.520  83.906  1.00 18.61           C  
-ATOM  26504  CD  ARG Q   3      67.817 241.338  85.093  1.00 19.28           C  
-ATOM  26505  NE  ARG Q   3      68.649 242.529  85.250  1.00 22.08           N  
-ATOM  26506  CZ  ARG Q   3      68.454 243.472  86.171  1.00 25.92           C  
-ATOM  26507  NH1 ARG Q   3      67.479 243.337  87.080  1.00 27.36           N  
-ATOM  26508  NH2 ARG Q   3      69.262 244.542  86.213  1.00 26.14           N  
-ATOM  26509  N   ALA Q   4      63.433 238.728  82.799  1.00 16.24           N  
-ATOM  26510  CA  ALA Q   4      62.870 237.548  82.106  1.00 16.20           C  
-ATOM  26511  C   ALA Q   4      62.030 237.941  80.890  1.00 15.63           C  
-ATOM  26512  O   ALA Q   4      62.213 237.378  79.810  1.00 15.49           O  
-ATOM  26513  CB  ALA Q   4      62.058 236.668  83.081  1.00 15.53           C  
-ATOM  26514  N   ASP Q   5      61.148 238.922  81.067  1.00 15.61           N  
-ATOM  26515  CA  ASP Q   5      60.286 239.405  79.982  1.00 16.41           C  
-ATOM  26516  C   ASP Q   5      61.122 240.024  78.849  1.00 15.58           C  
-ATOM  26517  O   ASP Q   5      60.913 239.734  77.672  1.00 15.52           O  
-ATOM  26518  CB  ASP Q   5      59.274 240.437  80.488  1.00 16.99           C  
-ATOM  26519  CG  ASP Q   5      58.305 239.882  81.499  1.00 20.77           C  
-ATOM  26520  OD1 ASP Q   5      57.979 238.672  81.432  1.00 24.33           O  
-ATOM  26521  OD2 ASP Q   5      57.788 240.589  82.395  1.00 25.13           O  
-ATOM  26522  N   ILE Q   6      62.081 240.858  79.207  1.00 15.10           N  
-ATOM  26523  CA  ILE Q   6      62.915 241.505  78.184  1.00 14.65           C  
-ATOM  26524  C   ILE Q   6      63.629 240.450  77.341  1.00 14.64           C  
-ATOM  26525  O   ILE Q   6      63.648 240.530  76.119  1.00 13.50           O  
-ATOM  26526  CB  ILE Q   6      63.899 242.534  78.810  1.00 14.67           C  
-ATOM  26527  CG1 ILE Q   6      63.141 243.685  79.484  1.00 14.02           C  
-ATOM  26528  CG2 ILE Q   6      64.855 243.146  77.757  1.00 14.06           C  
-ATOM  26529  CD1 ILE Q   6      63.985 244.404  80.573  1.00 12.94           C  
-ATOM  26530  N   LEU Q   7      64.195 239.448  78.012  1.00 14.94           N  
-ATOM  26531  CA  LEU Q   7      64.995 238.438  77.339  1.00 15.73           C  
-ATOM  26532  C   LEU Q   7      64.126 237.485  76.509  1.00 15.80           C  
-ATOM  26533  O   LEU Q   7      64.506 237.114  75.397  1.00 14.94           O  
-ATOM  26534  CB  LEU Q   7      65.896 237.704  78.335  1.00 16.37           C  
-ATOM  26535  CG  LEU Q   7      67.085 238.575  78.792  1.00 17.64           C  
-ATOM  26536  CD1 LEU Q   7      67.523 238.229  80.175  1.00 19.12           C  
-ATOM  26537  CD2 LEU Q   7      68.251 238.383  77.805  1.00 19.13           C  
-ATOM  26538  N   TYR Q   8      62.953 237.133  77.038  1.00 15.91           N  
-ATOM  26539  CA  TYR Q   8      61.936 236.421  76.279  1.00 16.65           C  
-ATOM  26540  C   TYR Q   8      61.556 237.170  74.985  1.00 16.40           C  
-ATOM  26541  O   TYR Q   8      61.598 236.605  73.888  1.00 15.71           O  
-ATOM  26542  CB  TYR Q   8      60.701 236.183  77.163  1.00 17.45           C  
-ATOM  26543  CG  TYR Q   8      59.566 235.412  76.510  1.00 21.02           C  
-ATOM  26544  CD1 TYR Q   8      59.671 234.028  76.260  1.00 24.33           C  
-ATOM  26545  CD2 TYR Q   8      58.376 236.064  76.152  1.00 23.18           C  
-ATOM  26546  CE1 TYR Q   8      58.626 233.327  75.649  1.00 26.15           C  
-ATOM  26547  CE2 TYR Q   8      57.313 235.366  75.558  1.00 25.60           C  
-ATOM  26548  CZ  TYR Q   8      57.445 234.001  75.306  1.00 26.88           C  
-ATOM  26549  OH  TYR Q   8      56.407 233.318  74.717  1.00 28.29           O  
-ATOM  26550  N   ASN Q   9      61.181 238.437  75.111  1.00 16.18           N  
-ATOM  26551  CA  ASN Q   9      60.766 239.208  73.940  1.00 16.64           C  
-ATOM  26552  C   ASN Q   9      61.862 239.289  72.880  1.00 16.21           C  
-ATOM  26553  O   ASN Q   9      61.597 239.070  71.693  1.00 15.54           O  
-ATOM  26554  CB  ASN Q   9      60.237 240.599  74.336  1.00 16.60           C  
-ATOM  26555  CG  ASN Q   9      58.920 240.511  75.100  1.00 18.38           C  
-ATOM  26556  OD1 ASN Q   9      58.279 239.460  75.133  1.00 19.18           O  
-ATOM  26557  ND2 ASN Q   9      58.547 241.593  75.751  1.00 17.87           N  
-ATOM  26558  N   ILE Q  10      63.094 239.546  73.318  1.00 16.20           N  
-ATOM  26559  CA  ILE Q  10      64.258 239.531  72.417  1.00 16.25           C  
-ATOM  26560  C   ILE Q  10      64.474 238.171  71.762  1.00 17.04           C  
-ATOM  26561  O   ILE Q  10      64.686 238.090  70.554  1.00 16.37           O  
-ATOM  26562  CB  ILE Q  10      65.554 239.968  73.138  1.00 16.55           C  
-ATOM  26563  CG1 ILE Q  10      65.530 241.484  73.423  1.00 15.50           C  
-ATOM  26564  CG2 ILE Q  10      66.809 239.595  72.297  1.00 15.53           C  
-ATOM  26565  CD1 ILE Q  10      66.602 241.935  74.393  1.00 13.66           C  
-ATOM  26566  N   ARG Q  11      64.443 237.100  72.548  1.00 17.52           N  
-ATOM  26567  CA  ARG Q  11      64.686 235.794  71.963  1.00 20.21           C  
-ATOM  26568  C   ARG Q  11      63.606 235.463  70.937  1.00 19.85           C  
-ATOM  26569  O   ARG Q  11      63.921 234.993  69.863  1.00 21.40           O  
-ATOM  26570  CB  ARG Q  11      64.790 234.688  73.018  1.00 20.61           C  
-ATOM  26571  CG  ARG Q  11      65.429 233.439  72.402  1.00 27.60           C  
-ATOM  26572  CD  ARG Q  11      65.526 232.208  73.304  1.00 37.66           C  
-ATOM  26573  NE  ARG Q  11      66.710 231.369  73.002  1.00 45.63           N  
-ATOM  26574  CZ  ARG Q  11      66.888 230.608  71.893  1.00 48.47           C  
-ATOM  26575  NH1 ARG Q  11      65.969 230.569  70.924  1.00 48.15           N  
-ATOM  26576  NH2 ARG Q  11      68.003 229.879  71.752  1.00 49.27           N  
-ATOM  26577  N   GLN Q  12      62.343 235.742  71.258  1.00 20.01           N  
-ATOM  26578  CA  GLN Q  12      61.201 235.384  70.394  1.00 21.04           C  
-ATOM  26579  C   GLN Q  12      61.165 236.145  69.064  1.00 21.80           C  
-ATOM  26580  O   GLN Q  12      60.598 235.680  68.062  1.00 22.53           O  
-ATOM  26581  CB  GLN Q  12      59.885 235.651  71.148  1.00 20.38           C  
-ATOM  26582  CG  GLN Q  12      59.649 234.717  72.284  1.00 22.86           C  
-ATOM  26583  CD  GLN Q  12      59.585 233.287  71.811  1.00 27.96           C  
-ATOM  26584  OE1 GLN Q  12      58.589 232.876  71.195  1.00 29.41           O  
-ATOM  26585  NE2 GLN Q  12      60.658 232.533  72.042  1.00 29.58           N  
-ATOM  26586  N   THR Q  13      61.751 237.330  69.046  1.00 22.64           N  
-ATOM  26587  CA  THR Q  13      61.589 238.204  67.881  1.00 23.40           C  
-ATOM  26588  C   THR Q  13      62.926 238.499  67.255  1.00 25.08           C  
-ATOM  26589  O   THR Q  13      63.003 239.298  66.302  1.00 25.41           O  
-ATOM  26590  CB  THR Q  13      60.875 239.518  68.266  1.00 23.17           C  
-ATOM  26591  OG1 THR Q  13      61.590 240.181  69.327  1.00 20.88           O  
-ATOM  26592  CG2 THR Q  13      59.482 239.219  68.871  1.00 21.74           C  
-ATOM  26593  N   SER Q  14      63.975 237.873  67.818  1.00 26.20           N  
-ATOM  26594  CA  SER Q  14      65.335 237.966  67.271  1.00 26.26           C  
-ATOM  26595  C   SER Q  14      65.293 237.494  65.831  1.00 26.37           C  
-ATOM  26596  O   SER Q  14      64.838 236.349  65.531  1.00 26.97           O  
-ATOM  26597  CB  SER Q  14      66.318 237.063  68.030  1.00 27.33           C  
-ATOM  26598  OG  SER Q  14      65.953 235.678  67.983  1.00 23.26           O  
-ATOM  26599  N   ARG Q  15      65.707 238.401  64.955  1.00 24.23           N  
-ATOM  26600  CA  ARG Q  15      66.060 238.067  63.586  1.00 21.84           C  
-ATOM  26601  C   ARG Q  15      67.600 238.268  63.467  1.00 20.01           C  
-ATOM  26602  O   ARG Q  15      68.083 239.282  62.941  1.00 18.74           O  
-ATOM  26603  CB  ARG Q  15      65.282 238.965  62.619  1.00 22.08           C  
-ATOM  26604  CG  ARG Q  15      63.760 238.827  62.721  1.00 22.59           C  
-ATOM  26605  CD  ARG Q  15      63.227 237.437  62.254  1.00 25.55           C  
-ATOM  26606  NE  ARG Q  15      63.774 237.090  60.936  1.00 24.30           N  
-ATOM  26607  CZ  ARG Q  15      63.212 237.443  59.795  1.00 22.54           C  
-ATOM  26608  NH1 ARG Q  15      62.051 238.097  59.813  1.00 22.82           N  
-ATOM  26609  NH2 ARG Q  15      63.781 237.115  58.646  1.00 21.08           N  
-ATOM  26610  N   PRO Q  16      68.358 237.300  63.974  1.00 18.40           N  
-ATOM  26611  CA  PRO Q  16      69.822 237.397  63.976  1.00 17.47           C  
-ATOM  26612  C   PRO Q  16      70.451 237.330  62.576  1.00 16.40           C  
-ATOM  26613  O   PRO Q  16      71.619 237.630  62.450  1.00 15.68           O  
-ATOM  26614  CB  PRO Q  16      70.265 236.213  64.835  1.00 17.35           C  
-ATOM  26615  CG  PRO Q  16      69.101 235.217  64.799  1.00 19.50           C  
-ATOM  26616  CD  PRO Q  16      67.873 236.026  64.557  1.00 19.42           C  
-ATOM  26617  N   ASP Q  17      69.711 236.900  61.568  1.00 15.93           N  
-ATOM  26618  CA  ASP Q  17      70.226 236.917  60.204  1.00 17.05           C  
-ATOM  26619  C   ASP Q  17      69.879 238.228  59.492  1.00 16.82           C  
-ATOM  26620  O   ASP Q  17      70.271 238.425  58.364  1.00 17.07           O  
-ATOM  26621  CB  ASP Q  17      69.678 235.723  59.410  1.00 18.35           C  
-ATOM  26622  CG  ASP Q  17      70.029 234.340  60.059  1.00 23.39           C  
-ATOM  26623  OD1 ASP Q  17      71.009 234.228  60.855  1.00 28.23           O  
-ATOM  26624  OD2 ASP Q  17      69.367 233.304  59.833  1.00 28.94           O  
-ATOM  26625  N   VAL Q  18      69.151 239.126  60.151  1.00 17.32           N  
-ATOM  26626  CA  VAL Q  18      68.700 240.367  59.511  1.00 17.26           C  
-ATOM  26627  C   VAL Q  18      69.474 241.558  59.978  1.00 17.27           C  
-ATOM  26628  O   VAL Q  18      69.404 241.926  61.167  1.00 17.18           O  
-ATOM  26629  CB  VAL Q  18      67.194 240.577  59.727  1.00 17.49           C  
-ATOM  26630  CG1 VAL Q  18      66.699 241.879  59.076  1.00 17.32           C  
-ATOM  26631  CG2 VAL Q  18      66.429 239.359  59.185  1.00 16.17           C  
-ATOM  26632  N   ILE Q  19      70.254 242.150  59.075  1.00 17.48           N  
-ATOM  26633  CA  ILE Q  19      70.990 243.368  59.395  1.00 18.01           C  
-ATOM  26634  C   ILE Q  19      69.996 244.519  59.745  1.00 19.10           C  
-ATOM  26635  O   ILE Q  19      69.089 244.798  58.954  1.00 18.99           O  
-ATOM  26636  CB  ILE Q  19      71.925 243.755  58.233  1.00 17.99           C  
-ATOM  26637  CG1 ILE Q  19      72.716 245.036  58.550  1.00 17.30           C  
-ATOM  26638  CG2 ILE Q  19      71.160 243.866  56.902  1.00 16.64           C  
-ATOM  26639  CD1 ILE Q  19      73.790 245.384  57.497  1.00 16.30           C  
-ATOM  26640  N   PRO Q  20      70.163 245.178  60.908  1.00 20.11           N  
-ATOM  26641  CA  PRO Q  20      69.180 246.156  61.412  1.00 21.20           C  
-ATOM  26642  C   PRO Q  20      69.334 247.506  60.734  1.00 22.98           C  
-ATOM  26643  O   PRO Q  20      69.522 248.558  61.392  1.00 22.87           O  
-ATOM  26644  CB  PRO Q  20      69.527 246.280  62.893  1.00 20.66           C  
-ATOM  26645  CG  PRO Q  20      71.003 246.092  62.927  1.00 20.64           C  
-ATOM  26646  CD  PRO Q  20      71.285 245.023  61.851  1.00 20.40           C  
-ATOM  26647  N   THR Q  21      69.229 247.458  59.414  1.00 24.84           N  
-ATOM  26648  CA  THR Q  21      69.309 248.627  58.567  1.00 27.33           C  
-ATOM  26649  C   THR Q  21      68.069 249.487  58.799  1.00 28.90           C  
-ATOM  26650  O   THR Q  21      66.959 248.969  58.989  1.00 29.30           O  
-ATOM  26651  CB  THR Q  21      69.440 248.149  57.106  1.00 27.18           C  
-ATOM  26652  OG1 THR Q  21      70.792 248.368  56.651  1.00 28.55           O  
-ATOM  26653  CG2 THR Q  21      68.565 248.936  56.166  1.00 28.78           C  
-ATOM  26654  N   GLN Q  22      68.270 250.801  58.781  1.00 30.14           N  
-ATOM  26655  CA  GLN Q  22      67.178 251.751  58.952  1.00 31.30           C  
-ATOM  26656  C   GLN Q  22      67.285 252.875  57.906  1.00 31.58           C  
-ATOM  26657  O   GLN Q  22      68.362 253.435  57.716  1.00 31.20           O  
-ATOM  26658  CB  GLN Q  22      67.234 252.322  60.370  1.00 31.67           C  
-ATOM  26659  CG  GLN Q  22      67.943 253.680  60.480  1.00 33.27           C  
-ATOM  26660  CD  GLN Q  22      69.485 253.603  60.493  1.00 38.69           C  
-ATOM  26661  OE1 GLN Q  22      70.109 252.501  60.425  1.00 40.07           O  
-ATOM  26662  NE2 GLN Q  22      70.106 254.778  60.580  1.00 37.64           N  
-ATOM  26663  N   ARG Q  23      66.185 253.211  57.235  1.00 31.99           N  
-ATOM  26664  CA  ARG Q  23      66.193 254.325  56.275  1.00 32.84           C  
-ATOM  26665  C   ARG Q  23      67.277 254.214  55.182  1.00 32.66           C  
-ATOM  26666  O   ARG Q  23      67.879 255.220  54.799  1.00 33.03           O  
-ATOM  26667  CB  ARG Q  23      66.355 255.665  57.022  1.00 33.51           C  
-ATOM  26668  CG  ARG Q  23      65.046 256.359  57.389  1.00 34.75           C  
-ATOM  26669  CD  ARG Q  23      65.177 257.387  58.514  1.00 38.49           C  
-ATOM  26670  NE  ARG Q  23      65.205 256.809  59.868  1.00 39.69           N  
-ATOM  26671  CZ  ARG Q  23      64.249 256.981  60.796  1.00 40.72           C  
-ATOM  26672  NH1 ARG Q  23      63.152 257.693  60.533  1.00 39.47           N  
-ATOM  26673  NH2 ARG Q  23      64.381 256.423  61.995  1.00 41.23           N  
-ATOM  26674  N   ASP Q  24      67.513 252.999  54.679  1.00 32.64           N  
-ATOM  26675  CA  ASP Q  24      68.650 252.689  53.771  1.00 32.38           C  
-ATOM  26676  C   ASP Q  24      70.040 253.214  54.226  1.00 31.17           C  
-ATOM  26677  O   ASP Q  24      71.023 253.093  53.472  1.00 31.35           O  
-ATOM  26678  CB  ASP Q  24      68.385 253.080  52.289  1.00 33.03           C  
-ATOM  26679  CG  ASP Q  24      66.910 253.267  51.963  1.00 35.14           C  
-ATOM  26680  OD1 ASP Q  24      66.057 252.560  52.572  1.00 37.68           O  
-ATOM  26681  OD2 ASP Q  24      66.514 254.103  51.102  1.00 37.87           O  
-ATOM  26682  N   ARG Q  25      70.106 253.796  55.435  1.00 29.25           N  
-ATOM  26683  CA  ARG Q  25      71.368 254.164  56.089  1.00 27.04           C  
-ATOM  26684  C   ARG Q  25      72.088 252.891  56.468  1.00 24.95           C  
-ATOM  26685  O   ARG Q  25      71.449 251.939  56.975  1.00 24.93           O  
-ATOM  26686  CB  ARG Q  25      71.135 254.937  57.387  1.00 27.50           C  
-ATOM  26687  CG  ARG Q  25      70.873 256.427  57.276  1.00 29.41           C  
-ATOM  26688  CD  ARG Q  25      70.743 257.095  58.659  1.00 33.80           C  
-ATOM  26689  NE  ARG Q  25      71.289 258.454  58.695  1.00 37.93           N  
-ATOM  26690  CZ  ARG Q  25      72.590 258.764  58.828  1.00 38.64           C  
-ATOM  26691  NH1 ARG Q  25      73.524 257.820  58.940  1.00 34.81           N  
-ATOM  26692  NH2 ARG Q  25      72.959 260.044  58.843  1.00 39.02           N  
-ATOM  26693  N   PRO Q  26      73.407 252.876  56.260  1.00 22.64           N  
-ATOM  26694  CA  PRO Q  26      74.250 251.766  56.702  1.00 21.11           C  
-ATOM  26695  C   PRO Q  26      74.207 251.649  58.227  1.00 19.94           C  
-ATOM  26696  O   PRO Q  26      73.998 252.653  58.918  1.00 19.17           O  
-ATOM  26697  CB  PRO Q  26      75.661 252.177  56.227  1.00 21.18           C  
-ATOM  26698  CG  PRO Q  26      75.580 253.664  55.965  1.00 21.50           C  
-ATOM  26699  CD  PRO Q  26      74.182 253.935  55.591  1.00 22.38           C  
-ATOM  26700  N   VAL Q  27      74.367 250.430  58.742  1.00 18.50           N  
-ATOM  26701  CA  VAL Q  27      74.518 250.214  60.174  1.00 17.86           C  
-ATOM  26702  C   VAL Q  27      75.916 250.704  60.548  1.00 17.45           C  
-ATOM  26703  O   VAL Q  27      76.901 250.153  60.060  1.00 16.79           O  
-ATOM  26704  CB  VAL Q  27      74.360 248.712  60.534  1.00 17.81           C  
-ATOM  26705  CG1 VAL Q  27      74.674 248.459  61.999  1.00 17.58           C  
-ATOM  26706  CG2 VAL Q  27      72.956 248.285  60.217  1.00 17.86           C  
-ATOM  26707  N   ALA Q  28      75.985 251.749  61.379  1.00 16.79           N  
-ATOM  26708  CA  ALA Q  28      77.252 252.300  61.840  1.00 16.06           C  
-ATOM  26709  C   ALA Q  28      77.854 251.434  62.971  1.00 15.86           C  
-ATOM  26710  O   ALA Q  28      77.326 251.361  64.083  1.00 15.19           O  
-ATOM  26711  CB  ALA Q  28      77.038 253.768  62.308  1.00 15.74           C  
-ATOM  26712  N   VAL Q  29      78.962 250.777  62.673  1.00 15.54           N  
-ATOM  26713  CA  VAL Q  29      79.575 249.893  63.615  1.00 16.26           C  
-ATOM  26714  C   VAL Q  29      80.879 250.506  64.100  1.00 17.06           C  
-ATOM  26715  O   VAL Q  29      81.699 250.885  63.307  1.00 17.35           O  
-ATOM  26716  CB  VAL Q  29      79.842 248.469  62.987  1.00 16.35           C  
-ATOM  26717  CG1 VAL Q  29      80.563 247.592  63.949  1.00 14.84           C  
-ATOM  26718  CG2 VAL Q  29      78.513 247.830  62.548  1.00 15.60           C  
-ATOM  26719  N   SER Q  30      81.069 250.606  65.405  1.00 18.02           N  
-ATOM  26720  CA  SER Q  30      82.334 251.103  65.951  1.00 19.06           C  
-ATOM  26721  C   SER Q  30      83.154 249.912  66.419  1.00 19.61           C  
-ATOM  26722  O   SER Q  30      82.615 249.014  67.065  1.00 19.54           O  
-ATOM  26723  CB  SER Q  30      82.090 252.036  67.106  1.00 18.69           C  
-ATOM  26724  OG  SER Q  30      81.342 253.170  66.699  1.00 21.07           O  
-ATOM  26725  N   VAL Q  31      84.433 249.894  66.048  1.00 19.83           N  
-ATOM  26726  CA  VAL Q  31      85.359 248.852  66.474  1.00 21.00           C  
-ATOM  26727  C   VAL Q  31      86.611 249.482  67.062  1.00 20.97           C  
-ATOM  26728  O   VAL Q  31      87.118 250.488  66.569  1.00 21.48           O  
-ATOM  26729  CB  VAL Q  31      85.838 247.921  65.325  1.00 21.29           C  
-ATOM  26730  CG1 VAL Q  31      86.272 246.557  65.895  1.00 21.36           C  
-ATOM  26731  CG2 VAL Q  31      84.773 247.717  64.317  1.00 22.39           C  
-ATOM  26732  N   SER Q  32      87.093 248.875  68.115  1.00 21.32           N  
-ATOM  26733  CA  SER Q  32      88.297 249.303  68.778  1.00 22.48           C  
-ATOM  26734  C   SER Q  32      88.904 248.051  69.393  1.00 22.48           C  
-ATOM  26735  O   SER Q  32      88.190 247.252  69.989  1.00 22.55           O  
-ATOM  26736  CB  SER Q  32      87.909 250.294  69.854  1.00 22.57           C  
-ATOM  26737  OG  SER Q  32      88.967 250.474  70.742  1.00 27.24           O  
-ATOM  26738  N   LEU Q  33      90.204 247.856  69.206  1.00 22.35           N  
-ATOM  26739  CA  LEU Q  33      90.901 246.699  69.789  1.00 21.81           C  
-ATOM  26740  C   LEU Q  33      91.677 247.132  71.042  1.00 21.93           C  
-ATOM  26741  O   LEU Q  33      92.502 248.055  70.977  1.00 21.84           O  
-ATOM  26742  CB  LEU Q  33      91.864 246.055  68.780  1.00 21.20           C  
-ATOM  26743  CG  LEU Q  33      91.351 245.594  67.400  1.00 21.50           C  
-ATOM  26744  CD1 LEU Q  33      92.432 244.849  66.631  1.00 19.43           C  
-ATOM  26745  CD2 LEU Q  33      90.104 244.700  67.491  1.00 20.52           C  
-ATOM  26746  N   LYS Q  34      91.402 246.483  72.174  1.00 21.04           N  
-ATOM  26747  CA  LYS Q  34      92.159 246.758  73.382  1.00 20.49           C  
-ATOM  26748  C   LYS Q  34      93.116 245.593  73.569  1.00 19.92           C  
-ATOM  26749  O   LYS Q  34      92.709 244.470  73.896  1.00 19.31           O  
-ATOM  26750  CB  LYS Q  34      91.257 246.902  74.607  1.00 20.95           C  
-ATOM  26751  CG  LYS Q  34      89.991 247.700  74.398  1.00 23.13           C  
-ATOM  26752  CD  LYS Q  34      90.278 249.176  74.378  1.00 27.46           C  
-ATOM  26753  CE  LYS Q  34      89.043 249.971  73.901  1.00 30.19           C  
-ATOM  26754  NZ  LYS Q  34      89.317 251.443  73.818  1.00 33.69           N  
-ATOM  26755  N   PHE Q  35      94.392 245.867  73.359  1.00 18.67           N  
-ATOM  26756  CA  PHE Q  35      95.409 244.829  73.406  1.00 17.56           C  
-ATOM  26757  C   PHE Q  35      95.714 244.451  74.835  1.00 16.94           C  
-ATOM  26758  O   PHE Q  35      95.926 245.328  75.698  1.00 16.41           O  
-ATOM  26759  CB  PHE Q  35      96.652 245.295  72.620  1.00 17.40           C  
-ATOM  26760  CG  PHE Q  35      96.389 245.415  71.122  1.00 17.56           C  
-ATOM  26761  CD1 PHE Q  35      96.372 244.270  70.323  1.00 17.74           C  
-ATOM  26762  CD2 PHE Q  35      96.165 246.668  70.530  1.00 18.05           C  
-ATOM  26763  CE1 PHE Q  35      96.127 244.349  68.917  1.00 19.11           C  
-ATOM  26764  CE2 PHE Q  35      95.910 246.797  69.154  1.00 17.74           C  
-ATOM  26765  CZ  PHE Q  35      95.896 245.620  68.323  1.00 18.31           C  
-ATOM  26766  N   ILE Q  36      95.683 243.144  75.088  1.00 16.31           N  
-ATOM  26767  CA  ILE Q  36      95.898 242.601  76.416  1.00 16.04           C  
-ATOM  26768  C   ILE Q  36      97.274 241.939  76.488  1.00 16.61           C  
-ATOM  26769  O   ILE Q  36      97.980 242.080  77.488  1.00 15.80           O  
-ATOM  26770  CB  ILE Q  36      94.765 241.590  76.807  1.00 16.31           C  
-ATOM  26771  CG1 ILE Q  36      93.374 242.142  76.479  1.00 15.66           C  
-ATOM  26772  CG2 ILE Q  36      94.875 241.168  78.266  1.00 14.74           C  
-ATOM  26773  CD1 ILE Q  36      93.058 243.527  77.117  1.00 14.26           C  
-ATOM  26774  N   ASN Q  37      97.631 241.199  75.436  1.00 17.02           N  
-ATOM  26775  CA  ASN Q  37      98.898 240.474  75.410  1.00 18.10           C  
-ATOM  26776  C   ASN Q  37      99.421 240.232  74.010  1.00 18.58           C  
-ATOM  26777  O   ASN Q  37      98.663 240.224  73.043  1.00 18.86           O  
-ATOM  26778  CB  ASN Q  37      98.817 239.160  76.177  1.00 17.42           C  
-ATOM  26779  CG  ASN Q  37     100.007 238.981  77.139  1.00 20.12           C  
-ATOM  26780  OD1 ASN Q  37     101.210 239.179  76.759  1.00 19.30           O  
-ATOM  26781  ND2 ASN Q  37      99.696 238.622  78.383  1.00 16.41           N  
-ATOM  26782  N   ILE Q  38     100.731 240.100  73.915  1.00 19.06           N  
-ATOM  26783  CA  ILE Q  38     101.377 239.681  72.687  1.00 19.73           C  
-ATOM  26784  C   ILE Q  38     102.156 238.444  73.080  1.00 20.25           C  
-ATOM  26785  O   ILE Q  38     103.099 238.512  73.858  1.00 20.56           O  
-ATOM  26786  CB  ILE Q  38     102.293 240.784  72.101  1.00 19.69           C  
-ATOM  26787  CG1 ILE Q  38     101.469 242.022  71.705  1.00 19.57           C  
-ATOM  26788  CG2 ILE Q  38     103.019 240.232  70.894  1.00 19.43           C  
-ATOM  26789  CD1 ILE Q  38     102.240 243.321  71.707  1.00 19.81           C  
-ATOM  26790  N   LEU Q  39     101.715 237.300  72.584  1.00 21.03           N  
-ATOM  26791  CA  LEU Q  39     102.208 236.017  73.083  1.00 21.84           C  
-ATOM  26792  C   LEU Q  39     103.403 235.461  72.343  1.00 22.36           C  
-ATOM  26793  O   LEU Q  39     104.229 234.752  72.922  1.00 23.30           O  
-ATOM  26794  CB  LEU Q  39     101.082 235.001  73.046  1.00 21.57           C  
-ATOM  26795  CG  LEU Q  39      99.868 235.527  73.827  1.00 23.16           C  
-ATOM  26796  CD1 LEU Q  39      98.681 234.629  73.628  1.00 23.71           C  
-ATOM  26797  CD2 LEU Q  39     100.163 235.711  75.326  1.00 23.07           C  
-ATOM  26798  N   GLU Q  40     103.469 235.741  71.053  1.00 22.51           N  
-ATOM  26799  CA  GLU Q  40     104.536 235.204  70.234  1.00 23.14           C  
-ATOM  26800  C   GLU Q  40     104.709 236.124  69.048  1.00 22.17           C  
-ATOM  26801  O   GLU Q  40     103.741 236.644  68.505  1.00 22.49           O  
-ATOM  26802  CB  GLU Q  40     104.206 233.789  69.773  1.00 23.39           C  
-ATOM  26803  CG  GLU Q  40     105.320 233.124  68.973  1.00 27.05           C  
-ATOM  26804  CD  GLU Q  40     104.974 231.702  68.532  1.00 32.10           C  
-ATOM  26805  OE1 GLU Q  40     103.773 231.431  68.202  1.00 33.11           O  
-ATOM  26806  OE2 GLU Q  40     105.910 230.849  68.520  1.00 33.63           O  
-ATOM  26807  N   VAL Q  41     105.955 236.317  68.677  1.00 21.10           N  
-ATOM  26808  CA  VAL Q  41     106.319 237.164  67.571  1.00 20.72           C  
-ATOM  26809  C   VAL Q  41     107.414 236.415  66.810  1.00 20.34           C  
-ATOM  26810  O   VAL Q  41     108.293 235.793  67.420  1.00 19.68           O  
-ATOM  26811  CB  VAL Q  41     106.785 238.540  68.136  1.00 21.01           C  
-ATOM  26812  CG1 VAL Q  41     107.814 239.194  67.283  1.00 20.86           C  
-ATOM  26813  CG2 VAL Q  41     105.588 239.455  68.362  1.00 20.40           C  
-ATOM  26814  N   ASN Q  42     107.351 236.449  65.485  1.00 20.27           N  
-ATOM  26815  CA  ASN Q  42     108.364 235.813  64.656  1.00 20.42           C  
-ATOM  26816  C   ASN Q  42     108.805 236.777  63.585  1.00 20.77           C  
-ATOM  26817  O   ASN Q  42     108.054 237.066  62.639  1.00 20.40           O  
-ATOM  26818  CB  ASN Q  42     107.814 234.520  64.031  1.00 20.62           C  
-ATOM  26819  CG  ASN Q  42     108.921 233.616  63.427  1.00 20.79           C  
-ATOM  26820  OD1 ASN Q  42     109.855 234.088  62.787  1.00 21.19           O  
-ATOM  26821  ND2 ASN Q  42     108.778 232.314  63.614  1.00 19.40           N  
-ATOM  26822  N   GLU Q  43     110.032 237.274  63.721  1.00 21.26           N  
-ATOM  26823  CA  GLU Q  43     110.553 238.263  62.783  1.00 21.91           C  
-ATOM  26824  C   GLU Q  43     110.938 237.644  61.434  1.00 21.96           C  
-ATOM  26825  O   GLU Q  43     110.985 238.343  60.415  1.00 21.80           O  
-ATOM  26826  CB  GLU Q  43     111.720 239.041  63.400  1.00 22.41           C  
-ATOM  26827  CG  GLU Q  43     111.749 240.523  63.041  1.00 24.22           C  
-ATOM  26828  CD  GLU Q  43     112.976 241.271  63.601  1.00 27.34           C  
-ATOM  26829  OE1 GLU Q  43     113.404 240.991  64.763  1.00 28.53           O  
-ATOM  26830  OE2 GLU Q  43     113.513 242.152  62.873  1.00 27.30           O  
-ATOM  26831  N   ILE Q  44     111.186 236.336  61.421  1.00 21.89           N  
-ATOM  26832  CA  ILE Q  44     111.487 235.635  60.173  1.00 22.02           C  
-ATOM  26833  C   ILE Q  44     110.224 235.466  59.329  1.00 21.58           C  
-ATOM  26834  O   ILE Q  44     110.210 235.818  58.147  1.00 21.75           O  
-ATOM  26835  CB  ILE Q  44     112.161 234.255  60.430  1.00 22.34           C  
-ATOM  26836  CG1 ILE Q  44     113.445 234.393  61.268  1.00 22.98           C  
-ATOM  26837  CG2 ILE Q  44     112.439 233.527  59.109  1.00 22.50           C  
-ATOM  26838  CD1 ILE Q  44     114.515 235.344  60.724  1.00 24.17           C  
-ATOM  26839  N   THR Q  45     109.168 234.940  59.940  1.00 21.03           N  
-ATOM  26840  CA  THR Q  45     107.913 234.689  59.223  1.00 20.48           C  
-ATOM  26841  C   THR Q  45     106.963 235.876  59.133  1.00 20.02           C  
-ATOM  26842  O   THR Q  45     106.014 235.817  58.346  1.00 20.13           O  
-ATOM  26843  CB  THR Q  45     107.172 233.457  59.768  1.00 20.47           C  
-ATOM  26844  OG1 THR Q  45     106.691 233.718  61.083  1.00 20.79           O  
-ATOM  26845  CG2 THR Q  45     108.152 232.253  59.958  1.00 20.29           C  
-ATOM  26846  N   ASN Q  46     107.242 236.941  59.891  1.00 19.32           N  
-ATOM  26847  CA  ASN Q  46     106.358 238.099  60.013  1.00 18.80           C  
-ATOM  26848  C   ASN Q  46     104.970 237.708  60.539  1.00 18.61           C  
-ATOM  26849  O   ASN Q  46     103.946 238.001  59.930  1.00 18.21           O  
-ATOM  26850  CB  ASN Q  46     106.248 238.846  58.680  1.00 18.43           C  
-ATOM  26851  CG  ASN Q  46     107.260 239.962  58.537  1.00 18.28           C  
-ATOM  26852  OD1 ASN Q  46     107.631 240.633  59.496  1.00 17.53           O  
-ATOM  26853  ND2 ASN Q  46     107.680 240.192  57.312  1.00 15.58           N  
-ATOM  26854  N   GLU Q  47     104.958 237.008  61.662  1.00 18.84           N  
-ATOM  26855  CA  GLU Q  47     103.727 236.516  62.258  1.00 19.53           C  
-ATOM  26856  C   GLU Q  47     103.679 236.912  63.726  1.00 19.62           C  
-ATOM  26857  O   GLU Q  47     104.696 236.879  64.426  1.00 19.24           O  
-ATOM  26858  CB  GLU Q  47     103.596 234.988  62.093  1.00 19.44           C  
-ATOM  26859  CG  GLU Q  47     103.368 234.565  60.634  1.00 21.69           C  
-ATOM  26860  CD  GLU Q  47     103.384 233.062  60.392  1.00 25.77           C  
-ATOM  26861  OE1 GLU Q  47     103.074 232.305  61.334  1.00 28.07           O  
-ATOM  26862  OE2 GLU Q  47     103.705 232.643  59.255  1.00 27.83           O  
-ATOM  26863  N   VAL Q  48     102.494 237.288  64.184  1.00 19.53           N  
-ATOM  26864  CA  VAL Q  48     102.279 237.595  65.604  1.00 20.33           C  
-ATOM  26865  C   VAL Q  48     101.015 236.905  66.162  1.00 20.30           C  
-ATOM  26866  O   VAL Q  48      99.978 236.798  65.484  1.00 19.56           O  
-ATOM  26867  CB  VAL Q  48     102.188 239.144  65.881  1.00 20.09           C  
-ATOM  26868  CG1 VAL Q  48     103.416 239.880  65.370  1.00 20.63           C  
-ATOM  26869  CG2 VAL Q  48     100.984 239.698  65.242  1.00 20.90           C  
-ATOM  26870  N   ASP Q  49     101.113 236.502  67.419  1.00 20.63           N  
-ATOM  26871  CA  ASP Q  49     100.019 235.871  68.148  1.00 21.36           C  
-ATOM  26872  C   ASP Q  49      99.604 236.872  69.249  1.00 21.02           C  
-ATOM  26873  O   ASP Q  49     100.434 237.282  70.059  1.00 20.59           O  
-ATOM  26874  CB  ASP Q  49     100.567 234.563  68.732  1.00 22.20           C  
-ATOM  26875  CG  ASP Q  49      99.485 233.572  69.139  1.00 24.99           C  
-ATOM  26876  OD1 ASP Q  49      98.265 233.881  69.131  1.00 28.65           O  
-ATOM  26877  OD2 ASP Q  49      99.792 232.424  69.507  1.00 28.88           O  
-ATOM  26878  N   VAL Q  50      98.342 237.293  69.253  1.00 20.57           N  
-ATOM  26879  CA  VAL Q  50      97.907 238.407  70.089  1.00 20.48           C  
-ATOM  26880  C   VAL Q  50      96.585 238.104  70.813  1.00 19.58           C  
-ATOM  26881  O   VAL Q  50      95.735 237.395  70.302  1.00 18.69           O  
-ATOM  26882  CB  VAL Q  50      97.691 239.726  69.226  1.00 21.00           C  
-ATOM  26883  CG1 VAL Q  50      97.267 240.880  70.108  1.00 22.68           C  
-ATOM  26884  CG2 VAL Q  50      98.954 240.133  68.512  1.00 22.46           C  
-ATOM  26885  N   VAL Q  51      96.394 238.738  71.970  1.00 18.70           N  
-ATOM  26886  CA  VAL Q  51      95.107 238.709  72.641  1.00 17.39           C  
-ATOM  26887  C   VAL Q  51      94.591 240.126  72.779  1.00 17.34           C  
-ATOM  26888  O   VAL Q  51      95.299 240.990  73.325  1.00 17.28           O  
-ATOM  26889  CB  VAL Q  51      95.210 238.057  74.041  1.00 17.93           C  
-ATOM  26890  CG1 VAL Q  51      93.845 238.084  74.748  1.00 17.11           C  
-ATOM  26891  CG2 VAL Q  51      95.764 236.646  73.943  1.00 17.07           C  
-ATOM  26892  N   PHE Q  52      93.377 240.382  72.283  1.00 15.58           N  
-ATOM  26893  CA  PHE Q  52      92.756 241.677  72.440  1.00 15.15           C  
-ATOM  26894  C   PHE Q  52      91.269 241.560  72.838  1.00 15.07           C  
-ATOM  26895  O   PHE Q  52      90.612 240.579  72.543  1.00 15.82           O  
-ATOM  26896  CB  PHE Q  52      92.878 242.457  71.106  1.00 14.69           C  
-ATOM  26897  CG  PHE Q  52      92.518 241.614  69.883  1.00 14.77           C  
-ATOM  26898  CD1 PHE Q  52      93.412 240.654  69.375  1.00 17.68           C  
-ATOM  26899  CD2 PHE Q  52      91.281 241.709  69.318  1.00 11.93           C  
-ATOM  26900  CE1 PHE Q  52      93.085 239.885  68.264  1.00 17.39           C  
-ATOM  26901  CE2 PHE Q  52      90.932 240.963  68.219  1.00 15.26           C  
-ATOM  26902  CZ  PHE Q  52      91.837 240.012  67.687  1.00 15.44           C  
-ATOM  26903  N   TRP Q  53      90.737 242.589  73.469  1.00 16.23           N  
-ATOM  26904  CA  TRP Q  53      89.298 242.786  73.560  1.00 17.19           C  
-ATOM  26905  C   TRP Q  53      88.810 243.541  72.326  1.00 18.07           C  
-ATOM  26906  O   TRP Q  53      89.243 244.660  72.081  1.00 18.39           O  
-ATOM  26907  CB  TRP Q  53      88.939 243.557  74.818  1.00 16.56           C  
-ATOM  26908  CG  TRP Q  53      89.419 242.873  76.057  1.00 16.64           C  
-ATOM  26909  CD1 TRP Q  53      89.850 241.577  76.179  1.00 16.63           C  
-ATOM  26910  CD2 TRP Q  53      89.517 243.452  77.353  1.00 16.40           C  
-ATOM  26911  NE1 TRP Q  53      90.224 241.327  77.477  1.00 17.23           N  
-ATOM  26912  CE2 TRP Q  53      90.018 242.464  78.219  1.00 17.07           C  
-ATOM  26913  CE3 TRP Q  53      89.239 244.734  77.877  1.00 18.21           C  
-ATOM  26914  CZ2 TRP Q  53      90.238 242.714  79.588  1.00 18.98           C  
-ATOM  26915  CZ3 TRP Q  53      89.458 244.972  79.210  1.00 18.93           C  
-ATOM  26916  CH2 TRP Q  53      89.949 243.980  80.051  1.00 18.98           C  
-ATOM  26917  N   GLN Q  54      87.929 242.916  71.550  1.00 18.77           N  
-ATOM  26918  CA  GLN Q  54      87.357 243.540  70.366  1.00 19.96           C  
-ATOM  26919  C   GLN Q  54      86.058 244.285  70.714  1.00 19.81           C  
-ATOM  26920  O   GLN Q  54      84.953 243.723  70.645  1.00 19.36           O  
-ATOM  26921  CB  GLN Q  54      87.127 242.518  69.264  1.00 19.88           C  
-ATOM  26922  CG  GLN Q  54      86.760 243.147  67.903  1.00 23.45           C  
-ATOM  26923  CD  GLN Q  54      86.792 242.084  66.779  1.00 27.91           C  
-ATOM  26924  OE1 GLN Q  54      87.834 241.474  66.491  1.00 29.28           O  
-ATOM  26925  NE2 GLN Q  54      85.660 241.862  66.178  1.00 29.51           N  
-ATOM  26926  N   GLN Q  55      86.212 245.544  71.118  1.00 19.39           N  
-ATOM  26927  CA  GLN Q  55      85.077 246.337  71.543  1.00 19.81           C  
-ATOM  26928  C   GLN Q  55      84.247 246.732  70.334  1.00 19.88           C  
-ATOM  26929  O   GLN Q  55      84.694 247.538  69.515  1.00 19.77           O  
-ATOM  26930  CB  GLN Q  55      85.522 247.578  72.311  1.00 19.80           C  
-ATOM  26931  CG  GLN Q  55      84.374 248.501  72.702  1.00 22.02           C  
-ATOM  26932  CD  GLN Q  55      84.831 249.747  73.522  1.00 26.64           C  
-ATOM  26933  OE1 GLN Q  55      85.945 249.785  74.049  1.00 28.30           O  
-ATOM  26934  NE2 GLN Q  55      83.958 250.744  73.626  1.00 26.62           N  
-ATOM  26935  N   THR Q  56      83.040 246.178  70.253  1.00 19.49           N  
-ATOM  26936  CA  THR Q  56      82.167 246.355  69.095  1.00 20.13           C  
-ATOM  26937  C   THR Q  56      80.823 246.899  69.471  1.00 19.84           C  
-ATOM  26938  O   THR Q  56      80.163 246.383  70.363  1.00 19.69           O  
-ATOM  26939  CB  THR Q  56      81.980 245.050  68.345  1.00 20.23           C  
-ATOM  26940  OG1 THR Q  56      83.238 244.377  68.320  1.00 22.25           O  
-ATOM  26941  CG2 THR Q  56      81.699 245.339  66.876  1.00 20.03           C  
-ATOM  26942  N   THR Q  57      80.396 247.901  68.733  1.00 19.09           N  
-ATOM  26943  CA  THR Q  57      79.276 248.714  69.155  1.00 19.66           C  
-ATOM  26944  C   THR Q  57      78.424 249.068  67.933  1.00 18.79           C  
-ATOM  26945  O   THR Q  57      78.960 249.391  66.873  1.00 18.40           O  
-ATOM  26946  CB  THR Q  57      79.863 249.953  69.866  1.00 20.28           C  
-ATOM  26947  OG1 THR Q  57      79.678 249.816  71.289  1.00 22.74           O  
-ATOM  26948  CG2 THR Q  57      79.192 251.214  69.481  1.00 21.30           C  
-ATOM  26949  N   TRP Q  58      77.108 248.964  68.075  1.00 17.64           N  
-ATOM  26950  CA  TRP Q  58      76.157 249.321  67.022  1.00 17.60           C  
-ATOM  26951  C   TRP Q  58      74.785 249.405  67.634  1.00 17.62           C  
-ATOM  26952  O   TRP Q  58      74.535 248.960  68.793  1.00 17.95           O  
-ATOM  26953  CB  TRP Q  58      76.152 248.294  65.862  1.00 16.38           C  
-ATOM  26954  CG  TRP Q  58      75.557 246.942  66.270  1.00 16.94           C  
-ATOM  26955  CD1 TRP Q  58      74.269 246.527  66.099  1.00 16.54           C  
-ATOM  26956  CD2 TRP Q  58      76.237 245.863  66.930  1.00 15.31           C  
-ATOM  26957  NE1 TRP Q  58      74.104 245.261  66.602  1.00 15.97           N  
-ATOM  26958  CE2 TRP Q  58      75.297 244.832  67.120  1.00 14.45           C  
-ATOM  26959  CE3 TRP Q  58      77.562 245.664  67.382  1.00 14.23           C  
-ATOM  26960  CZ2 TRP Q  58      75.622 243.629  67.740  1.00 14.45           C  
-ATOM  26961  CZ3 TRP Q  58      77.888 244.464  67.994  1.00 14.41           C  
-ATOM  26962  CH2 TRP Q  58      76.927 243.463  68.165  1.00 15.59           C  
-ATOM  26963  N   SER Q  59      73.874 249.885  66.828  1.00 17.64           N  
-ATOM  26964  CA  SER Q  59      72.510 250.098  67.248  1.00 19.26           C  
-ATOM  26965  C   SER Q  59      71.558 249.161  66.487  1.00 19.09           C  
-ATOM  26966  O   SER Q  59      71.676 248.980  65.262  1.00 18.70           O  
-ATOM  26967  CB  SER Q  59      72.140 251.557  66.988  1.00 19.25           C  
-ATOM  26968  OG  SER Q  59      70.780 251.600  66.715  1.00 22.53           O  
-ATOM  26969  N   ASP Q  60      70.616 248.575  67.215  1.00 19.36           N  
-ATOM  26970  CA  ASP Q  60      69.592 247.740  66.599  1.00 19.99           C  
-ATOM  26971  C   ASP Q  60      68.276 248.058  67.254  1.00 19.86           C  
-ATOM  26972  O   ASP Q  60      67.956 247.523  68.316  1.00 19.23           O  
-ATOM  26973  CB  ASP Q  60      69.927 246.233  66.762  1.00 20.08           C  
-ATOM  26974  CG  ASP Q  60      68.916 245.311  66.038  1.00 22.14           C  
-ATOM  26975  OD1 ASP Q  60      67.771 245.731  65.712  1.00 22.05           O  
-ATOM  26976  OD2 ASP Q  60      69.199 244.130  65.749  1.00 24.31           O  
-ATOM  26977  N   ARG Q  61      67.528 248.941  66.607  1.00 20.70           N  
-ATOM  26978  CA  ARG Q  61      66.282 249.443  67.161  1.00 21.04           C  
-ATOM  26979  C   ARG Q  61      65.114 248.441  67.252  1.00 20.66           C  
-ATOM  26980  O   ARG Q  61      64.174 248.665  67.995  1.00 19.88           O  
-ATOM  26981  CB  ARG Q  61      65.925 250.766  66.487  1.00 21.85           C  
-ATOM  26982  CG  ARG Q  61      66.988 251.853  66.837  1.00 24.64           C  
-ATOM  26983  CD  ARG Q  61      66.694 253.270  66.344  1.00 30.38           C  
-ATOM  26984  NE  ARG Q  61      67.721 254.268  66.730  1.00 34.81           N  
-ATOM  26985  CZ  ARG Q  61      67.919 254.773  67.970  1.00 35.81           C  
-ATOM  26986  NH1 ARG Q  61      67.176 254.386  69.024  1.00 31.14           N  
-ATOM  26987  NH2 ARG Q  61      68.884 255.681  68.155  1.00 34.56           N  
-ATOM  26988  N   THR Q  62      65.218 247.289  66.583  1.00 20.86           N  
-ATOM  26989  CA  THR Q  62      64.265 246.198  66.836  1.00 21.25           C  
-ATOM  26990  C   THR Q  62      64.431 245.582  68.235  1.00 20.85           C  
-ATOM  26991  O   THR Q  62      63.567 244.835  68.696  1.00 21.07           O  
-ATOM  26992  CB  THR Q  62      64.340 245.106  65.754  1.00 21.55           C  
-ATOM  26993  OG1 THR Q  62      65.603 244.438  65.831  1.00 23.12           O  
-ATOM  26994  CG2 THR Q  62      64.332 245.729  64.324  1.00 22.26           C  
-ATOM  26995  N   LEU Q  63      65.513 245.914  68.933  1.00 20.03           N  
-ATOM  26996  CA  LEU Q  63      65.734 245.331  70.257  1.00 19.87           C  
-ATOM  26997  C   LEU Q  63      65.124 246.218  71.338  1.00 19.84           C  
-ATOM  26998  O   LEU Q  63      64.932 245.781  72.481  1.00 20.28           O  
-ATOM  26999  CB  LEU Q  63      67.218 245.129  70.529  1.00 19.19           C  
-ATOM  27000  CG  LEU Q  63      67.983 244.212  69.578  1.00 20.51           C  
-ATOM  27001  CD1 LEU Q  63      69.438 244.249  69.976  1.00 18.93           C  
-ATOM  27002  CD2 LEU Q  63      67.399 242.723  69.570  1.00 19.51           C  
-ATOM  27003  N   ALA Q  64      64.811 247.455  70.974  1.00 19.03           N  
-ATOM  27004  CA  ALA Q  64      64.430 248.473  71.947  1.00 19.03           C  
-ATOM  27005  C   ALA Q  64      63.164 248.127  72.725  1.00 18.90           C  
-ATOM  27006  O   ALA Q  64      62.232 247.541  72.177  1.00 19.09           O  
-ATOM  27007  CB  ALA Q  64      64.253 249.831  71.245  1.00 18.79           C  
-ATOM  27008  N   TRP Q  65      63.143 248.493  73.998  1.00 18.74           N  
-ATOM  27009  CA  TRP Q  65      61.948 248.360  74.827  1.00 18.65           C  
-ATOM  27010  C   TRP Q  65      61.796 249.586  75.702  1.00 19.24           C  
-ATOM  27011  O   TRP Q  65      62.772 250.277  75.965  1.00 18.80           O  
-ATOM  27012  CB  TRP Q  65      61.998 247.088  75.706  1.00 18.11           C  
-ATOM  27013  CG  TRP Q  65      63.051 247.122  76.799  1.00 16.52           C  
-ATOM  27014  CD1 TRP Q  65      62.888 247.569  78.075  1.00 15.06           C  
-ATOM  27015  CD2 TRP Q  65      64.425 246.709  76.693  1.00 14.12           C  
-ATOM  27016  NE1 TRP Q  65      64.059 247.446  78.772  1.00 13.58           N  
-ATOM  27017  CE2 TRP Q  65      65.027 246.937  77.942  1.00 12.87           C  
-ATOM  27018  CE3 TRP Q  65      65.214 246.200  75.655  1.00 13.06           C  
-ATOM  27019  CZ2 TRP Q  65      66.382 246.642  78.198  1.00 11.88           C  
-ATOM  27020  CZ3 TRP Q  65      66.569 245.902  75.908  1.00 12.77           C  
-ATOM  27021  CH2 TRP Q  65      67.133 246.129  77.163  1.00 12.32           C  
-ATOM  27022  N   ASN Q  66      60.562 249.832  76.144  1.00 19.94           N  
-ATOM  27023  CA  ASN Q  66      60.256 250.925  77.045  1.00 21.01           C  
-ATOM  27024  C   ASN Q  66      60.773 250.633  78.438  1.00 21.09           C  
-ATOM  27025  O   ASN Q  66      60.363 249.665  79.073  1.00 21.49           O  
-ATOM  27026  CB  ASN Q  66      58.741 251.191  77.072  1.00 21.39           C  
-ATOM  27027  CG  ASN Q  66      58.394 252.477  77.783  1.00 23.04           C  
-ATOM  27028  OD1 ASN Q  66      59.135 252.918  78.676  1.00 23.51           O  
-ATOM  27029  ND2 ASN Q  66      57.254 253.096  77.405  1.00 25.32           N  
-ATOM  27030  N   SER Q  67      61.627 251.529  78.916  1.00 22.24           N  
-ATOM  27031  CA  SER Q  67      62.494 251.285  80.061  1.00 23.14           C  
-ATOM  27032  C   SER Q  67      62.146 252.107  81.307  1.00 23.99           C  
-ATOM  27033  O   SER Q  67      62.730 251.878  82.391  1.00 23.17           O  
-ATOM  27034  CB  SER Q  67      63.938 251.586  79.642  1.00 23.72           C  
-ATOM  27035  OG  SER Q  67      64.819 251.663  80.761  1.00 25.82           O  
-ATOM  27036  N   SER Q  68      61.197 253.048  81.161  1.00 24.40           N  
-ATOM  27037  CA  SER Q  68      60.792 253.939  82.262  1.00 25.35           C  
-ATOM  27038  C   SER Q  68      60.506 253.260  83.614  1.00 25.17           C  
-ATOM  27039  O   SER Q  68      60.665 253.902  84.655  1.00 25.48           O  
-ATOM  27040  CB  SER Q  68      59.607 254.856  81.879  1.00 25.21           C  
-ATOM  27041  OG  SER Q  68      59.079 254.554  80.595  1.00 26.13           O  
-ATOM  27042  N   HIS Q  69      60.087 251.987  83.590  1.00 24.69           N  
-ATOM  27043  CA  HIS Q  69      59.797 251.224  84.813  1.00 24.44           C  
-ATOM  27044  C   HIS Q  69      60.392 249.793  84.771  1.00 24.21           C  
-ATOM  27045  O   HIS Q  69      59.890 248.858  85.405  1.00 23.98           O  
-ATOM  27046  CB  HIS Q  69      58.288 251.196  85.041  1.00 25.04           C  
-ATOM  27047  CG  HIS Q  69      57.649 252.560  85.036  1.00 26.47           C  
-ATOM  27048  ND1 HIS Q  69      57.709 253.416  86.119  1.00 27.34           N  
-ATOM  27049  CD2 HIS Q  69      56.946 253.216  84.078  1.00 27.14           C  
-ATOM  27050  CE1 HIS Q  69      57.065 254.536  85.832  1.00 27.62           C  
-ATOM  27051  NE2 HIS Q  69      56.594 254.442  84.600  1.00 28.57           N  
-ATOM  27052  N   SER Q  70      61.479 249.640  84.027  1.00 22.45           N  
-ATOM  27053  CA  SER Q  70      62.081 248.338  83.802  1.00 22.16           C  
-ATOM  27054  C   SER Q  70      63.598 248.490  83.813  1.00 21.88           C  
-ATOM  27055  O   SER Q  70      64.102 249.602  83.668  1.00 21.85           O  
-ATOM  27056  CB  SER Q  70      61.651 247.785  82.441  1.00 21.89           C  
-ATOM  27057  OG  SER Q  70      60.248 247.612  82.365  1.00 22.45           O  
-ATOM  27058  N   PRO Q  71      64.328 247.399  84.010  1.00 21.60           N  
-ATOM  27059  CA  PRO Q  71      65.787 247.408  83.795  1.00 21.24           C  
-ATOM  27060  C   PRO Q  71      66.094 247.964  82.422  1.00 20.97           C  
-ATOM  27061  O   PRO Q  71      65.354 247.712  81.458  1.00 20.67           O  
-ATOM  27062  CB  PRO Q  71      66.164 245.934  83.857  1.00 21.11           C  
-ATOM  27063  CG  PRO Q  71      65.087 245.305  84.735  1.00 21.44           C  
-ATOM  27064  CD  PRO Q  71      63.837 246.097  84.512  1.00 21.55           C  
-ATOM  27065  N   ASP Q  72      67.151 248.753  82.317  1.00 20.73           N  
-ATOM  27066  CA  ASP Q  72      67.420 249.384  81.039  1.00 21.44           C  
-ATOM  27067  C   ASP Q  72      68.575 248.750  80.260  1.00 20.17           C  
-ATOM  27068  O   ASP Q  72      68.901 249.213  79.169  1.00 20.33           O  
-ATOM  27069  CB  ASP Q  72      67.590 250.903  81.203  1.00 22.79           C  
-ATOM  27070  CG  ASP Q  72      68.949 251.265  81.675  1.00 26.47           C  
-ATOM  27071  OD1 ASP Q  72      69.415 250.606  82.644  1.00 30.21           O  
-ATOM  27072  OD2 ASP Q  72      69.619 252.172  81.122  1.00 31.81           O  
-ATOM  27073  N   GLN Q  73      69.161 247.685  80.804  1.00 18.63           N  
-ATOM  27074  CA  GLN Q  73      70.188 246.915  80.114  1.00 17.85           C  
-ATOM  27075  C   GLN Q  73      70.061 245.456  80.480  1.00 16.34           C  
-ATOM  27076  O   GLN Q  73      69.697 245.150  81.612  1.00 15.60           O  
-ATOM  27077  CB  GLN Q  73      71.578 247.350  80.565  1.00 17.84           C  
-ATOM  27078  CG  GLN Q  73      72.051 248.617  79.991  1.00 20.77           C  
-ATOM  27079  CD  GLN Q  73      73.537 248.851  80.197  1.00 22.62           C  
-ATOM  27080  OE1 GLN Q  73      74.349 247.924  80.126  1.00 24.00           O  
-ATOM  27081  NE2 GLN Q  73      73.894 250.090  80.424  1.00 20.13           N  
-ATOM  27082  N   VAL Q  74      70.423 244.583  79.543  1.00 14.94           N  
-ATOM  27083  CA  VAL Q  74      70.503 243.128  79.811  1.00 14.60           C  
-ATOM  27084  C   VAL Q  74      71.679 242.535  79.086  1.00 14.74           C  
-ATOM  27085  O   VAL Q  74      72.137 243.099  78.098  1.00 14.40           O  
-ATOM  27086  CB  VAL Q  74      69.224 242.353  79.381  1.00 14.44           C  
-ATOM  27087  CG1 VAL Q  74      68.036 242.702  80.300  1.00 13.55           C  
-ATOM  27088  CG2 VAL Q  74      68.883 242.637  77.919  1.00 12.57           C  
-ATOM  27089  N   SER Q  75      72.166 241.397  79.575  1.00 14.54           N  
-ATOM  27090  CA  SER Q  75      73.096 240.559  78.823  1.00 15.19           C  
-ATOM  27091  C   SER Q  75      72.372 239.507  77.985  1.00 15.77           C  
-ATOM  27092  O   SER Q  75      71.505 238.828  78.496  1.00 16.20           O  
-ATOM  27093  CB  SER Q  75      74.012 239.841  79.787  1.00 15.41           C  
-ATOM  27094  OG  SER Q  75      74.762 240.773  80.521  1.00 14.59           O  
-ATOM  27095  N   VAL Q  76      72.753 239.368  76.715  1.00 15.86           N  
-ATOM  27096  CA  VAL Q  76      72.036 238.565  75.747  1.00 15.85           C  
-ATOM  27097  C   VAL Q  76      73.038 237.685  75.009  1.00 16.38           C  
-ATOM  27098  O   VAL Q  76      74.074 238.181  74.609  1.00 15.44           O  
-ATOM  27099  CB  VAL Q  76      71.272 239.433  74.715  1.00 16.38           C  
-ATOM  27100  CG1 VAL Q  76      70.474 238.557  73.715  1.00 14.71           C  
-ATOM  27101  CG2 VAL Q  76      70.340 240.436  75.428  1.00 14.60           C  
-ATOM  27102  N   PRO Q  77      72.746 236.377  74.877  1.00 17.16           N  
-ATOM  27103  CA  PRO Q  77      73.598 235.468  74.077  1.00 17.27           C  
-ATOM  27104  C   PRO Q  77      73.654 236.045  72.672  1.00 17.27           C  
-ATOM  27105  O   PRO Q  77      72.628 236.501  72.239  1.00 17.04           O  
-ATOM  27106  CB  PRO Q  77      72.835 234.137  74.074  1.00 17.14           C  
-ATOM  27107  CG  PRO Q  77      71.819 234.200  75.164  1.00 17.99           C  
-ATOM  27108  CD  PRO Q  77      71.589 235.685  75.492  1.00 17.36           C  
-ATOM  27109  N   ILE Q  78      74.808 236.097  72.021  1.00 18.14           N  
-ATOM  27110  CA  ILE Q  78      74.892 236.642  70.656  1.00 19.23           C  
-ATOM  27111  C   ILE Q  78      74.127 235.818  69.623  1.00 19.88           C  
-ATOM  27112  O   ILE Q  78      73.753 236.332  68.545  1.00 20.04           O  
-ATOM  27113  CB  ILE Q  78      76.363 236.852  70.210  1.00 19.89           C  
-ATOM  27114  CG1 ILE Q  78      77.116 235.519  70.092  1.00 20.45           C  
-ATOM  27115  CG2 ILE Q  78      77.062 237.871  71.106  1.00 18.76           C  
-ATOM  27116  CD1 ILE Q  78      78.417 235.631  69.212  1.00 23.63           C  
-ATOM  27117  N   SER Q  79      73.862 234.550  69.943  1.00 20.04           N  
-ATOM  27118  CA  SER Q  79      73.028 233.720  69.070  1.00 21.26           C  
-ATOM  27119  C   SER Q  79      71.613 234.305  68.935  1.00 20.92           C  
-ATOM  27120  O   SER Q  79      70.895 234.023  67.992  1.00 21.18           O  
-ATOM  27121  CB  SER Q  79      72.992 232.255  69.540  1.00 21.74           C  
-ATOM  27122  OG  SER Q  79      72.222 232.051  70.719  1.00 24.17           O  
-ATOM  27123  N   SER Q  80      71.214 235.146  69.881  1.00 20.74           N  
-ATOM  27124  CA  SER Q  80      69.885 235.744  69.814  1.00 20.90           C  
-ATOM  27125  C   SER Q  80      69.914 237.116  69.128  1.00 20.54           C  
-ATOM  27126  O   SER Q  80      68.880 237.772  69.034  1.00 21.08           O  
-ATOM  27127  CB  SER Q  80      69.296 235.877  71.214  1.00 20.72           C  
-ATOM  27128  OG  SER Q  80      68.885 234.607  71.689  1.00 24.19           O  
-ATOM  27129  N   LEU Q  81      71.078 237.540  68.644  1.00 19.33           N  
-ATOM  27130  CA  LEU Q  81      71.215 238.906  68.121  1.00 19.80           C  
-ATOM  27131  C   LEU Q  81      71.829 238.895  66.744  1.00 18.71           C  
-ATOM  27132  O   LEU Q  81      72.705 238.093  66.470  1.00 18.12           O  
-ATOM  27133  CB  LEU Q  81      72.193 239.741  68.991  1.00 20.17           C  
-ATOM  27134  CG  LEU Q  81      71.844 240.072  70.430  1.00 22.01           C  
-ATOM  27135  CD1 LEU Q  81      72.887 240.960  71.037  1.00 22.69           C  
-ATOM  27136  CD2 LEU Q  81      70.482 240.767  70.479  1.00 24.42           C  
-ATOM  27137  N   TRP Q  82      71.449 239.829  65.889  1.00 17.85           N  
-ATOM  27138  CA  TRP Q  82      72.335 240.094  64.749  1.00 17.68           C  
-ATOM  27139  C   TRP Q  82      73.630 240.732  65.249  1.00 17.52           C  
-ATOM  27140  O   TRP Q  82      73.596 241.601  66.115  1.00 17.64           O  
-ATOM  27141  CB  TRP Q  82      71.686 240.997  63.719  1.00 16.62           C  
-ATOM  27142  CG  TRP Q  82      72.616 241.345  62.575  1.00 17.32           C  
-ATOM  27143  CD1 TRP Q  82      72.751 240.671  61.409  1.00 16.03           C  
-ATOM  27144  CD2 TRP Q  82      73.494 242.498  62.470  1.00 15.93           C  
-ATOM  27145  NE1 TRP Q  82      73.645 241.305  60.579  1.00 15.98           N  
-ATOM  27146  CE2 TRP Q  82      74.111 242.434  61.202  1.00 16.92           C  
-ATOM  27147  CE3 TRP Q  82      73.784 243.588  63.311  1.00 15.38           C  
-ATOM  27148  CZ2 TRP Q  82      75.046 243.382  60.766  1.00 15.33           C  
-ATOM  27149  CZ3 TRP Q  82      74.687 244.563  62.877  1.00 15.28           C  
-ATOM  27150  CH2 TRP Q  82      75.301 244.462  61.608  1.00 16.26           C  
-ATOM  27151  N   VAL Q  83      74.750 240.287  64.685  1.00 17.69           N  
-ATOM  27152  CA  VAL Q  83      76.094 240.725  65.035  1.00 18.33           C  
-ATOM  27153  C   VAL Q  83      76.825 241.015  63.711  1.00 18.61           C  
-ATOM  27154  O   VAL Q  83      76.671 240.275  62.758  1.00 18.51           O  
-ATOM  27155  CB  VAL Q  83      76.830 239.602  65.885  1.00 19.16           C  
-ATOM  27156  CG1 VAL Q  83      78.298 239.781  65.924  1.00 20.77           C  
-ATOM  27157  CG2 VAL Q  83      76.307 239.616  67.289  1.00 19.47           C  
-ATOM  27158  N   PRO Q  84      77.585 242.105  63.621  1.00 18.79           N  
-ATOM  27159  CA  PRO Q  84      78.307 242.404  62.376  1.00 18.90           C  
-ATOM  27160  C   PRO Q  84      79.290 241.286  62.007  1.00 18.35           C  
-ATOM  27161  O   PRO Q  84      79.964 240.750  62.869  1.00 18.34           O  
-ATOM  27162  CB  PRO Q  84      79.043 243.744  62.662  1.00 18.49           C  
-ATOM  27163  CG  PRO Q  84      78.681 244.130  64.097  1.00 19.17           C  
-ATOM  27164  CD  PRO Q  84      77.786 243.135  64.668  1.00 18.98           C  
-ATOM  27165  N   ASP Q  85      79.361 240.964  60.719  1.00 17.62           N  
-ATOM  27166  CA  ASP Q  85      80.207 239.907  60.209  1.00 17.37           C  
-ATOM  27167  C   ASP Q  85      81.647 240.384  60.033  1.00 17.29           C  
-ATOM  27168  O   ASP Q  85      82.243 240.240  58.974  1.00 16.94           O  
-ATOM  27169  CB  ASP Q  85      79.618 239.356  58.885  1.00 16.95           C  
-ATOM  27170  CG  ASP Q  85      79.545 240.400  57.773  1.00 19.34           C  
-ATOM  27171  OD1 ASP Q  85      79.362 241.635  58.055  1.00 18.62           O  
-ATOM  27172  OD2 ASP Q  85      79.657 240.087  56.551  1.00 20.69           O  
-ATOM  27173  N   LEU Q  86      82.214 240.955  61.089  1.00 16.90           N  
-ATOM  27174  CA  LEU Q  86      83.588 241.432  61.032  1.00 17.06           C  
-ATOM  27175  C   LEU Q  86      84.612 240.343  60.827  1.00 17.39           C  
-ATOM  27176  O   LEU Q  86      84.487 239.235  61.374  1.00 17.82           O  
-ATOM  27177  CB  LEU Q  86      83.920 242.234  62.285  1.00 17.16           C  
-ATOM  27178  CG  LEU Q  86      82.987 243.448  62.458  1.00 17.05           C  
-ATOM  27179  CD1 LEU Q  86      83.330 244.182  63.728  1.00 17.80           C  
-ATOM  27180  CD2 LEU Q  86      83.015 244.401  61.246  1.00 15.53           C  
-ATOM  27181  N   ALA Q  87      85.626 240.644  60.021  1.00 17.06           N  
-ATOM  27182  CA  ALA Q  87      86.760 239.731  59.905  1.00 17.47           C  
-ATOM  27183  C   ALA Q  87      88.052 240.518  59.839  1.00 17.65           C  
-ATOM  27184  O   ALA Q  87      88.068 241.652  59.340  1.00 17.04           O  
-ATOM  27185  CB  ALA Q  87      86.611 238.793  58.676  1.00 17.06           C  
-ATOM  27186  N   ALA Q  88      89.117 239.946  60.385  1.00 17.62           N  
-ATOM  27187  CA  ALA Q  88      90.442 240.541  60.221  1.00 17.42           C  
-ATOM  27188  C   ALA Q  88      91.030 239.936  58.951  1.00 17.54           C  
-ATOM  27189  O   ALA Q  88      91.265 238.715  58.878  1.00 17.71           O  
-ATOM  27190  CB  ALA Q  88      91.300 240.238  61.409  1.00 17.57           C  
-ATOM  27191  N   TYR Q  89      91.321 240.794  57.986  1.00 17.07           N  
-ATOM  27192  CA  TYR Q  89      91.791 240.406  56.641  1.00 17.29           C  
-ATOM  27193  C   TYR Q  89      93.182 239.805  56.584  1.00 16.92           C  
-ATOM  27194  O   TYR Q  89      93.504 239.072  55.650  1.00 16.94           O  
-ATOM  27195  CB  TYR Q  89      91.796 241.628  55.712  1.00 17.19           C  
-ATOM  27196  CG  TYR Q  89      90.464 241.974  55.125  1.00 18.13           C  
-ATOM  27197  CD1 TYR Q  89      89.395 242.351  55.944  1.00 18.94           C  
-ATOM  27198  CD2 TYR Q  89      90.275 241.976  53.738  1.00 18.58           C  
-ATOM  27199  CE1 TYR Q  89      88.162 242.719  55.393  1.00 21.43           C  
-ATOM  27200  CE2 TYR Q  89      89.038 242.342  53.171  1.00 19.49           C  
-ATOM  27201  CZ  TYR Q  89      87.986 242.695  53.999  1.00 22.50           C  
-ATOM  27202  OH  TYR Q  89      86.767 243.033  53.423  1.00 24.48           O  
-ATOM  27203  N   ASN Q  90      94.018 240.163  57.547  1.00 15.94           N  
-ATOM  27204  CA  ASN Q  90      95.354 239.571  57.620  1.00 15.97           C  
-ATOM  27205  C   ASN Q  90      95.509 238.513  58.738  1.00 15.50           C  
-ATOM  27206  O   ASN Q  90      96.622 238.176  59.125  1.00 15.38           O  
-ATOM  27207  CB  ASN Q  90      96.439 240.639  57.686  1.00 15.23           C  
-ATOM  27208  CG  ASN Q  90      96.281 241.533  58.885  1.00 16.58           C  
-ATOM  27209  OD1 ASN Q  90      95.146 241.889  59.284  1.00 16.64           O  
-ATOM  27210  ND2 ASN Q  90      97.401 241.865  59.512  1.00 14.77           N  
-ATOM  27211  N   ALA Q  91      94.383 237.980  59.213  1.00 15.46           N  
-ATOM  27212  CA  ALA Q  91      94.390 236.891  60.202  1.00 15.18           C  
-ATOM  27213  C   ALA Q  91      94.795 235.605  59.529  1.00 15.49           C  
-ATOM  27214  O   ALA Q  91      94.420 235.359  58.374  1.00 14.73           O  
-ATOM  27215  CB  ALA Q  91      93.047 236.739  60.811  1.00 15.40           C  
-ATOM  27216  N   ILE Q  92      95.591 234.799  60.237  1.00 15.62           N  
-ATOM  27217  CA  ILE Q  92      96.077 233.522  59.681  1.00 16.38           C  
-ATOM  27218  C   ILE Q  92      95.650 232.358  60.585  1.00 16.97           C  
-ATOM  27219  O   ILE Q  92      96.079 231.242  60.408  1.00 16.90           O  
-ATOM  27220  CB  ILE Q  92      97.612 233.535  59.431  1.00 16.62           C  
-ATOM  27221  CG1 ILE Q  92      98.381 233.862  60.712  1.00 16.31           C  
-ATOM  27222  CG2 ILE Q  92      97.980 234.511  58.284  1.00 15.97           C  
-ATOM  27223  CD1 ILE Q  92      99.833 233.510  60.615  1.00 16.09           C  
-ATOM  27224  N   SER Q  93      94.807 232.653  61.566  1.00 17.66           N  
-ATOM  27225  CA  SER Q  93      94.133 231.614  62.356  1.00 19.07           C  
-ATOM  27226  C   SER Q  93      92.682 232.052  62.581  1.00 19.42           C  
-ATOM  27227  O   SER Q  93      92.362 233.223  62.404  1.00 19.59           O  
-ATOM  27228  CB  SER Q  93      94.860 231.391  63.695  1.00 18.53           C  
-ATOM  27229  OG  SER Q  93      94.662 232.519  64.564  1.00 18.84           O  
-ATOM  27230  N   LYS Q  94      91.797 231.127  62.965  1.00 21.12           N  
-ATOM  27231  CA  LYS Q  94      90.437 231.566  63.371  1.00 23.11           C  
-ATOM  27232  C   LYS Q  94      90.483 232.339  64.682  1.00 22.59           C  
-ATOM  27233  O   LYS Q  94      91.289 231.997  65.559  1.00 21.28           O  
-ATOM  27234  CB  LYS Q  94      89.412 230.436  63.546  1.00 23.92           C  
-ATOM  27235  CG  LYS Q  94      89.916 229.009  63.426  1.00 28.91           C  
-ATOM  27236  CD  LYS Q  94      88.962 228.178  62.559  1.00 33.94           C  
-ATOM  27237  CE  LYS Q  94      87.856 227.476  63.374  1.00 38.20           C  
-ATOM  27238  NZ  LYS Q  94      86.482 227.915  62.948  1.00 40.39           N  
-ATOM  27239  N   PRO Q  95      89.586 233.327  64.841  1.00 22.23           N  
-ATOM  27240  CA  PRO Q  95      89.517 234.055  66.113  1.00 22.09           C  
-ATOM  27241  C   PRO Q  95      89.086 233.036  67.194  1.00 22.60           C  
-ATOM  27242  O   PRO Q  95      87.976 232.493  67.084  1.00 23.19           O  
-ATOM  27243  CB  PRO Q  95      88.413 235.120  65.899  1.00 21.97           C  
-ATOM  27244  CG  PRO Q  95      87.736 234.796  64.544  1.00 23.04           C  
-ATOM  27245  CD  PRO Q  95      88.521 233.717  63.891  1.00 21.90           C  
-ATOM  27246  N   GLU Q  96      89.960 232.774  68.165  1.00 22.24           N  
-ATOM  27247  CA  GLU Q  96      89.639 232.044  69.379  1.00 22.95           C  
-ATOM  27248  C   GLU Q  96      89.006 233.010  70.401  1.00 22.02           C  
-ATOM  27249  O   GLU Q  96      89.663 233.916  70.903  1.00 21.49           O  
-ATOM  27250  CB  GLU Q  96      90.934 231.440  69.942  1.00 23.52           C  
-ATOM  27251  CG  GLU Q  96      90.817 230.335  70.985  1.00 28.47           C  
-ATOM  27252  CD  GLU Q  96      92.193 229.769  71.393  1.00 35.03           C  
-ATOM  27253  OE1 GLU Q  96      93.137 229.828  70.550  1.00 38.04           O  
-ATOM  27254  OE2 GLU Q  96      92.344 229.262  72.554  1.00 38.20           O  
-ATOM  27255  N   VAL Q  97      87.729 232.806  70.683  1.00 21.09           N  
-ATOM  27256  CA  VAL Q  97      86.993 233.646  71.638  1.00 20.15           C  
-ATOM  27257  C   VAL Q  97      87.160 233.055  73.041  1.00 19.87           C  
-ATOM  27258  O   VAL Q  97      86.778 231.911  73.267  1.00 19.49           O  
-ATOM  27259  CB  VAL Q  97      85.500 233.731  71.310  1.00 20.33           C  
-ATOM  27260  CG1 VAL Q  97      84.798 234.600  72.353  1.00 19.22           C  
-ATOM  27261  CG2 VAL Q  97      85.269 234.247  69.838  1.00 18.59           C  
-ATOM  27262  N   LEU Q  98      87.710 233.842  73.968  1.00 19.17           N  
-ATOM  27263  CA  LEU Q  98      88.124 233.343  75.264  1.00 18.98           C  
-ATOM  27264  C   LEU Q  98      87.073 233.553  76.341  1.00 18.84           C  
-ATOM  27265  O   LEU Q  98      87.170 232.941  77.402  1.00 19.20           O  
-ATOM  27266  CB  LEU Q  98      89.454 233.983  75.690  1.00 19.18           C  
-ATOM  27267  CG  LEU Q  98      90.640 233.922  74.717  1.00 20.09           C  
-ATOM  27268  CD1 LEU Q  98      91.837 234.699  75.272  1.00 19.24           C  
-ATOM  27269  CD2 LEU Q  98      91.007 232.475  74.421  1.00 20.29           C  
-ATOM  27270  N   THR Q  99      86.069 234.380  76.061  1.00 18.26           N  
-ATOM  27271  CA  THR Q  99      85.091 234.819  77.062  1.00 18.10           C  
-ATOM  27272  C   THR Q  99      83.678 234.361  76.711  1.00 18.45           C  
-ATOM  27273  O   THR Q  99      83.389 233.993  75.565  1.00 18.74           O  
-ATOM  27274  CB  THR Q  99      85.061 236.384  77.117  1.00 18.00           C  
-ATOM  27275  OG1 THR Q  99      85.184 236.880  75.789  1.00 17.19           O  
-ATOM  27276  CG2 THR Q  99      86.275 236.962  77.827  1.00 16.71           C  
-ATOM  27277  N   PRO Q 100      82.771 234.435  77.676  1.00 18.81           N  
-ATOM  27278  CA  PRO Q 100      81.359 234.112  77.409  1.00 18.55           C  
-ATOM  27279  C   PRO Q 100      80.762 234.985  76.290  1.00 19.35           C  
-ATOM  27280  O   PRO Q 100      81.024 236.215  76.222  1.00 18.44           O  
-ATOM  27281  CB  PRO Q 100      80.667 234.382  78.747  1.00 18.66           C  
-ATOM  27282  CG  PRO Q 100      81.771 234.232  79.798  1.00 19.18           C  
-ATOM  27283  CD  PRO Q 100      83.029 234.741  79.105  1.00 18.31           C  
-ATOM  27284  N   GLN Q 101      79.980 234.357  75.407  1.00 18.75           N  
-ATOM  27285  CA  GLN Q 101      79.550 235.038  74.168  1.00 19.67           C  
-ATOM  27286  C   GLN Q 101      78.237 235.786  74.399  1.00 19.36           C  
-ATOM  27287  O   GLN Q 101      77.194 235.451  73.852  1.00 19.20           O  
-ATOM  27288  CB  GLN Q 101      79.505 234.031  72.996  1.00 19.87           C  
-ATOM  27289  CG  GLN Q 101      80.953 233.619  72.589  1.00 23.92           C  
-ATOM  27290  CD  GLN Q 101      81.035 232.583  71.479  1.00 29.10           C  
-ATOM  27291  OE1 GLN Q 101      80.428 232.744  70.420  1.00 32.05           O  
-ATOM  27292  NE2 GLN Q 101      81.825 231.542  71.700  1.00 29.65           N  
-ATOM  27293  N   LEU Q 102      78.313 236.788  75.279  1.00 18.67           N  
-ATOM  27294  CA  LEU Q 102      77.168 237.602  75.642  1.00 18.33           C  
-ATOM  27295  C   LEU Q 102      77.407 239.067  75.255  1.00 17.26           C  
-ATOM  27296  O   LEU Q 102      78.494 239.588  75.453  1.00 16.14           O  
-ATOM  27297  CB  LEU Q 102      76.924 237.534  77.145  1.00 17.97           C  
-ATOM  27298  CG  LEU Q 102      76.741 236.165  77.806  1.00 20.92           C  
-ATOM  27299  CD1 LEU Q 102      76.620 236.331  79.335  1.00 21.22           C  
-ATOM  27300  CD2 LEU Q 102      75.544 235.420  77.250  1.00 20.32           C  
-ATOM  27301  N   ALA Q 103      76.379 239.692  74.710  1.00 16.66           N  
-ATOM  27302  CA  ALA Q 103      76.417 241.112  74.371  1.00 16.75           C  
-ATOM  27303  C   ALA Q 103      75.590 241.836  75.417  1.00 17.16           C  
-ATOM  27304  O   ALA Q 103      74.673 241.250  76.026  1.00 17.62           O  
-ATOM  27305  CB  ALA Q 103      75.891 241.350  73.021  1.00 16.37           C  
-ATOM  27306  N   ARG Q 104      75.935 243.104  75.642  1.00 16.67           N  
-ATOM  27307  CA  ARG Q 104      75.161 243.969  76.506  1.00 16.28           C  
-ATOM  27308  C   ARG Q 104      74.216 244.815  75.654  1.00 16.11           C  
-ATOM  27309  O   ARG Q 104      74.653 245.484  74.715  1.00 15.89           O  
-ATOM  27310  CB  ARG Q 104      76.121 244.802  77.347  1.00 16.50           C  
-ATOM  27311  CG  ARG Q 104      75.497 245.371  78.584  1.00 18.22           C  
-ATOM  27312  CD  ARG Q 104      75.259 244.363  79.699  1.00 17.81           C  
-ATOM  27313  NE  ARG Q 104      74.690 245.096  80.805  1.00 16.68           N  
-ATOM  27314  CZ  ARG Q 104      74.077 244.594  81.861  1.00 17.68           C  
-ATOM  27315  NH1 ARG Q 104      73.927 243.272  82.054  1.00 13.49           N  
-ATOM  27316  NH2 ARG Q 104      73.594 245.470  82.744  1.00 15.14           N  
-ATOM  27317  N   VAL Q 105      72.913 244.731  75.937  1.00 15.64           N  
-ATOM  27318  CA  VAL Q 105      71.919 245.425  75.150  1.00 15.09           C  
-ATOM  27319  C   VAL Q 105      71.199 246.468  75.988  1.00 15.35           C  
-ATOM  27320  O   VAL Q 105      70.605 246.134  77.043  1.00 15.01           O  
-ATOM  27321  CB  VAL Q 105      70.886 244.450  74.510  1.00 15.57           C  
-ATOM  27322  CG1 VAL Q 105      69.825 245.198  73.707  1.00 14.29           C  
-ATOM  27323  CG2 VAL Q 105      71.590 243.396  73.647  1.00 14.82           C  
-ATOM  27324  N   VAL Q 106      71.234 247.721  75.513  1.00 14.90           N  
-ATOM  27325  CA  VAL Q 106      70.565 248.844  76.206  1.00 14.91           C  
-ATOM  27326  C   VAL Q 106      69.142 249.005  75.684  1.00 14.62           C  
-ATOM  27327  O   VAL Q 106      68.882 248.672  74.548  1.00 14.40           O  
-ATOM  27328  CB  VAL Q 106      71.376 250.184  76.111  1.00 15.20           C  
-ATOM  27329  CG1 VAL Q 106      70.790 251.258  77.008  1.00 13.73           C  
-ATOM  27330  CG2 VAL Q 106      72.814 249.978  76.528  1.00 15.61           C  
-ATOM  27331  N   SER Q 107      68.215 249.474  76.517  1.00 14.95           N  
-ATOM  27332  CA  SER Q 107      66.796 249.600  76.105  1.00 15.69           C  
-ATOM  27333  C   SER Q 107      66.505 250.473  74.863  1.00 16.30           C  
-ATOM  27334  O   SER Q 107      65.411 250.384  74.297  1.00 15.86           O  
-ATOM  27335  CB  SER Q 107      65.939 250.089  77.259  1.00 15.59           C  
-ATOM  27336  OG  SER Q 107      66.303 251.404  77.634  1.00 15.86           O  
-ATOM  27337  N   ASP Q 108      67.458 251.308  74.442  1.00 16.72           N  
-ATOM  27338  CA  ASP Q 108      67.245 252.075  73.226  1.00 18.23           C  
-ATOM  27339  C   ASP Q 108      67.711 251.324  71.993  1.00 18.04           C  
-ATOM  27340  O   ASP Q 108      67.600 251.838  70.886  1.00 18.14           O  
-ATOM  27341  CB  ASP Q 108      67.887 253.470  73.283  1.00 18.43           C  
-ATOM  27342  CG  ASP Q 108      69.404 253.441  73.503  1.00 21.54           C  
-ATOM  27343  OD1 ASP Q 108      70.043 252.359  73.515  1.00 23.53           O  
-ATOM  27344  OD2 ASP Q 108      70.046 254.494  73.702  1.00 24.66           O  
-ATOM  27345  N   GLY Q 109      68.250 250.129  72.185  1.00 17.85           N  
-ATOM  27346  CA  GLY Q 109      68.751 249.314  71.081  1.00 17.86           C  
-ATOM  27347  C   GLY Q 109      70.262 249.326  70.873  1.00 17.97           C  
-ATOM  27348  O   GLY Q 109      70.770 248.641  69.956  1.00 18.53           O  
-ATOM  27349  N   GLU Q 110      70.995 250.034  71.723  1.00 17.64           N  
-ATOM  27350  CA  GLU Q 110      72.452 250.048  71.619  1.00 18.66           C  
-ATOM  27351  C   GLU Q 110      72.994 248.726  72.104  1.00 17.91           C  
-ATOM  27352  O   GLU Q 110      72.567 248.193  73.142  1.00 17.37           O  
-ATOM  27353  CB  GLU Q 110      73.109 251.150  72.437  1.00 18.90           C  
-ATOM  27354  CG  GLU Q 110      72.911 252.568  71.923  1.00 24.81           C  
-ATOM  27355  CD  GLU Q 110      73.355 252.779  70.477  1.00 31.43           C  
-ATOM  27356  OE1 GLU Q 110      74.561 252.522  70.150  1.00 33.72           O  
-ATOM  27357  OE2 GLU Q 110      72.492 253.217  69.671  1.00 34.43           O  
-ATOM  27358  N   VAL Q 111      73.957 248.211  71.355  1.00 17.12           N  
-ATOM  27359  CA  VAL Q 111      74.576 246.942  71.716  1.00 16.32           C  
-ATOM  27360  C   VAL Q 111      76.087 247.124  71.905  1.00 16.42           C  
-ATOM  27361  O   VAL Q 111      76.750 247.807  71.133  1.00 15.55           O  
-ATOM  27362  CB  VAL Q 111      74.323 245.848  70.630  1.00 16.15           C  
-ATOM  27363  CG1 VAL Q 111      74.785 244.481  71.138  1.00 15.37           C  
-ATOM  27364  CG2 VAL Q 111      72.876 245.802  70.180  1.00 14.54           C  
-ATOM  27365  N   LEU Q 112      76.629 246.466  72.914  1.00 16.52           N  
-ATOM  27366  CA  LEU Q 112      78.077 246.367  73.095  1.00 16.85           C  
-ATOM  27367  C   LEU Q 112      78.445 244.875  73.169  1.00 16.96           C  
-ATOM  27368  O   LEU Q 112      77.970 244.177  74.055  1.00 15.96           O  
-ATOM  27369  CB  LEU Q 112      78.493 247.051  74.396  1.00 16.73           C  
-ATOM  27370  CG  LEU Q 112      79.919 246.754  74.904  1.00 18.86           C  
-ATOM  27371  CD1 LEU Q 112      80.976 247.370  73.972  1.00 16.90           C  
-ATOM  27372  CD2 LEU Q 112      80.121 247.347  76.316  1.00 20.14           C  
-ATOM  27373  N   TYR Q 113      79.269 244.412  72.237  1.00 16.87           N  
-ATOM  27374  CA  TYR Q 113      79.795 243.074  72.259  1.00 17.77           C  
-ATOM  27375  C   TYR Q 113      81.310 243.200  72.303  1.00 17.90           C  
-ATOM  27376  O   TYR Q 113      81.916 243.868  71.426  1.00 17.76           O  
-ATOM  27377  CB  TYR Q 113      79.330 242.285  71.007  1.00 18.25           C  
-ATOM  27378  CG  TYR Q 113      79.864 240.876  70.984  1.00 19.33           C  
-ATOM  27379  CD1 TYR Q 113      79.795 240.079  72.128  1.00 19.91           C  
-ATOM  27380  CD2 TYR Q 113      80.440 240.334  69.816  1.00 20.47           C  
-ATOM  27381  CE1 TYR Q 113      80.311 238.769  72.119  1.00 22.36           C  
-ATOM  27382  CE2 TYR Q 113      80.967 238.996  69.807  1.00 19.87           C  
-ATOM  27383  CZ  TYR Q 113      80.901 238.254  70.961  1.00 22.69           C  
-ATOM  27384  OH  TYR Q 113      81.392 236.970  70.990  1.00 27.40           O  
-ATOM  27385  N   MET Q 114      81.930 242.628  73.328  1.00 17.06           N  
-ATOM  27386  CA  MET Q 114      83.359 242.829  73.552  1.00 17.28           C  
-ATOM  27387  C   MET Q 114      83.993 241.508  73.973  1.00 17.17           C  
-ATOM  27388  O   MET Q 114      84.278 241.278  75.150  1.00 16.56           O  
-ATOM  27389  CB  MET Q 114      83.595 243.900  74.654  1.00 18.01           C  
-ATOM  27390  CG  MET Q 114      85.047 244.380  74.827  1.00 20.39           C  
-ATOM  27391  SD  MET Q 114      85.249 246.025  75.641  1.00 27.11           S  
-ATOM  27392  CE  MET Q 114      83.724 246.355  76.029  1.00 26.75           C  
-ATOM  27393  N   PRO Q 115      84.184 240.623  73.021  1.00 16.83           N  
-ATOM  27394  CA  PRO Q 115      84.859 239.353  73.297  1.00 16.65           C  
-ATOM  27395  C   PRO Q 115      86.373 239.511  73.504  1.00 16.79           C  
-ATOM  27396  O   PRO Q 115      86.968 240.368  72.867  1.00 16.64           O  
-ATOM  27397  CB  PRO Q 115      84.574 238.551  72.034  1.00 16.74           C  
-ATOM  27398  CG  PRO Q 115      84.398 239.551  70.957  1.00 16.55           C  
-ATOM  27399  CD  PRO Q 115      83.757 240.749  71.605  1.00 16.83           C  
-ATOM  27400  N   SER Q 116      86.988 238.741  74.407  1.00 16.62           N  
-ATOM  27401  CA  SER Q 116      88.442 238.599  74.378  1.00 16.95           C  
-ATOM  27402  C   SER Q 116      88.787 237.562  73.294  1.00 17.28           C  
-ATOM  27403  O   SER Q 116      88.229 236.449  73.287  1.00 16.95           O  
-ATOM  27404  CB  SER Q 116      88.977 238.137  75.720  1.00 17.08           C  
-ATOM  27405  OG  SER Q 116      90.405 238.013  75.727  1.00 18.73           O  
-ATOM  27406  N   ILE Q 117      89.724 237.914  72.411  1.00 17.56           N  
-ATOM  27407  CA  ILE Q 117      90.062 237.107  71.244  1.00 17.63           C  
-ATOM  27408  C   ILE Q 117      91.559 236.841  71.199  1.00 17.73           C  
-ATOM  27409  O   ILE Q 117      92.366 237.738  71.399  1.00 17.56           O  
-ATOM  27410  CB  ILE Q 117      89.566 237.814  69.933  1.00 18.21           C  
-ATOM  27411  CG1 ILE Q 117      88.028 237.855  69.901  1.00 20.26           C  
-ATOM  27412  CG2 ILE Q 117      90.077 237.092  68.651  1.00 18.01           C  
-ATOM  27413  CD1 ILE Q 117      87.395 238.269  68.590  1.00 20.87           C  
-ATOM  27414  N   ARG Q 118      91.924 235.582  70.975  1.00 17.74           N  
-ATOM  27415  CA  ARG Q 118      93.285 235.237  70.667  1.00 17.91           C  
-ATOM  27416  C   ARG Q 118      93.341 234.859  69.180  1.00 17.67           C  
-ATOM  27417  O   ARG Q 118      92.518 234.068  68.688  1.00 17.41           O  
-ATOM  27418  CB  ARG Q 118      93.787 234.060  71.538  1.00 18.35           C  
-ATOM  27419  CG  ARG Q 118      95.258 233.773  71.259  1.00 19.58           C  
-ATOM  27420  CD  ARG Q 118      95.806 232.548  71.947  1.00 23.17           C  
-ATOM  27421  NE  ARG Q 118      97.231 232.387  71.655  1.00 26.25           N  
-ATOM  27422  CZ  ARG Q 118      98.133 231.837  72.480  1.00 27.93           C  
-ATOM  27423  NH1 ARG Q 118      97.785 231.358  73.682  1.00 27.80           N  
-ATOM  27424  NH2 ARG Q 118      99.400 231.747  72.095  1.00 27.44           N  
-ATOM  27425  N   GLN Q 119      94.294 235.436  68.459  1.00 17.21           N  
-ATOM  27426  CA  GLN Q 119      94.331 235.263  67.012  1.00 16.80           C  
-ATOM  27427  C   GLN Q 119      95.732 235.571  66.537  1.00 16.66           C  
-ATOM  27428  O   GLN Q 119      96.450 236.332  67.202  1.00 16.61           O  
-ATOM  27429  CB  GLN Q 119      93.316 236.178  66.319  1.00 17.09           C  
-ATOM  27430  CG  GLN Q 119      93.075 235.808  64.882  1.00 17.38           C  
-ATOM  27431  CD  GLN Q 119      91.821 236.432  64.334  1.00 18.42           C  
-ATOM  27432  OE1 GLN Q 119      91.438 237.543  64.728  1.00 20.24           O  
-ATOM  27433  NE2 GLN Q 119      91.177 235.726  63.408  1.00 18.29           N  
-ATOM  27434  N   ARG Q 120      96.093 234.982  65.388  1.00 15.19           N  
-ATOM  27435  CA  ARG Q 120      97.410 235.087  64.785  1.00 15.56           C  
-ATOM  27436  C   ARG Q 120      97.321 235.960  63.514  1.00 13.90           C  
-ATOM  27437  O   ARG Q 120      96.326 235.937  62.785  1.00 13.88           O  
-ATOM  27438  CB  ARG Q 120      97.877 233.648  64.437  1.00 16.92           C  
-ATOM  27439  CG  ARG Q 120      99.381 233.343  64.242  1.00 22.10           C  
-ATOM  27440  CD  ARG Q 120      99.758 231.838  64.604  1.00 27.90           C  
-ATOM  27441  NE  ARG Q 120      98.842 231.323  65.650  1.00 34.67           N  
-ATOM  27442  CZ  ARG Q 120      97.955 230.298  65.523  1.00 35.98           C  
-ATOM  27443  NH1 ARG Q 120      97.857 229.601  64.384  1.00 35.09           N  
-ATOM  27444  NH2 ARG Q 120      97.168 229.973  66.555  1.00 32.38           N  
-ATOM  27445  N   PHE Q 121      98.372 236.701  63.220  1.00 13.62           N  
-ATOM  27446  CA  PHE Q 121      98.306 237.687  62.143  1.00 13.75           C  
-ATOM  27447  C   PHE Q 121      99.585 237.765  61.353  1.00 13.81           C  
-ATOM  27448  O   PHE Q 121     100.678 237.703  61.894  1.00 12.62           O  
-ATOM  27449  CB  PHE Q 121      97.969 239.087  62.654  1.00 13.07           C  
-ATOM  27450  CG  PHE Q 121      96.659 239.197  63.379  1.00 14.98           C  
-ATOM  27451  CD1 PHE Q 121      95.495 239.528  62.683  1.00 16.18           C  
-ATOM  27452  CD2 PHE Q 121      96.601 239.101  64.773  1.00 13.99           C  
-ATOM  27453  CE1 PHE Q 121      94.279 239.678  63.354  1.00 14.10           C  
-ATOM  27454  CE2 PHE Q 121      95.380 239.282  65.458  1.00 14.27           C  
-ATOM  27455  CZ  PHE Q 121      94.217 239.565  64.728  1.00 13.48           C  
-ATOM  27456  N   SER Q 122      99.416 237.932  60.053  1.00 15.54           N  
-ATOM  27457  CA  SER Q 122     100.522 238.193  59.177  1.00 16.66           C  
-ATOM  27458  C   SER Q 122     100.698 239.712  59.093  1.00 17.38           C  
-ATOM  27459  O   SER Q 122      99.754 240.435  58.716  1.00 16.66           O  
-ATOM  27460  CB  SER Q 122     100.247 237.611  57.807  1.00 16.22           C  
-ATOM  27461  OG  SER Q 122     101.080 238.268  56.853  1.00 16.87           O  
-ATOM  27462  N   CYS Q 123     101.878 240.199  59.481  1.00 18.08           N  
-ATOM  27463  CA  CYS Q 123     102.135 241.645  59.517  1.00 20.09           C  
-ATOM  27464  C   CYS Q 123     103.601 241.948  59.732  1.00 19.89           C  
-ATOM  27465  O   CYS Q 123     104.410 241.041  59.967  1.00 19.85           O  
-ATOM  27466  CB  CYS Q 123     101.289 242.364  60.576  1.00 21.08           C  
-ATOM  27467  SG  CYS Q 123     101.555 241.813  62.291  1.00 26.66           S  
-ATOM  27468  N   ASP Q 124     103.941 243.225  59.605  1.00 19.89           N  
-ATOM  27469  CA  ASP Q 124     105.332 243.679  59.696  1.00 19.68           C  
-ATOM  27470  C   ASP Q 124     105.889 243.553  61.119  1.00 19.45           C  
-ATOM  27471  O   ASP Q 124     105.516 244.302  62.010  1.00 19.39           O  
-ATOM  27472  CB  ASP Q 124     105.432 245.106  59.216  1.00 19.50           C  
-ATOM  27473  CG  ASP Q 124     106.835 245.465  58.756  1.00 20.29           C  
-ATOM  27474  OD1 ASP Q 124     107.756 244.649  58.901  1.00 19.68           O  
-ATOM  27475  OD2 ASP Q 124     107.091 246.537  58.215  1.00 21.15           O  
-ATOM  27476  N   VAL Q 125     106.744 242.562  61.330  1.00 19.19           N  
-ATOM  27477  CA  VAL Q 125     107.368 242.352  62.632  1.00 19.09           C  
-ATOM  27478  C   VAL Q 125     108.799 242.955  62.685  1.00 18.76           C  
-ATOM  27479  O   VAL Q 125     109.424 243.001  63.757  1.00 18.40           O  
-ATOM  27480  CB  VAL Q 125     107.327 240.832  63.044  1.00 19.13           C  
-ATOM  27481  CG1 VAL Q 125     108.013 240.601  64.348  1.00 19.02           C  
-ATOM  27482  CG2 VAL Q 125     105.906 240.367  63.146  1.00 18.72           C  
-ATOM  27483  N   SER Q 126     109.295 243.453  61.548  1.00 18.45           N  
-ATOM  27484  CA  SER Q 126     110.640 244.042  61.507  1.00 18.57           C  
-ATOM  27485  C   SER Q 126     110.760 245.206  62.474  1.00 18.33           C  
-ATOM  27486  O   SER Q 126     109.835 246.020  62.606  1.00 17.83           O  
-ATOM  27487  CB  SER Q 126     111.034 244.489  60.089  1.00 18.67           C  
-ATOM  27488  OG  SER Q 126     110.273 245.596  59.652  1.00 18.86           O  
-ATOM  27489  N   GLY Q 127     111.905 245.272  63.150  1.00 18.12           N  
-ATOM  27490  CA  GLY Q 127     112.167 246.319  64.128  1.00 17.73           C  
-ATOM  27491  C   GLY Q 127     111.680 246.044  65.552  1.00 17.46           C  
-ATOM  27492  O   GLY Q 127     111.856 246.878  66.422  1.00 17.18           O  
-ATOM  27493  N   VAL Q 128     111.095 244.876  65.798  1.00 17.16           N  
-ATOM  27494  CA  VAL Q 128     110.523 244.565  67.093  1.00 17.16           C  
-ATOM  27495  C   VAL Q 128     111.544 244.659  68.256  1.00 17.74           C  
-ATOM  27496  O   VAL Q 128     111.175 245.026  69.379  1.00 17.57           O  
-ATOM  27497  CB  VAL Q 128     109.787 243.199  67.088  1.00 17.25           C  
-ATOM  27498  CG1 VAL Q 128     110.770 242.009  66.949  1.00 16.88           C  
-ATOM  27499  CG2 VAL Q 128     108.931 243.047  68.334  1.00 17.32           C  
-ATOM  27500  N   ASP Q 129     112.814 244.350  67.997  1.00 18.54           N  
-ATOM  27501  CA  ASP Q 129     113.817 244.386  69.050  1.00 19.82           C  
-ATOM  27502  C   ASP Q 129     114.638 245.692  68.994  1.00 19.66           C  
-ATOM  27503  O   ASP Q 129     115.755 245.765  69.502  1.00 19.25           O  
-ATOM  27504  CB  ASP Q 129     114.693 243.111  69.044  1.00 20.34           C  
-ATOM  27505  CG  ASP Q 129     115.560 242.969  70.325  1.00 24.40           C  
-ATOM  27506  OD1 ASP Q 129     115.100 243.361  71.435  1.00 26.82           O  
-ATOM  27507  OD2 ASP Q 129     116.735 242.494  70.319  1.00 27.22           O  
-ATOM  27508  N   THR Q 130     114.057 246.735  68.407  1.00 19.32           N  
-ATOM  27509  CA  THR Q 130     114.655 248.061  68.498  1.00 19.14           C  
-ATOM  27510  C   THR Q 130     113.855 248.993  69.418  1.00 19.13           C  
-ATOM  27511  O   THR Q 130     112.807 248.617  69.953  1.00 18.76           O  
-ATOM  27512  CB  THR Q 130     114.830 248.695  67.102  1.00 18.94           C  
-ATOM  27513  OG1 THR Q 130     113.555 249.013  66.554  1.00 19.21           O  
-ATOM  27514  CG2 THR Q 130     115.387 247.699  66.097  1.00 20.03           C  
-ATOM  27515  N   GLU Q 131     114.362 250.211  69.607  1.00 19.08           N  
-ATOM  27516  CA  GLU Q 131     113.648 251.251  70.356  1.00 19.13           C  
-ATOM  27517  C   GLU Q 131     112.441 251.829  69.611  1.00 18.76           C  
-ATOM  27518  O   GLU Q 131     111.476 252.247  70.256  1.00 18.71           O  
-ATOM  27519  CB  GLU Q 131     114.618 252.383  70.731  1.00 19.87           C  
-ATOM  27520  CG  GLU Q 131     114.003 253.566  71.475  1.00 20.87           C  
-ATOM  27521  CD  GLU Q 131     115.037 254.350  72.258  1.00 23.10           C  
-ATOM  27522  OE1 GLU Q 131     116.183 254.502  71.761  1.00 25.23           O  
-ATOM  27523  OE2 GLU Q 131     114.710 254.813  73.374  1.00 23.12           O  
-ATOM  27524  N   SER Q 132     112.508 251.885  68.272  1.00 18.50           N  
-ATOM  27525  CA  SER Q 132     111.397 252.381  67.460  1.00 18.80           C  
-ATOM  27526  C   SER Q 132     110.299 251.322  67.404  1.00 18.81           C  
-ATOM  27527  O   SER Q 132     109.131 251.622  67.140  1.00 18.67           O  
-ATOM  27528  CB  SER Q 132     111.811 252.654  66.010  1.00 18.69           C  
-ATOM  27529  OG  SER Q 132     112.869 253.560  65.907  1.00 19.52           O  
-ATOM  27530  N   GLY Q 133     110.694 250.064  67.587  1.00 18.82           N  
-ATOM  27531  CA  GLY Q 133     109.741 248.968  67.608  1.00 18.16           C  
-ATOM  27532  C   GLY Q 133     109.204 248.566  66.250  1.00 18.13           C  
-ATOM  27533  O   GLY Q 133     109.564 249.130  65.234  1.00 17.28           O  
-ATOM  27534  N   ALA Q 134     108.342 247.551  66.254  1.00 18.30           N  
-ATOM  27535  CA  ALA Q 134     107.668 247.103  65.042  1.00 18.70           C  
-ATOM  27536  C   ALA Q 134     106.286 247.758  64.974  1.00 19.29           C  
-ATOM  27537  O   ALA Q 134     105.748 248.184  66.006  1.00 18.81           O  
-ATOM  27538  CB  ALA Q 134     107.539 245.612  65.041  1.00 17.85           C  
-ATOM  27539  N   THR Q 135     105.739 247.848  63.759  1.00 19.87           N  
-ATOM  27540  CA  THR Q 135     104.384 248.322  63.553  1.00 21.05           C  
-ATOM  27541  C   THR Q 135     103.563 247.265  62.812  1.00 21.58           C  
-ATOM  27542  O   THR Q 135     103.726 247.080  61.589  1.00 21.83           O  
-ATOM  27543  CB  THR Q 135     104.385 249.673  62.755  1.00 22.17           C  
-ATOM  27544  OG1 THR Q 135     105.131 250.674  63.476  1.00 22.94           O  
-ATOM  27545  CG2 THR Q 135     102.954 250.276  62.665  1.00 21.30           C  
-ATOM  27546  N   CYS Q 136     102.686 246.594  63.551  1.00 21.80           N  
-ATOM  27547  CA  CYS Q 136     101.796 245.564  63.006  1.00 22.98           C  
-ATOM  27548  C   CYS Q 136     100.432 246.175  62.716  1.00 22.49           C  
-ATOM  27549  O   CYS Q 136      99.781 246.711  63.614  1.00 22.58           O  
-ATOM  27550  CB  CYS Q 136     101.617 244.401  63.994  1.00 22.82           C  
-ATOM  27551  SG  CYS Q 136     100.443 243.123  63.411  1.00 30.36           S  
-ATOM  27552  N   ARG Q 137      99.994 246.064  61.467  1.00 22.02           N  
-ATOM  27553  CA  ARG Q 137      98.730 246.625  61.026  1.00 21.67           C  
-ATOM  27554  C   ARG Q 137      97.675 245.509  60.979  1.00 20.70           C  
-ATOM  27555  O   ARG Q 137      97.865 244.531  60.295  1.00 20.12           O  
-ATOM  27556  CB  ARG Q 137      98.948 247.217  59.634  1.00 22.09           C  
-ATOM  27557  CG  ARG Q 137      97.914 248.200  59.098  1.00 25.96           C  
-ATOM  27558  CD  ARG Q 137      98.450 249.196  58.016  1.00 30.63           C  
-ATOM  27559  NE  ARG Q 137      99.905 249.145  57.783  1.00 33.78           N  
-ATOM  27560  CZ  ARG Q 137     100.834 249.972  58.321  1.00 35.96           C  
-ATOM  27561  NH1 ARG Q 137     100.518 250.973  59.160  1.00 35.84           N  
-ATOM  27562  NH2 ARG Q 137     102.114 249.786  58.013  1.00 35.04           N  
-ATOM  27563  N   ILE Q 138      96.568 245.671  61.698  1.00 19.32           N  
-ATOM  27564  CA  ILE Q 138      95.476 244.713  61.624  1.00 18.63           C  
-ATOM  27565  C   ILE Q 138      94.269 245.364  60.949  1.00 18.26           C  
-ATOM  27566  O   ILE Q 138      93.788 246.407  61.398  1.00 18.11           O  
-ATOM  27567  CB  ILE Q 138      95.118 244.199  63.046  1.00 18.25           C  
-ATOM  27568  CG1 ILE Q 138      96.301 243.426  63.672  1.00 17.46           C  
-ATOM  27569  CG2 ILE Q 138      93.838 243.440  62.987  1.00 17.01           C  
-ATOM  27570  CD1 ILE Q 138      95.946 242.740  65.018  1.00 17.29           C  
-ATOM  27571  N   LYS Q 139      93.781 244.757  59.873  1.00 17.63           N  
-ATOM  27572  CA  LYS Q 139      92.682 245.346  59.072  1.00 17.16           C  
-ATOM  27573  C   LYS Q 139      91.362 244.582  59.338  1.00 17.27           C  
-ATOM  27574  O   LYS Q 139      91.273 243.363  59.121  1.00 17.11           O  
-ATOM  27575  CB  LYS Q 139      93.052 245.332  57.572  1.00 16.13           C  
-ATOM  27576  CG  LYS Q 139      91.906 245.642  56.569  1.00 15.72           C  
-ATOM  27577  CD  LYS Q 139      92.337 245.454  55.069  1.00 14.68           C  
-ATOM  27578  CE  LYS Q 139      91.098 245.433  54.139  1.00 17.52           C  
-ATOM  27579  NZ  LYS Q 139      91.325 244.932  52.746  1.00 17.55           N  
-ATOM  27580  N   ILE Q 140      90.342 245.304  59.801  1.00 16.94           N  
-ATOM  27581  CA  ILE Q 140      89.084 244.668  60.166  1.00 16.90           C  
-ATOM  27582  C   ILE Q 140      87.939 245.324  59.450  1.00 16.38           C  
-ATOM  27583  O   ILE Q 140      87.839 246.565  59.436  1.00 16.20           O  
-ATOM  27584  CB  ILE Q 140      88.835 244.737  61.669  1.00 18.44           C  
-ATOM  27585  CG1 ILE Q 140      89.749 243.773  62.410  1.00 20.08           C  
-ATOM  27586  CG2 ILE Q 140      87.370 244.342  62.005  1.00 18.58           C  
-ATOM  27587  CD1 ILE Q 140      90.297 244.379  63.694  1.00 25.86           C  
-ATOM  27588  N   GLY Q 141      87.059 244.502  58.870  1.00 15.13           N  
-ATOM  27589  CA  GLY Q 141      85.910 245.037  58.183  1.00 14.93           C  
-ATOM  27590  C   GLY Q 141      84.828 244.034  58.047  1.00 14.88           C  
-ATOM  27591  O   GLY Q 141      85.053 242.854  58.344  1.00 14.87           O  
-ATOM  27592  N   SER Q 142      83.645 244.479  57.604  1.00 13.69           N  
-ATOM  27593  CA  SER Q 142      82.586 243.538  57.288  1.00 13.65           C  
-ATOM  27594  C   SER Q 142      83.023 242.666  56.121  1.00 13.52           C  
-ATOM  27595  O   SER Q 142      83.482 243.194  55.105  1.00 13.28           O  
-ATOM  27596  CB  SER Q 142      81.268 244.216  56.933  1.00 12.65           C  
-ATOM  27597  OG  SER Q 142      80.376 243.260  56.412  1.00 12.25           O  
-ATOM  27598  N   TRP Q 143      82.877 241.347  56.268  1.00 12.37           N  
-ATOM  27599  CA  TRP Q 143      83.268 240.406  55.206  1.00 12.13           C  
-ATOM  27600  C   TRP Q 143      82.324 240.459  54.015  1.00 12.19           C  
-ATOM  27601  O   TRP Q 143      82.763 240.329  52.878  1.00 12.15           O  
-ATOM  27602  CB  TRP Q 143      83.354 238.937  55.735  1.00 12.90           C  
-ATOM  27603  CG  TRP Q 143      84.073 238.030  54.762  1.00 11.72           C  
-ATOM  27604  CD1 TRP Q 143      83.546 236.963  54.104  1.00 13.09           C  
-ATOM  27605  CD2 TRP Q 143      85.447 238.114  54.344  1.00 12.06           C  
-ATOM  27606  NE1 TRP Q 143      84.491 236.389  53.295  1.00 12.45           N  
-ATOM  27607  CE2 TRP Q 143      85.669 237.069  53.423  1.00 10.81           C  
-ATOM  27608  CE3 TRP Q 143      86.520 238.979  54.653  1.00 14.86           C  
-ATOM  27609  CZ2 TRP Q 143      86.901 236.865  52.785  1.00 13.67           C  
-ATOM  27610  CZ3 TRP Q 143      87.763 238.769  54.041  1.00 13.97           C  
-ATOM  27611  CH2 TRP Q 143      87.944 237.705  53.112  1.00 12.24           C  
-ATOM  27612  N   THR Q 144      81.015 240.652  54.262  1.00 11.82           N  
-ATOM  27613  CA  THR Q 144      80.055 240.571  53.154  1.00 11.19           C  
-ATOM  27614  C   THR Q 144      79.155 241.772  52.985  1.00 11.39           C  
-ATOM  27615  O   THR Q 144      78.359 241.758  52.063  1.00 11.06           O  
-ATOM  27616  CB  THR Q 144      79.137 239.287  53.233  1.00 11.44           C  
-ATOM  27617  OG1 THR Q 144      78.187 239.423  54.318  1.00  9.83           O  
-ATOM  27618  CG2 THR Q 144      79.964 238.070  53.567  1.00  9.56           C  
-ATOM  27619  N   HIS Q 145      79.258 242.798  53.851  1.00 11.31           N  
-ATOM  27620  CA  HIS Q 145      78.391 243.976  53.687  1.00 11.27           C  
-ATOM  27621  C   HIS Q 145      79.171 245.191  53.208  1.00 11.12           C  
-ATOM  27622  O   HIS Q 145      80.086 245.652  53.853  1.00 11.20           O  
-ATOM  27623  CB  HIS Q 145      77.664 244.333  54.988  1.00 11.50           C  
-ATOM  27624  CG  HIS Q 145      76.447 243.515  55.253  1.00 12.60           C  
-ATOM  27625  ND1 HIS Q 145      76.446 242.464  56.153  1.00 14.12           N  
-ATOM  27626  CD2 HIS Q 145      75.182 243.619  54.790  1.00  9.60           C  
-ATOM  27627  CE1 HIS Q 145      75.240 241.935  56.203  1.00 10.05           C  
-ATOM  27628  NE2 HIS Q 145      74.456 242.613  55.385  1.00 12.25           N  
-ATOM  27629  N   HIS Q 146      78.783 245.724  52.082  1.00 10.88           N  
-ATOM  27630  CA  HIS Q 146      79.482 246.871  51.528  1.00 11.36           C  
-ATOM  27631  C   HIS Q 146      79.084 248.176  52.237  1.00 11.67           C  
-ATOM  27632  O   HIS Q 146      78.230 248.153  53.123  1.00 11.50           O  
-ATOM  27633  CB  HIS Q 146      79.217 246.924  50.048  1.00 10.56           C  
-ATOM  27634  CG  HIS Q 146      77.777 247.142  49.732  1.00 13.00           C  
-ATOM  27635  ND1 HIS Q 146      77.067 246.337  48.874  1.00 12.78           N  
-ATOM  27636  CD2 HIS Q 146      76.897 248.044  50.217  1.00 12.63           C  
-ATOM  27637  CE1 HIS Q 146      75.826 246.776  48.792  1.00 13.80           C  
-ATOM  27638  NE2 HIS Q 146      75.698 247.811  49.600  1.00 15.93           N  
-ATOM  27639  N   SER Q 147      79.687 249.300  51.837  1.00 11.70           N  
-ATOM  27640  CA  SER Q 147      79.570 250.538  52.612  1.00 12.26           C  
-ATOM  27641  C   SER Q 147      78.178 251.115  52.734  1.00 12.09           C  
-ATOM  27642  O   SER Q 147      77.936 251.901  53.650  1.00 12.64           O  
-ATOM  27643  CB  SER Q 147      80.539 251.620  52.127  1.00 12.05           C  
-ATOM  27644  OG  SER Q 147      80.237 251.949  50.791  1.00 14.49           O  
-ATOM  27645  N   ARG Q 148      77.249 250.732  51.863  1.00 12.41           N  
-ATOM  27646  CA  ARG Q 148      75.868 251.209  52.029  1.00 12.67           C  
-ATOM  27647  C   ARG Q 148      75.107 250.418  53.079  1.00 12.57           C  
-ATOM  27648  O   ARG Q 148      74.028 250.805  53.460  1.00 12.88           O  
-ATOM  27649  CB  ARG Q 148      75.095 251.249  50.691  1.00 13.31           C  
-ATOM  27650  CG  ARG Q 148      75.632 252.243  49.639  1.00 13.04           C  
-ATOM  27651  CD  ARG Q 148      74.795 252.341  48.310  1.00 19.35           C  
-ATOM  27652  NE  ARG Q 148      74.845 251.112  47.512  1.00 20.53           N  
-ATOM  27653  CZ  ARG Q 148      73.874 250.193  47.467  1.00 23.84           C  
-ATOM  27654  NH1 ARG Q 148      72.743 250.378  48.142  1.00 22.70           N  
-ATOM  27655  NH2 ARG Q 148      74.026 249.085  46.735  1.00 23.56           N  
-ATOM  27656  N   GLU Q 149      75.686 249.315  53.543  1.00 12.15           N  
-ATOM  27657  CA  GLU Q 149      75.049 248.416  54.506  1.00 12.45           C  
-ATOM  27658  C   GLU Q 149      75.719 248.478  55.876  1.00 12.34           C  
-ATOM  27659  O   GLU Q 149      75.035 248.612  56.889  1.00 11.56           O  
-ATOM  27660  CB  GLU Q 149      75.037 246.988  53.951  1.00 10.51           C  
-ATOM  27661  CG  GLU Q 149      74.281 246.914  52.594  1.00 13.18           C  
-ATOM  27662  CD  GLU Q 149      74.089 245.477  52.065  1.00 14.67           C  
-ATOM  27663  OE1 GLU Q 149      74.772 244.556  52.538  1.00 12.24           O  
-ATOM  27664  OE2 GLU Q 149      73.238 245.249  51.193  1.00 15.51           O  
-ATOM  27665  N   ILE Q 150      77.050 248.385  55.897  1.00 12.48           N  
-ATOM  27666  CA  ILE Q 150      77.790 248.596  57.130  1.00 12.99           C  
-ATOM  27667  C   ILE Q 150      78.901 249.596  56.937  1.00 14.37           C  
-ATOM  27668  O   ILE Q 150      79.665 249.467  55.993  1.00 14.53           O  
-ATOM  27669  CB  ILE Q 150      78.389 247.285  57.659  1.00 11.16           C  
-ATOM  27670  CG1 ILE Q 150      77.288 246.367  58.161  1.00 11.28           C  
-ATOM  27671  CG2 ILE Q 150      79.370 247.607  58.808  1.00  7.80           C  
-ATOM  27672  CD1 ILE Q 150      77.842 244.987  58.758  1.00 12.44           C  
-ATOM  27673  N   SER Q 151      78.988 250.568  57.845  1.00 15.49           N  
-ATOM  27674  CA  SER Q 151      80.175 251.421  57.936  1.00 17.77           C  
-ATOM  27675  C   SER Q 151      80.929 251.075  59.224  1.00 18.97           C  
-ATOM  27676  O   SER Q 151      80.319 250.723  60.225  1.00 18.77           O  
-ATOM  27677  CB  SER Q 151      79.823 252.911  57.858  1.00 17.42           C  
-ATOM  27678  OG  SER Q 151      79.013 253.315  58.947  1.00 17.40           O  
-ATOM  27679  N   VAL Q 152      82.254 251.121  59.169  1.00 20.61           N  
-ATOM  27680  CA  VAL Q 152      83.066 250.864  60.359  1.00 22.93           C  
-ATOM  27681  C   VAL Q 152      83.902 252.090  60.685  1.00 24.69           C  
-ATOM  27682  O   VAL Q 152      84.510 252.673  59.797  1.00 24.64           O  
-ATOM  27683  CB  VAL Q 152      83.990 249.612  60.255  1.00 22.79           C  
-ATOM  27684  CG1 VAL Q 152      83.176 248.320  60.393  1.00 22.59           C  
-ATOM  27685  CG2 VAL Q 152      84.791 249.618  58.974  1.00 23.81           C  
-ATOM  27686  N   ASP Q 153      83.873 252.503  61.950  1.00 27.04           N  
-ATOM  27687  CA  ASP Q 153      84.673 253.626  62.452  1.00 29.78           C  
-ATOM  27688  C   ASP Q 153      85.375 253.182  63.750  1.00 30.50           C  
-ATOM  27689  O   ASP Q 153      84.874 252.326  64.447  1.00 28.73           O  
-ATOM  27690  CB  ASP Q 153      83.820 254.856  62.789  1.00 29.69           C  
-ATOM  27691  CG  ASP Q 153      82.685 255.090  61.819  1.00 34.62           C  
-ATOM  27692  OD1 ASP Q 153      81.608 254.441  61.969  1.00 41.42           O  
-ATOM  27693  OD2 ASP Q 153      82.743 255.941  60.903  1.00 37.34           O  
-ATOM  27694  N   PRO Q 154      86.499 253.816  64.091  1.00 32.28           N  
-ATOM  27695  CA  PRO Q 154      87.090 253.650  65.426  1.00 33.88           C  
-ATOM  27696  C   PRO Q 154      86.123 254.150  66.503  1.00 35.80           C  
-ATOM  27697  O   PRO Q 154      85.377 255.095  66.239  1.00 37.01           O  
-ATOM  27698  CB  PRO Q 154      88.325 254.556  65.396  1.00 33.63           C  
-ATOM  27699  CG  PRO Q 154      88.561 254.881  63.966  1.00 33.73           C  
-ATOM  27700  CD  PRO Q 154      87.260 254.743  63.239  1.00 32.08           C  
-ATOM  27701  N   THR Q 155      86.121 253.525  67.682  1.00 38.19           N  
-ATOM  27702  CA  THR Q 155      85.410 254.055  68.861  1.00 39.98           C  
-ATOM  27703  C   THR Q 155      85.827 255.501  69.156  1.00 41.40           C  
-ATOM  27704  O   THR Q 155      87.015 255.786  69.348  1.00 41.44           O  
-ATOM  27705  CB  THR Q 155      85.678 253.164  70.101  1.00 39.95           C  
-ATOM  27706  OG1 THR Q 155      85.245 251.822  69.829  1.00 38.63           O  
-ATOM  27707  CG2 THR Q 155      84.825 253.611  71.325  1.00 39.58           C  
-ATOM  27708  N   THR Q 156      84.849 256.404  69.206  1.00 43.63           N  
-ATOM  27709  CA  THR Q 156      85.158 257.840  69.317  1.00 45.62           C  
-ATOM  27710  C   THR Q 156      86.228 258.204  70.364  1.00 46.86           C  
-ATOM  27711  O   THR Q 156      87.257 258.786  70.007  1.00 47.29           O  
-ATOM  27712  CB  THR Q 156      83.867 258.745  69.409  1.00 45.69           C  
-ATOM  27713  OG1 THR Q 156      84.156 260.049  68.877  1.00 45.90           O  
-ATOM  27714  CG2 THR Q 156      83.435 259.059  70.865  1.00 45.95           C  
-ATOM  27715  N   GLU Q 157      86.017 257.808  71.622  1.00 48.26           N  
-ATOM  27716  CA  GLU Q 157      86.704 258.451  72.753  1.00 49.58           C  
-ATOM  27717  C   GLU Q 157      88.219 258.319  72.713  1.00 50.09           C  
-ATOM  27718  O   GLU Q 157      88.767 257.475  71.994  1.00 50.61           O  
-ATOM  27719  CB  GLU Q 157      86.143 257.984  74.110  1.00 49.56           C  
-ATOM  27720  CG  GLU Q 157      85.159 258.956  74.755  1.00 50.72           C  
-ATOM  27721  CD  GLU Q 157      84.002 258.257  75.468  1.00 52.77           C  
-ATOM  27722  OE1 GLU Q 157      83.071 257.755  74.782  1.00 51.77           O  
-ATOM  27723  OE2 GLU Q 157      84.014 258.221  76.723  1.00 53.20           O  
-ATOM  27724  N   ASN Q 158      88.871 259.176  73.490  1.00 50.69           N  
-ATOM  27725  CA  ASN Q 158      90.323 259.207  73.644  1.00 51.31           C  
-ATOM  27726  C   ASN Q 158      90.917 257.886  74.180  1.00 51.40           C  
-ATOM  27727  O   ASN Q 158      91.435 257.840  75.302  1.00 51.43           O  
-ATOM  27728  CB  ASN Q 158      90.755 260.420  74.519  1.00 51.57           C  
-ATOM  27729  CG  ASN Q 158      89.587 261.054  75.330  1.00 52.35           C  
-ATOM  27730  OD1 ASN Q 158      89.227 262.219  75.113  1.00 53.52           O  
-ATOM  27731  ND2 ASN Q 158      89.037 260.304  76.290  1.00 51.93           N  
-ATOM  27732  N   SER Q 159      90.849 256.828  73.357  1.00 51.63           N  
-ATOM  27733  CA  SER Q 159      91.228 255.448  73.739  1.00 51.38           C  
-ATOM  27734  C   SER Q 159      92.708 255.266  74.143  1.00 51.31           C  
-ATOM  27735  O   SER Q 159      93.593 255.236  73.282  1.00 51.45           O  
-ATOM  27736  CB  SER Q 159      90.870 254.454  72.612  1.00 51.59           C  
-ATOM  27737  OG  SER Q 159      89.528 254.602  72.165  1.00 50.86           O  
-ATOM  27738  N   ASP Q 160      92.952 255.137  75.453  1.00 51.01           N  
-ATOM  27739  CA  ASP Q 160      94.295 254.913  76.028  1.00 50.22           C  
-ATOM  27740  C   ASP Q 160      95.006 253.688  75.408  1.00 49.49           C  
-ATOM  27741  O   ASP Q 160      94.341 252.679  75.034  1.00 49.64           O  
-ATOM  27742  CB  ASP Q 160      94.185 254.784  77.561  1.00 50.43           C  
-ATOM  27743  CG  ASP Q 160      95.549 254.824  78.282  1.00 51.38           C  
-ATOM  27744  OD1 ASP Q 160      96.605 254.721  77.613  1.00 51.93           O  
-ATOM  27745  OD2 ASP Q 160      95.656 254.946  79.534  1.00 50.58           O  
-ATOM  27746  N   ASP Q 161      96.341 253.790  75.313  1.00 47.75           N  
-ATOM  27747  CA  ASP Q 161      97.189 252.882  74.506  1.00 46.44           C  
-ATOM  27748  C   ASP Q 161      97.195 251.394  74.990  1.00 45.19           C  
-ATOM  27749  O   ASP Q 161      96.260 250.626  74.731  1.00 45.17           O  
-ATOM  27750  CB  ASP Q 161      98.653 253.415  74.333  1.00 46.41           C  
-ATOM  27751  CG  ASP Q 161      98.812 254.976  74.513  1.00 47.34           C  
-ATOM  27752  OD1 ASP Q 161      98.103 255.624  75.319  1.00 46.87           O  
-ATOM  27753  OD2 ASP Q 161      99.689 255.638  73.899  1.00 46.08           O  
-ATOM  27754  N   SER Q 162      98.262 250.994  75.677  1.00 43.51           N  
-ATOM  27755  CA  SER Q 162      98.290 249.717  76.410  1.00 41.54           C  
-ATOM  27756  C   SER Q 162      97.458 249.781  77.703  1.00 39.92           C  
-ATOM  27757  O   SER Q 162      97.940 249.398  78.773  1.00 40.20           O  
-ATOM  27758  CB  SER Q 162      99.752 249.355  76.759  1.00 41.63           C  
-ATOM  27759  OG  SER Q 162     100.311 250.227  77.741  1.00 39.73           O  
-ATOM  27760  N   GLU Q 163      96.227 250.279  77.622  1.00 37.83           N  
-ATOM  27761  CA  GLU Q 163      95.435 250.584  78.841  1.00 35.29           C  
-ATOM  27762  C   GLU Q 163      95.253 249.370  79.801  1.00 33.20           C  
-ATOM  27763  O   GLU Q 163      95.435 249.487  81.026  1.00 31.93           O  
-ATOM  27764  CB  GLU Q 163      94.072 251.169  78.444  1.00 35.87           C  
-ATOM  27765  CG  GLU Q 163      93.469 252.153  79.431  1.00 35.97           C  
-ATOM  27766  CD  GLU Q 163      91.960 252.330  79.235  1.00 36.75           C  
-ATOM  27767  OE1 GLU Q 163      91.431 252.010  78.132  1.00 33.98           O  
-ATOM  27768  OE2 GLU Q 163      91.302 252.793  80.200  1.00 35.55           O  
-ATOM  27769  N   TYR Q 164      94.883 248.216  79.236  1.00 29.99           N  
-ATOM  27770  CA  TYR Q 164      94.840 246.981  80.027  1.00 27.56           C  
-ATOM  27771  C   TYR Q 164      95.886 245.950  79.571  1.00 24.45           C  
-ATOM  27772  O   TYR Q 164      95.766 244.782  79.883  1.00 23.42           O  
-ATOM  27773  CB  TYR Q 164      93.413 246.372  80.087  1.00 28.04           C  
-ATOM  27774  CG  TYR Q 164      92.286 247.388  80.011  1.00 29.39           C  
-ATOM  27775  CD1 TYR Q 164      91.900 248.133  81.138  1.00 31.30           C  
-ATOM  27776  CD2 TYR Q 164      91.615 247.611  78.803  1.00 31.79           C  
-ATOM  27777  CE1 TYR Q 164      90.878 249.088  81.057  1.00 32.23           C  
-ATOM  27778  CE2 TYR Q 164      90.583 248.535  78.709  1.00 33.93           C  
-ATOM  27779  CZ  TYR Q 164      90.223 249.279  79.838  1.00 34.22           C  
-ATOM  27780  OH  TYR Q 164      89.203 250.191  79.724  1.00 34.32           O  
-ATOM  27781  N   PHE Q 165      96.923 246.395  78.872  1.00 21.70           N  
-ATOM  27782  CA  PHE Q 165      97.982 245.492  78.409  1.00 20.06           C  
-ATOM  27783  C   PHE Q 165      98.726 244.869  79.581  1.00 19.05           C  
-ATOM  27784  O   PHE Q 165      99.013 245.536  80.555  1.00 18.67           O  
-ATOM  27785  CB  PHE Q 165      98.931 246.216  77.470  1.00 19.48           C  
-ATOM  27786  CG  PHE Q 165      99.860 245.317  76.735  1.00 18.70           C  
-ATOM  27787  CD1 PHE Q 165      99.399 244.533  75.673  1.00 17.56           C  
-ATOM  27788  CD2 PHE Q 165     101.221 245.257  77.088  1.00 17.41           C  
-ATOM  27789  CE1 PHE Q 165     100.274 243.683  74.976  1.00 17.93           C  
-ATOM  27790  CE2 PHE Q 165     102.096 244.407  76.414  1.00 17.39           C  
-ATOM  27791  CZ  PHE Q 165     101.627 243.616  75.360  1.00 17.28           C  
-ATOM  27792  N   SER Q 166      99.019 243.578  79.491  1.00 18.22           N  
-ATOM  27793  CA  SER Q 166      99.690 242.874  80.589  1.00 17.55           C  
-ATOM  27794  C   SER Q 166     101.074 243.436  80.902  1.00 16.98           C  
-ATOM  27795  O   SER Q 166     101.895 243.591  80.010  1.00 15.83           O  
-ATOM  27796  CB  SER Q 166      99.796 241.390  80.265  1.00 17.24           C  
-ATOM  27797  OG  SER Q 166     100.452 240.711  81.316  1.00 17.31           O  
-ATOM  27798  N   GLN Q 167     101.321 243.712  82.179  1.00 17.21           N  
-ATOM  27799  CA  GLN Q 167     102.633 244.124  82.678  1.00 17.61           C  
-ATOM  27800  C   GLN Q 167     103.647 242.977  82.691  1.00 17.52           C  
-ATOM  27801  O   GLN Q 167     104.833 243.199  82.918  1.00 17.06           O  
-ATOM  27802  CB  GLN Q 167     102.504 244.715  84.078  1.00 18.07           C  
-ATOM  27803  CG  GLN Q 167     102.175 243.689  85.162  1.00 19.81           C  
-ATOM  27804  CD  GLN Q 167     101.950 244.319  86.541  1.00 22.53           C  
-ATOM  27805  OE1 GLN Q 167     102.903 244.765  87.199  1.00 22.65           O  
-ATOM  27806  NE2 GLN Q 167     100.693 244.347  86.982  1.00 22.04           N  
-ATOM  27807  N   TYR Q 168     103.181 241.761  82.410  1.00 17.66           N  
-ATOM  27808  CA  TYR Q 168     104.043 240.572  82.454  1.00 17.48           C  
-ATOM  27809  C   TYR Q 168     104.449 240.109  81.058  1.00 17.15           C  
-ATOM  27810  O   TYR Q 168     105.323 239.268  80.891  1.00 17.53           O  
-ATOM  27811  CB  TYR Q 168     103.366 239.458  83.259  1.00 17.49           C  
-ATOM  27812  CG  TYR Q 168     103.038 239.903  84.663  1.00 17.29           C  
-ATOM  27813  CD1 TYR Q 168     104.049 240.321  85.528  1.00 17.11           C  
-ATOM  27814  CD2 TYR Q 168     101.715 239.934  85.118  1.00 17.18           C  
-ATOM  27815  CE1 TYR Q 168     103.753 240.738  86.816  1.00 17.99           C  
-ATOM  27816  CE2 TYR Q 168     101.409 240.343  86.376  1.00 16.76           C  
-ATOM  27817  CZ  TYR Q 168     102.428 240.740  87.237  1.00 17.82           C  
-ATOM  27818  OH  TYR Q 168     102.100 241.150  88.507  1.00 19.09           O  
-ATOM  27819  N   SER Q 169     103.830 240.681  80.052  1.00 16.33           N  
-ATOM  27820  CA  SER Q 169     104.300 240.495  78.690  1.00 16.11           C  
-ATOM  27821  C   SER Q 169     105.800 240.790  78.510  1.00 16.31           C  
-ATOM  27822  O   SER Q 169     106.402 241.589  79.250  1.00 15.56           O  
-ATOM  27823  CB  SER Q 169     103.512 241.369  77.747  1.00 15.77           C  
-ATOM  27824  OG  SER Q 169     103.838 241.030  76.409  1.00 16.03           O  
-ATOM  27825  N   ARG Q 170     106.389 240.130  77.519  1.00 16.45           N  
-ATOM  27826  CA  ARG Q 170     107.782 240.342  77.151  1.00 16.72           C  
-ATOM  27827  C   ARG Q 170     107.867 241.625  76.304  1.00 16.02           C  
-ATOM  27828  O   ARG Q 170     108.947 242.102  76.000  1.00 15.29           O  
-ATOM  27829  CB  ARG Q 170     108.241 239.179  76.266  1.00 17.29           C  
-ATOM  27830  CG  ARG Q 170     109.153 238.195  76.898  1.00 20.28           C  
-ATOM  27831  CD  ARG Q 170     109.556 237.062  75.945  1.00 23.96           C  
-ATOM  27832  NE  ARG Q 170     108.406 236.560  75.198  1.00 26.38           N  
-ATOM  27833  CZ  ARG Q 170     108.485 235.832  74.077  1.00 27.53           C  
-ATOM  27834  NH1 ARG Q 170     109.679 235.508  73.572  1.00 25.28           N  
-ATOM  27835  NH2 ARG Q 170     107.363 235.434  73.466  1.00 25.02           N  
-ATOM  27836  N   PHE Q 171     106.708 242.144  75.890  1.00 14.80           N  
-ATOM  27837  CA  PHE Q 171     106.655 243.260  74.968  1.00 14.15           C  
-ATOM  27838  C   PHE Q 171     105.992 244.397  75.668  1.00 14.26           C  
-ATOM  27839  O   PHE Q 171     105.354 244.212  76.709  1.00 13.25           O  
-ATOM  27840  CB  PHE Q 171     105.917 242.876  73.671  1.00 13.79           C  
-ATOM  27841  CG  PHE Q 171     106.425 241.593  73.069  1.00 14.40           C  
-ATOM  27842  CD1 PHE Q 171     107.498 241.612  72.173  1.00 13.84           C  
-ATOM  27843  CD2 PHE Q 171     105.889 240.357  73.462  1.00 12.28           C  
-ATOM  27844  CE1 PHE Q 171     108.009 240.420  71.633  1.00 13.38           C  
-ATOM  27845  CE2 PHE Q 171     106.408 239.147  72.933  1.00 11.81           C  
-ATOM  27846  CZ  PHE Q 171     107.471 239.183  72.030  1.00 12.90           C  
-ATOM  27847  N   GLU Q 172     106.196 245.583  75.113  1.00 15.73           N  
-ATOM  27848  CA  GLU Q 172     105.490 246.778  75.558  1.00 17.02           C  
-ATOM  27849  C   GLU Q 172     104.915 247.486  74.345  1.00 17.21           C  
-ATOM  27850  O   GLU Q 172     105.465 247.394  73.243  1.00 17.48           O  
-ATOM  27851  CB  GLU Q 172     106.417 247.704  76.334  1.00 17.09           C  
-ATOM  27852  CG  GLU Q 172     107.691 248.096  75.594  1.00 19.09           C  
-ATOM  27853  CD  GLU Q 172     108.616 248.972  76.445  1.00 22.48           C  
-ATOM  27854  OE1 GLU Q 172     108.146 249.494  77.477  1.00 24.80           O  
-ATOM  27855  OE2 GLU Q 172     109.809 249.121  76.096  1.00 22.87           O  
-ATOM  27856  N   ILE Q 173     103.818 248.191  74.553  1.00 17.40           N  
-ATOM  27857  CA  ILE Q 173     103.144 248.900  73.473  1.00 18.10           C  
-ATOM  27858  C   ILE Q 173     103.545 250.375  73.503  1.00 18.42           C  
-ATOM  27859  O   ILE Q 173     103.438 251.038  74.525  1.00 18.07           O  
-ATOM  27860  CB  ILE Q 173     101.614 248.749  73.616  1.00 18.15           C  
-ATOM  27861  CG1 ILE Q 173     101.212 247.299  73.368  1.00 18.54           C  
-ATOM  27862  CG2 ILE Q 173     100.845 249.716  72.679  1.00 18.13           C  
-ATOM  27863  CD1 ILE Q 173      99.732 247.050  73.612  1.00 20.56           C  
-ATOM  27864  N   LEU Q 174     104.022 250.860  72.370  1.00 18.82           N  
-ATOM  27865  CA  LEU Q 174     104.486 252.236  72.259  1.00 19.33           C  
-ATOM  27866  C   LEU Q 174     103.331 253.130  71.842  1.00 19.81           C  
-ATOM  27867  O   LEU Q 174     103.208 254.261  72.341  1.00 19.81           O  
-ATOM  27868  CB  LEU Q 174     105.663 252.350  71.297  1.00 18.91           C  
-ATOM  27869  CG  LEU Q 174     106.866 251.463  71.624  1.00 19.35           C  
-ATOM  27870  CD1 LEU Q 174     107.887 251.471  70.497  1.00 19.36           C  
-ATOM  27871  CD2 LEU Q 174     107.507 251.874  72.941  1.00 19.00           C  
-ATOM  27872  N   ASP Q 175     102.472 252.614  70.968  1.00 20.02           N  
-ATOM  27873  CA  ASP Q 175     101.397 253.387  70.370  1.00 21.06           C  
-ATOM  27874  C   ASP Q 175     100.399 252.495  69.647  1.00 21.08           C  
-ATOM  27875  O   ASP Q 175     100.757 251.454  69.083  1.00 20.81           O  
-ATOM  27876  CB  ASP Q 175     101.977 254.423  69.382  1.00 21.85           C  
-ATOM  27877  CG  ASP Q 175     101.191 255.736  69.357  1.00 24.27           C  
-ATOM  27878  OD1 ASP Q 175     100.030 255.771  69.834  1.00 26.28           O  
-ATOM  27879  OD2 ASP Q 175     101.656 256.790  68.848  1.00 27.96           O  
-ATOM  27880  N   VAL Q 176      99.133 252.902  69.685  1.00 21.61           N  
-ATOM  27881  CA  VAL Q 176      98.074 252.315  68.870  1.00 21.88           C  
-ATOM  27882  C   VAL Q 176      97.351 253.437  68.122  1.00 22.84           C  
-ATOM  27883  O   VAL Q 176      96.884 254.388  68.735  1.00 23.00           O  
-ATOM  27884  CB  VAL Q 176      97.069 251.537  69.719  1.00 21.99           C  
-ATOM  27885  CG1 VAL Q 176      96.045 250.836  68.832  1.00 21.23           C  
-ATOM  27886  CG2 VAL Q 176      97.773 250.521  70.630  1.00 21.17           C  
-ATOM  27887  N   THR Q 177      97.299 253.354  66.787  1.00 23.58           N  
-ATOM  27888  CA  THR Q 177      96.540 254.321  65.991  1.00 24.07           C  
-ATOM  27889  C   THR Q 177      95.573 253.556  65.086  1.00 24.23           C  
-ATOM  27890  O   THR Q 177      95.811 252.408  64.743  1.00 23.66           O  
-ATOM  27891  CB  THR Q 177      97.443 255.252  65.136  1.00 23.96           C  
-ATOM  27892  OG1 THR Q 177      98.364 254.469  64.377  1.00 25.22           O  
-ATOM  27893  CG2 THR Q 177      98.363 256.118  66.004  1.00 24.79           C  
-ATOM  27894  N   GLN Q 178      94.484 254.202  64.700  1.00 24.88           N  
-ATOM  27895  CA  GLN Q 178      93.622 253.603  63.713  1.00 26.63           C  
-ATOM  27896  C   GLN Q 178      93.146 254.572  62.642  1.00 26.96           C  
-ATOM  27897  O   GLN Q 178      92.824 255.730  62.922  1.00 27.50           O  
-ATOM  27898  CB  GLN Q 178      92.447 252.862  64.361  1.00 27.13           C  
-ATOM  27899  CG  GLN Q 178      91.719 253.652  65.369  1.00 29.39           C  
-ATOM  27900  CD  GLN Q 178      91.404 252.839  66.587  1.00 34.61           C  
-ATOM  27901  OE1 GLN Q 178      90.297 252.211  66.699  1.00 37.00           O  
-ATOM  27902  NE2 GLN Q 178      92.358 252.831  67.534  1.00 34.16           N  
-ATOM  27903  N   LYS Q 179      93.109 254.057  61.418  1.00 26.32           N  
-ATOM  27904  CA  LYS Q 179      92.759 254.800  60.238  1.00 26.21           C  
-ATOM  27905  C   LYS Q 179      91.645 254.013  59.510  1.00 26.18           C  
-ATOM  27906  O   LYS Q 179      91.536 252.759  59.579  1.00 25.97           O  
-ATOM  27907  CB  LYS Q 179      94.031 255.021  59.403  1.00 26.53           C  
-ATOM  27908  CG  LYS Q 179      93.934 254.981  57.894  1.00 28.76           C  
-ATOM  27909  CD  LYS Q 179      95.006 255.906  57.256  1.00 32.50           C  
-ATOM  27910  CE  LYS Q 179      94.418 256.886  56.198  1.00 32.24           C  
-ATOM  27911  NZ  LYS Q 179      94.419 258.303  56.689  1.00 31.94           N  
-ATOM  27912  N   LYS Q 180      90.789 254.744  58.828  1.00 24.48           N  
-ATOM  27913  CA  LYS Q 180      89.718 254.064  58.156  1.00 23.45           C  
-ATOM  27914  C   LYS Q 180      89.833 254.178  56.625  1.00 22.43           C  
-ATOM  27915  O   LYS Q 180      90.378 255.160  56.102  1.00 22.38           O  
-ATOM  27916  CB  LYS Q 180      88.354 254.396  58.795  1.00 23.47           C  
-ATOM  27917  CG  LYS Q 180      87.706 255.697  58.421  1.00 24.20           C  
-ATOM  27918  CD  LYS Q 180      86.239 255.675  58.881  1.00 26.81           C  
-ATOM  27919  CE  LYS Q 180      85.289 255.290  57.730  1.00 25.93           C  
-ATOM  27920  NZ  LYS Q 180      83.859 255.185  58.172  1.00 25.16           N  
-ATOM  27921  N   ASN Q 181      89.401 253.131  55.926  1.00 20.56           N  
-ATOM  27922  CA  ASN Q 181      89.572 253.040  54.479  1.00 19.95           C  
-ATOM  27923  C   ASN Q 181      88.290 252.582  53.806  1.00 19.50           C  
-ATOM  27924  O   ASN Q 181      87.364 252.059  54.476  1.00 17.44           O  
-ATOM  27925  CB  ASN Q 181      90.721 252.077  54.128  1.00 19.00           C  
-ATOM  27926  CG  ASN Q 181      91.972 252.397  54.888  1.00 21.05           C  
-ATOM  27927  OD1 ASN Q 181      92.575 253.470  54.681  1.00 22.11           O  
-ATOM  27928  ND2 ASN Q 181      92.346 251.520  55.841  1.00 20.71           N  
-ATOM  27929  N   SER Q 182      88.238 252.819  52.491  1.00 18.88           N  
-ATOM  27930  CA  SER Q 182      87.184 252.279  51.650  1.00 19.03           C  
-ATOM  27931  C   SER Q 182      87.840 251.482  50.530  1.00 18.98           C  
-ATOM  27932  O   SER Q 182      88.673 251.997  49.820  1.00 17.94           O  
-ATOM  27933  CB  SER Q 182      86.341 253.407  51.071  1.00 18.83           C  
-ATOM  27934  OG  SER Q 182      85.119 253.521  51.774  1.00 20.71           O  
-ATOM  27935  N   VAL Q 183      87.514 250.200  50.404  1.00 19.50           N  
-ATOM  27936  CA  VAL Q 183      88.189 249.393  49.379  1.00 19.92           C  
-ATOM  27937  C   VAL Q 183      87.257 248.596  48.452  1.00 19.31           C  
-ATOM  27938  O   VAL Q 183      86.294 247.963  48.888  1.00 18.53           O  
-ATOM  27939  CB  VAL Q 183      89.230 248.452  49.974  1.00 20.65           C  
-ATOM  27940  CG1 VAL Q 183      90.148 247.935  48.838  1.00 21.25           C  
-ATOM  27941  CG2 VAL Q 183      90.065 249.145  51.112  1.00 21.47           C  
-ATOM  27942  N   THR Q 184      87.556 248.631  47.168  1.00 18.61           N  
-ATOM  27943  CA  THR Q 184      86.819 247.841  46.193  1.00 18.82           C  
-ATOM  27944  C   THR Q 184      87.625 246.599  45.815  1.00 18.31           C  
-ATOM  27945  O   THR Q 184      88.798 246.696  45.474  1.00 17.86           O  
-ATOM  27946  CB  THR Q 184      86.551 248.677  44.936  1.00 18.56           C  
-ATOM  27947  OG1 THR Q 184      85.777 249.840  45.276  1.00 18.06           O  
-ATOM  27948  CG2 THR Q 184      85.647 247.888  43.966  1.00 19.41           C  
-ATOM  27949  N   TYR Q 185      86.992 245.440  45.868  1.00 18.14           N  
-ATOM  27950  CA  TYR Q 185      87.666 244.184  45.524  1.00 18.94           C  
-ATOM  27951  C   TYR Q 185      87.236 243.720  44.161  1.00 19.24           C  
-ATOM  27952  O   TYR Q 185      86.117 244.001  43.723  1.00 19.12           O  
-ATOM  27953  CB  TYR Q 185      87.411 243.085  46.586  1.00 17.92           C  
-ATOM  27954  CG  TYR Q 185      87.838 243.547  47.956  1.00 17.89           C  
-ATOM  27955  CD1 TYR Q 185      87.053 244.438  48.695  1.00 17.80           C  
-ATOM  27956  CD2 TYR Q 185      89.032 243.146  48.497  1.00 16.59           C  
-ATOM  27957  CE1 TYR Q 185      87.448 244.893  49.914  1.00 15.43           C  
-ATOM  27958  CE2 TYR Q 185      89.422 243.587  49.730  1.00 17.15           C  
-ATOM  27959  CZ  TYR Q 185      88.636 244.473  50.430  1.00 17.43           C  
-ATOM  27960  OH  TYR Q 185      89.050 244.927  51.674  1.00 17.56           O  
-ATOM  27961  N   SER Q 186      88.105 242.947  43.527  1.00 20.53           N  
-ATOM  27962  CA  SER Q 186      87.876 242.488  42.167  1.00 22.23           C  
-ATOM  27963  C   SER Q 186      86.655 241.604  42.028  1.00 22.50           C  
-ATOM  27964  O   SER Q 186      86.095 241.512  40.953  1.00 22.79           O  
-ATOM  27965  CB  SER Q 186      89.111 241.783  41.621  1.00 22.34           C  
-ATOM  27966  OG  SER Q 186      89.927 242.742  40.963  1.00 24.24           O  
-ATOM  27967  N   CYS Q 187      86.266 240.966  43.128  1.00 23.10           N  
-ATOM  27968  CA  CYS Q 187      85.115 240.092  43.196  1.00 23.87           C  
-ATOM  27969  C   CYS Q 187      83.782 240.794  43.016  1.00 23.68           C  
-ATOM  27970  O   CYS Q 187      82.838 240.189  42.517  1.00 23.28           O  
-ATOM  27971  CB  CYS Q 187      85.074 239.413  44.569  1.00 23.90           C  
-ATOM  27972  SG  CYS Q 187      84.510 240.507  45.909  1.00 25.68           S  
-ATOM  27973  N   CYS Q 188      83.707 242.042  43.477  1.00 23.66           N  
-ATOM  27974  CA  CYS Q 188      82.424 242.741  43.676  1.00 24.33           C  
-ATOM  27975  C   CYS Q 188      82.495 244.227  43.248  1.00 23.29           C  
-ATOM  27976  O   CYS Q 188      83.566 244.817  43.331  1.00 22.87           O  
-ATOM  27977  CB  CYS Q 188      82.023 242.618  45.151  1.00 24.02           C  
-ATOM  27978  SG  CYS Q 188      82.471 241.010  45.928  1.00 28.45           S  
-ATOM  27979  N   PRO Q 189      81.386 244.837  42.811  1.00 22.70           N  
-ATOM  27980  CA  PRO Q 189      81.445 246.216  42.279  1.00 22.27           C  
-ATOM  27981  C   PRO Q 189      81.468 247.319  43.359  1.00 21.93           C  
-ATOM  27982  O   PRO Q 189      81.913 248.429  43.041  1.00 21.99           O  
-ATOM  27983  CB  PRO Q 189      80.190 246.331  41.388  1.00 21.91           C  
-ATOM  27984  CG  PRO Q 189      79.263 245.190  41.795  1.00 23.20           C  
-ATOM  27985  CD  PRO Q 189      80.011 244.302  42.803  1.00 23.04           C  
-ATOM  27986  N   GLU Q 190      81.058 247.006  44.595  1.00 21.08           N  
-ATOM  27987  CA  GLU Q 190      80.899 248.009  45.662  1.00 20.91           C  
-ATOM  27988  C   GLU Q 190      82.085 248.090  46.615  1.00 20.08           C  
-ATOM  27989  O   GLU Q 190      82.803 247.103  46.814  1.00 20.80           O  
-ATOM  27990  CB  GLU Q 190      79.627 247.742  46.485  1.00 21.17           C  
-ATOM  27991  CG  GLU Q 190      78.304 247.942  45.741  1.00 24.50           C  
-ATOM  27992  CD  GLU Q 190      77.860 249.412  45.665  1.00 29.81           C  
-ATOM  27993  OE1 GLU Q 190      77.421 249.981  46.711  1.00 28.49           O  
-ATOM  27994  OE2 GLU Q 190      77.936 250.005  44.542  1.00 32.17           O  
-ATOM  27995  N   ALA Q 191      82.248 249.253  47.248  1.00 17.99           N  
-ATOM  27996  CA  ALA Q 191      83.301 249.491  48.238  1.00 16.69           C  
-ATOM  27997  C   ALA Q 191      82.919 248.941  49.594  1.00 15.91           C  
-ATOM  27998  O   ALA Q 191      81.778 249.107  50.011  1.00 15.28           O  
-ATOM  27999  CB  ALA Q 191      83.566 250.969  48.342  1.00 16.59           C  
-ATOM  28000  N   TYR Q 192      83.892 248.335  50.274  1.00 15.74           N  
-ATOM  28001  CA  TYR Q 192      83.780 247.793  51.620  1.00 16.18           C  
-ATOM  28002  C   TYR Q 192      84.649 248.602  52.577  1.00 17.05           C  
-ATOM  28003  O   TYR Q 192      85.809 248.892  52.261  1.00 17.23           O  
-ATOM  28004  CB  TYR Q 192      84.265 246.338  51.622  1.00 15.58           C  
-ATOM  28005  CG  TYR Q 192      83.338 245.457  50.843  1.00 15.88           C  
-ATOM  28006  CD1 TYR Q 192      83.435 245.394  49.446  1.00 15.89           C  
-ATOM  28007  CD2 TYR Q 192      82.325 244.722  51.489  1.00 14.99           C  
-ATOM  28008  CE1 TYR Q 192      82.553 244.599  48.698  1.00 16.64           C  
-ATOM  28009  CE2 TYR Q 192      81.439 243.932  50.750  1.00 15.65           C  
-ATOM  28010  CZ  TYR Q 192      81.551 243.886  49.359  1.00 16.40           C  
-ATOM  28011  OH  TYR Q 192      80.676 243.116  48.606  1.00 17.80           O  
-ATOM  28012  N   GLU Q 193      84.114 248.936  53.752  1.00 17.24           N  
-ATOM  28013  CA  GLU Q 193      84.874 249.743  54.707  1.00 18.00           C  
-ATOM  28014  C   GLU Q 193      85.652 248.860  55.662  1.00 18.69           C  
-ATOM  28015  O   GLU Q 193      85.195 247.762  56.027  1.00 17.98           O  
-ATOM  28016  CB  GLU Q 193      83.963 250.697  55.488  1.00 17.91           C  
-ATOM  28017  CG  GLU Q 193      83.271 251.726  54.606  1.00 18.07           C  
-ATOM  28018  CD  GLU Q 193      82.547 252.831  55.393  1.00 19.85           C  
-ATOM  28019  OE1 GLU Q 193      82.712 252.936  56.638  1.00 20.26           O  
-ATOM  28020  OE2 GLU Q 193      81.804 253.612  54.771  1.00 21.27           O  
-ATOM  28021  N   ASP Q 194      86.821 249.358  56.068  1.00 19.32           N  
-ATOM  28022  CA  ASP Q 194      87.623 248.689  57.069  1.00 20.11           C  
-ATOM  28023  C   ASP Q 194      88.248 249.685  58.027  1.00 20.09           C  
-ATOM  28024  O   ASP Q 194      88.377 250.892  57.725  1.00 18.87           O  
-ATOM  28025  CB  ASP Q 194      88.680 247.813  56.418  1.00 20.68           C  
-ATOM  28026  CG  ASP Q 194      89.769 248.611  55.722  1.00 24.60           C  
-ATOM  28027  OD1 ASP Q 194      90.579 249.303  56.411  1.00 27.67           O  
-ATOM  28028  OD2 ASP Q 194      89.926 248.576  54.475  1.00 29.05           O  
-ATOM  28029  N   VAL Q 195      88.622 249.169  59.202  1.00 19.51           N  
-ATOM  28030  CA  VAL Q 195      89.503 249.897  60.076  1.00 19.66           C  
-ATOM  28031  C   VAL Q 195      90.873 249.219  60.090  1.00 19.36           C  
-ATOM  28032  O   VAL Q 195      90.971 248.007  60.311  1.00 18.86           O  
-ATOM  28033  CB  VAL Q 195      88.925 250.057  61.509  1.00 20.00           C  
-ATOM  28034  CG1 VAL Q 195      89.989 250.706  62.419  1.00 21.12           C  
-ATOM  28035  CG2 VAL Q 195      87.652 250.931  61.473  1.00 20.64           C  
-ATOM  28036  N   GLU Q 196      91.925 250.002  59.846  1.00 18.75           N  
-ATOM  28037  CA  GLU Q 196      93.287 249.534  60.082  1.00 19.02           C  
-ATOM  28038  C   GLU Q 196      93.781 249.947  61.470  1.00 18.66           C  
-ATOM  28039  O   GLU Q 196      93.814 251.135  61.822  1.00 18.63           O  
-ATOM  28040  CB  GLU Q 196      94.233 250.011  58.980  1.00 19.27           C  
-ATOM  28041  CG  GLU Q 196      94.128 249.128  57.742  1.00 23.49           C  
-ATOM  28042  CD  GLU Q 196      94.834 249.644  56.488  1.00 27.72           C  
-ATOM  28043  OE1 GLU Q 196      95.454 250.731  56.485  1.00 28.54           O  
-ATOM  28044  OE2 GLU Q 196      94.762 248.919  55.470  1.00 28.66           O  
-ATOM  28045  N   VAL Q 197      94.127 248.962  62.281  1.00 18.03           N  
-ATOM  28046  CA  VAL Q 197      94.655 249.242  63.604  1.00 17.89           C  
-ATOM  28047  C   VAL Q 197      96.156 248.976  63.575  1.00 17.71           C  
-ATOM  28048  O   VAL Q 197      96.590 247.826  63.344  1.00 17.12           O  
-ATOM  28049  CB  VAL Q 197      93.980 248.386  64.691  1.00 18.00           C  
-ATOM  28050  CG1 VAL Q 197      94.592 248.699  66.051  1.00 17.47           C  
-ATOM  28051  CG2 VAL Q 197      92.475 248.636  64.682  1.00 18.27           C  
-ATOM  28052  N   SER Q 198      96.921 250.035  63.819  1.00 16.79           N  
-ATOM  28053  CA  SER Q 198      98.364 249.942  63.839  1.00 17.56           C  
-ATOM  28054  C   SER Q 198      98.902 249.827  65.265  1.00 17.53           C  
-ATOM  28055  O   SER Q 198      98.893 250.815  66.036  1.00 17.10           O  
-ATOM  28056  CB  SER Q 198      98.989 251.152  63.122  1.00 17.41           C  
-ATOM  28057  OG  SER Q 198      98.600 251.120  61.767  1.00 19.47           O  
-ATOM  28058  N   LEU Q 199      99.395 248.630  65.590  1.00 16.94           N  
-ATOM  28059  CA  LEU Q 199     100.036 248.355  66.865  1.00 16.85           C  
-ATOM  28060  C   LEU Q 199     101.566 248.555  66.773  1.00 16.68           C  
-ATOM  28061  O   LEU Q 199     102.243 247.793  66.095  1.00 16.69           O  
-ATOM  28062  CB  LEU Q 199      99.680 246.928  67.285  1.00 17.30           C  
-ATOM  28063  CG  LEU Q 199     100.371 246.348  68.529  1.00 18.28           C  
-ATOM  28064  CD1 LEU Q 199      99.970 247.105  69.792  1.00 18.42           C  
-ATOM  28065  CD2 LEU Q 199     100.008 244.871  68.640  1.00 18.98           C  
-ATOM  28066  N   ASN Q 200     102.073 249.621  67.401  1.00 16.20           N  
-ATOM  28067  CA  ASN Q 200     103.508 249.903  67.503  1.00 15.78           C  
-ATOM  28068  C   ASN Q 200     104.022 249.326  68.849  1.00 15.26           C  
-ATOM  28069  O   ASN Q 200     103.618 249.775  69.915  1.00 14.66           O  
-ATOM  28070  CB  ASN Q 200     103.769 251.418  67.384  1.00 15.78           C  
-ATOM  28071  CG  ASN Q 200     105.257 251.782  67.361  1.00 17.24           C  
-ATOM  28072  OD1 ASN Q 200     105.629 252.899  67.749  1.00 18.15           O  
-ATOM  28073  ND2 ASN Q 200     106.110 250.865  66.904  1.00 18.10           N  
-ATOM  28074  N   PHE Q 201     104.891 248.316  68.780  1.00 14.37           N  
-ATOM  28075  CA  PHE Q 201     105.320 247.591  69.966  1.00 14.07           C  
-ATOM  28076  C   PHE Q 201     106.770 247.124  69.861  1.00 13.59           C  
-ATOM  28077  O   PHE Q 201     107.322 247.085  68.771  1.00 13.36           O  
-ATOM  28078  CB  PHE Q 201     104.392 246.397  70.220  1.00 14.26           C  
-ATOM  28079  CG  PHE Q 201     104.597 245.250  69.269  1.00 15.42           C  
-ATOM  28080  CD1 PHE Q 201     104.145 245.325  67.959  1.00 15.54           C  
-ATOM  28081  CD2 PHE Q 201     105.269 244.093  69.684  1.00 16.20           C  
-ATOM  28082  CE1 PHE Q 201     104.339 244.278  67.064  1.00 16.36           C  
-ATOM  28083  CE2 PHE Q 201     105.466 243.023  68.794  1.00 16.27           C  
-ATOM  28084  CZ  PHE Q 201     105.012 243.129  67.475  1.00 16.55           C  
-ATOM  28085  N   ARG Q 202     107.372 246.740  70.993  1.00 12.77           N  
-ATOM  28086  CA  ARG Q 202     108.748 246.278  70.990  1.00 12.88           C  
-ATOM  28087  C   ARG Q 202     109.054 245.325  72.136  1.00 13.89           C  
-ATOM  28088  O   ARG Q 202     108.330 245.295  73.143  1.00 14.32           O  
-ATOM  28089  CB  ARG Q 202     109.710 247.474  71.055  1.00 12.09           C  
-ATOM  28090  CG  ARG Q 202     109.493 248.343  72.266  1.00 11.48           C  
-ATOM  28091  CD  ARG Q 202     110.560 249.404  72.446  1.00 11.79           C  
-ATOM  28092  NE  ARG Q 202     110.421 250.093  73.724  1.00 10.79           N  
-ATOM  28093  CZ  ARG Q 202     110.905 251.313  73.981  1.00 11.09           C  
-ATOM  28094  NH1 ARG Q 202     111.541 251.988  73.032  1.00 12.64           N  
-ATOM  28095  NH2 ARG Q 202     110.761 251.853  75.191  1.00  4.26           N  
-ATOM  28096  N   LYS Q 203     110.115 244.537  71.971  1.00 14.45           N  
-ATOM  28097  CA  LYS Q 203     110.644 243.722  73.058  1.00 16.23           C  
-ATOM  28098  C   LYS Q 203     111.086 244.657  74.155  1.00 15.83           C  
-ATOM  28099  O   LYS Q 203     111.786 245.633  73.901  1.00 15.58           O  
-ATOM  28100  CB  LYS Q 203     111.843 242.894  72.584  1.00 16.82           C  
-ATOM  28101  CG  LYS Q 203     111.610 241.388  72.580  1.00 21.66           C  
-ATOM  28102  CD  LYS Q 203     111.480 240.836  71.130  1.00 25.27           C  
-ATOM  28103  CE  LYS Q 203     111.491 239.288  71.086  1.00 27.91           C  
-ATOM  28104  NZ  LYS Q 203     112.844 238.683  71.344  1.00 28.57           N  
-ATOM  28105  N   LYS Q 204     110.658 244.366  75.376  1.00 16.96           N  
-ATOM  28106  CA  LYS Q 204     111.057 245.142  76.546  1.00 17.61           C  
-ATOM  28107  C   LYS Q 204     112.570 245.093  76.707  1.00 18.30           C  
-ATOM  28108  O   LYS Q 204     113.185 244.076  76.396  1.00 18.49           O  
-ATOM  28109  CB  LYS Q 204     110.435 244.546  77.792  1.00 17.65           C  
-ATOM  28110  CG  LYS Q 204     109.197 245.228  78.285  1.00 18.36           C  
-ATOM  28111  CD  LYS Q 204     108.699 244.514  79.545  1.00 16.78           C  
-ATOM  28112  CE  LYS Q 204     107.234 244.747  79.738  1.00 14.04           C  
-ATOM  28113  NZ  LYS Q 204     106.780 244.140  81.021  1.00 15.62           N  
-ATOM  28114  N   GLY Q 205     113.165 246.182  77.197  1.00 18.96           N  
-ATOM  28115  CA  GLY Q 205     114.597 246.238  77.406  1.00 19.74           C  
-ATOM  28116  C   GLY Q 205     114.862 245.883  78.859  1.00 20.80           C  
-ATOM  28117  O   GLY Q 205     113.961 245.997  79.709  1.00 21.25           O  
-TER   28118      GLY Q 205                                                      
-ATOM  28119  N   GLU R   0      56.734 244.240  46.671  1.00 24.16           N  
-ATOM  28120  CA  GLU R   0      57.739 244.819  47.649  1.00 24.97           C  
-ATOM  28121  C   GLU R   0      58.094 243.988  48.928  1.00 24.48           C  
-ATOM  28122  O   GLU R   0      57.222 243.634  49.725  1.00 25.05           O  
-ATOM  28123  CB  GLU R   0      57.285 246.208  48.070  1.00 24.96           C  
-ATOM  28124  CG  GLU R   0      58.135 246.875  49.131  1.00 27.79           C  
-ATOM  28125  CD  GLU R   0      58.005 248.392  49.104  1.00 30.68           C  
-ATOM  28126  OE1 GLU R   0      56.840 248.914  49.027  1.00 30.92           O  
-ATOM  28127  OE2 GLU R   0      59.077 249.048  49.157  1.00 30.18           O  
-ATOM  28128  N   PHE R   1      59.383 243.739  49.126  1.00 22.94           N  
-ATOM  28129  CA  PHE R   1      59.894 242.998  50.280  1.00 22.66           C  
-ATOM  28130  C   PHE R   1      60.991 243.813  50.924  1.00 21.62           C  
-ATOM  28131  O   PHE R   1      61.730 244.488  50.218  1.00 21.81           O  
-ATOM  28132  CB  PHE R   1      60.532 241.673  49.825  1.00 22.55           C  
-ATOM  28133  CG  PHE R   1      59.668 240.866  48.930  1.00 24.54           C  
-ATOM  28134  CD1 PHE R   1      58.541 240.210  49.438  1.00 26.24           C  
-ATOM  28135  CD2 PHE R   1      59.965 240.765  47.568  1.00 26.02           C  
-ATOM  28136  CE1 PHE R   1      57.712 239.446  48.605  1.00 28.06           C  
-ATOM  28137  CE2 PHE R   1      59.152 239.986  46.711  1.00 27.06           C  
-ATOM  28138  CZ  PHE R   1      58.014 239.325  47.240  1.00 28.44           C  
-ATOM  28139  N   ASP R   2      61.133 243.728  52.240  1.00 20.74           N  
-ATOM  28140  CA  ASP R   2      62.350 244.242  52.884  1.00 20.08           C  
-ATOM  28141  C   ASP R   2      63.309 243.086  53.127  1.00 19.14           C  
-ATOM  28142  O   ASP R   2      62.952 241.926  52.840  1.00 18.28           O  
-ATOM  28143  CB  ASP R   2      62.026 245.031  54.163  1.00 20.56           C  
-ATOM  28144  CG  ASP R   2      61.360 244.178  55.242  1.00 22.01           C  
-ATOM  28145  OD1 ASP R   2      61.433 242.899  55.187  1.00 22.81           O  
-ATOM  28146  OD2 ASP R   2      60.733 244.704  56.193  1.00 23.98           O  
-ATOM  28147  N   ARG R   3      64.506 243.391  53.652  1.00 18.16           N  
-ATOM  28148  CA  ARG R   3      65.531 242.374  53.863  1.00 17.56           C  
-ATOM  28149  C   ARG R   3      65.043 241.245  54.747  1.00 16.94           C  
-ATOM  28150  O   ARG R   3      65.312 240.061  54.435  1.00 17.13           O  
-ATOM  28151  CB  ARG R   3      66.800 242.947  54.455  1.00 17.89           C  
-ATOM  28152  CG  ARG R   3      67.781 243.441  53.454  1.00 18.51           C  
-ATOM  28153  CD  ARG R   3      68.708 244.521  53.996  1.00 19.25           C  
-ATOM  28154  NE  ARG R   3      69.559 244.997  52.923  1.00 22.16           N  
-ATOM  28155  CZ  ARG R   3      69.460 246.180  52.313  1.00 25.78           C  
-ATOM  28156  NH1 ARG R   3      68.517 247.075  52.643  1.00 27.48           N  
-ATOM  28157  NH2 ARG R   3      70.326 246.479  51.354  1.00 26.22           N  
-ATOM  28158  N   ALA R   4      64.318 241.596  55.808  1.00 15.71           N  
-ATOM  28159  CA  ALA R   4      63.705 240.624  56.706  1.00 15.41           C  
-ATOM  28160  C   ALA R   4      62.822 239.626  55.975  1.00 15.22           C  
-ATOM  28161  O   ALA R   4      62.916 238.443  56.243  1.00 14.66           O  
-ATOM  28162  CB  ALA R   4      62.920 241.313  57.809  1.00 15.23           C  
-ATOM  28163  N   ASP R   5      61.980 240.109  55.057  1.00 15.34           N  
-ATOM  28164  CA  ASP R   5      61.054 239.271  54.302  1.00 16.08           C  
-ATOM  28165  C   ASP R   5      61.823 238.348  53.359  1.00 15.37           C  
-ATOM  28166  O   ASP R   5      61.520 237.143  53.290  1.00 15.65           O  
-ATOM  28167  CB  ASP R   5      60.086 240.100  53.479  1.00 16.86           C  
-ATOM  28168  CG  ASP R   5      59.171 240.946  54.320  1.00 20.80           C  
-ATOM  28169  OD1 ASP R   5      58.839 240.531  55.452  1.00 24.22           O  
-ATOM  28170  OD2 ASP R   5      58.732 242.063  53.923  1.00 25.11           O  
-ATOM  28171  N   ILE R   6      62.814 238.903  52.658  1.00 14.66           N  
-ATOM  28172  CA  ILE R   6      63.682 238.128  51.767  1.00 14.10           C  
-ATOM  28173  C   ILE R   6      64.363 236.988  52.502  1.00 14.11           C  
-ATOM  28174  O   ILE R   6      64.319 235.842  52.060  1.00 13.06           O  
-ATOM  28175  CB  ILE R   6      64.716 239.021  51.044  1.00 14.33           C  
-ATOM  28176  CG1 ILE R   6      64.004 240.053  50.160  1.00 13.38           C  
-ATOM  28177  CG2 ILE R   6      65.659 238.174  50.138  1.00 13.58           C  
-ATOM  28178  CD1 ILE R   6      64.883 241.230  49.846  1.00 12.54           C  
-ATOM  28179  N   LEU R   7      64.970 237.308  53.643  1.00 14.49           N  
-ATOM  28180  CA  LEU R   7      65.698 236.329  54.425  1.00 15.27           C  
-ATOM  28181  C   LEU R   7      64.763 235.304  55.051  1.00 15.34           C  
-ATOM  28182  O   LEU R   7      65.085 234.134  55.051  1.00 14.53           O  
-ATOM  28183  CB  LEU R   7      66.617 236.988  55.474  1.00 15.87           C  
-ATOM  28184  CG  LEU R   7      67.831 237.673  54.821  1.00 17.26           C  
-ATOM  28185  CD1 LEU R   7      68.307 238.863  55.613  1.00 18.78           C  
-ATOM  28186  CD2 LEU R   7      68.923 236.666  54.626  1.00 18.74           C  
-ATOM  28187  N   TYR R   8      63.609 235.750  55.555  1.00 15.71           N  
-ATOM  28188  CA  TYR R   8      62.563 234.838  56.036  1.00 16.62           C  
-ATOM  28189  C   TYR R   8      62.186 233.853  54.951  1.00 16.18           C  
-ATOM  28190  O   TYR R   8      62.221 232.625  55.162  1.00 16.32           O  
-ATOM  28191  CB  TYR R   8      61.327 235.626  56.508  1.00 17.32           C  
-ATOM  28192  CG  TYR R   8      60.166 234.787  57.038  1.00 20.96           C  
-ATOM  28193  CD1 TYR R   8      60.261 234.094  58.251  1.00 24.39           C  
-ATOM  28194  CD2 TYR R   8      58.975 234.681  56.313  1.00 23.14           C  
-ATOM  28195  CE1 TYR R   8      59.197 233.307  58.730  1.00 26.22           C  
-ATOM  28196  CE2 TYR R   8      57.914 233.914  56.787  1.00 25.53           C  
-ATOM  28197  CZ  TYR R   8      58.030 233.229  57.997  1.00 26.92           C  
-ATOM  28198  OH  TYR R   8      56.968 232.468  58.456  1.00 28.45           O  
-ATOM  28199  N   ASN R   9      61.851 234.367  53.775  1.00 16.00           N  
-ATOM  28200  CA  ASN R   9      61.409 233.498  52.671  1.00 16.18           C  
-ATOM  28201  C   ASN R   9      62.467 232.480  52.246  1.00 15.98           C  
-ATOM  28202  O   ASN R   9      62.151 231.295  51.996  1.00 15.42           O  
-ATOM  28203  CB  ASN R   9      60.902 234.322  51.479  1.00 16.35           C  
-ATOM  28204  CG  ASN R   9      59.583 235.026  51.778  1.00 17.98           C  
-ATOM  28205  OD1 ASN R   9      58.933 234.728  52.764  1.00 19.23           O  
-ATOM  28206  ND2 ASN R   9      59.208 235.980  50.946  1.00 17.48           N  
-ATOM  28207  N   ILE R  10      63.717 232.935  52.181  1.00 16.00           N  
-ATOM  28208  CA  ILE R  10      64.831 232.053  51.913  1.00 15.77           C  
-ATOM  28209  C   ILE R  10      64.991 231.017  53.037  1.00 16.73           C  
-ATOM  28210  O   ILE R  10      65.123 229.794  52.743  1.00 15.92           O  
-ATOM  28211  CB  ILE R  10      66.117 232.824  51.722  1.00 15.99           C  
-ATOM  28212  CG1 ILE R  10      66.087 233.575  50.390  1.00 14.81           C  
-ATOM  28213  CG2 ILE R  10      67.357 231.886  51.825  1.00 15.19           C  
-ATOM  28214  CD1 ILE R  10      67.220 234.495  50.198  1.00 12.77           C  
-ATOM  28215  N   ARG R  11      64.976 231.463  54.299  1.00 15.96           N  
-ATOM  28216  CA  ARG R  11      65.176 230.489  55.374  1.00 18.80           C  
-ATOM  28217  C   ARG R  11      64.107 229.420  55.265  1.00 18.29           C  
-ATOM  28218  O   ARG R  11      64.432 228.236  55.301  1.00 19.23           O  
-ATOM  28219  CB  ARG R  11      65.214 231.115  56.769  1.00 19.97           C  
-ATOM  28220  CG  ARG R  11      65.378 230.122  57.905  1.00 24.85           C  
-ATOM  28221  CD  ARG R  11      65.747 230.737  59.255  1.00 32.58           C  
-ATOM  28222  NE  ARG R  11      67.004 230.141  59.740  1.00 39.90           N  
-ATOM  28223  CZ  ARG R  11      67.134 229.424  60.875  1.00 43.64           C  
-ATOM  28224  NH1 ARG R  11      66.084 229.208  61.680  1.00 42.88           N  
-ATOM  28225  NH2 ARG R  11      68.334 228.937  61.216  1.00 44.19           N  
-ATOM  28226  N   GLN R  12      62.857 229.841  55.032  1.00 17.96           N  
-ATOM  28227  CA  GLN R  12      61.688 228.928  54.964  1.00 17.62           C  
-ATOM  28228  C   GLN R  12      61.589 228.028  53.718  1.00 18.13           C  
-ATOM  28229  O   GLN R  12      60.976 226.962  53.752  1.00 18.18           O  
-ATOM  28230  CB  GLN R  12      60.406 229.735  55.135  1.00 17.63           C  
-ATOM  28231  CG  GLN R  12      60.251 230.320  56.543  1.00 17.81           C  
-ATOM  28232  CD  GLN R  12      60.107 229.212  57.607  1.00 22.98           C  
-ATOM  28233  OE1 GLN R  12      59.005 228.703  57.831  1.00 24.03           O  
-ATOM  28234  NE2 GLN R  12      61.218 228.819  58.226  1.00 21.72           N  
-ATOM  28235  N   THR R  13      62.221 228.413  52.621  1.00 19.41           N  
-ATOM  28236  CA  THR R  13      62.073 227.647  51.370  1.00 21.30           C  
-ATOM  28237  C   THR R  13      63.371 227.068  50.803  1.00 22.72           C  
-ATOM  28238  O   THR R  13      63.326 226.251  49.876  1.00 24.23           O  
-ATOM  28239  CB  THR R  13      61.389 228.491  50.288  1.00 21.01           C  
-ATOM  28240  OG1 THR R  13      62.153 229.662  50.069  1.00 21.29           O  
-ATOM  28241  CG2 THR R  13      60.030 229.023  50.756  1.00 20.06           C  
-ATOM  28242  N   SER R  14      64.502 227.587  51.299  1.00 23.52           N  
-ATOM  28243  CA  SER R  14      65.833 226.995  51.222  1.00 23.64           C  
-ATOM  28244  C   SER R  14      65.771 225.481  51.310  1.00 23.16           C  
-ATOM  28245  O   SER R  14      65.485 224.920  52.387  1.00 24.14           O  
-ATOM  28246  CB  SER R  14      66.631 227.392  52.488  1.00 24.63           C  
-ATOM  28247  OG  SER R  14      66.099 226.763  53.701  1.00 22.49           O  
-ATOM  28248  N   ARG R  15      66.071 224.812  50.220  1.00 21.08           N  
-ATOM  28249  CA  ARG R  15      66.267 223.388  50.329  1.00 19.23           C  
-ATOM  28250  C   ARG R  15      67.774 223.142  50.228  1.00 17.74           C  
-ATOM  28251  O   ARG R  15      68.285 222.749  49.173  1.00 17.93           O  
-ATOM  28252  CB  ARG R  15      65.483 222.685  49.241  1.00 18.58           C  
-ATOM  28253  CG  ARG R  15      64.002 222.559  49.557  1.00 20.36           C  
-ATOM  28254  CD  ARG R  15      63.708 221.840  50.870  1.00 21.25           C  
-ATOM  28255  NE  ARG R  15      64.101 220.422  50.852  1.00 24.85           N  
-ATOM  28256  CZ  ARG R  15      63.553 219.455  50.078  1.00 22.15           C  
-ATOM  28257  NH1 ARG R  15      62.571 219.713  49.218  1.00 22.32           N  
-ATOM  28258  NH2 ARG R  15      64.008 218.225  50.175  1.00 19.21           N  
-ATOM  28259  N   PRO R  16      68.482 223.375  51.321  1.00 16.51           N  
-ATOM  28260  CA  PRO R  16      69.954 223.349  51.309  1.00 16.54           C  
-ATOM  28261  C   PRO R  16      70.564 221.961  50.980  1.00 16.78           C  
-ATOM  28262  O   PRO R  16      71.771 221.898  50.632  1.00 15.80           O  
-ATOM  28263  CB  PRO R  16      70.333 223.753  52.742  1.00 16.57           C  
-ATOM  28264  CG  PRO R  16      69.131 223.343  53.570  1.00 17.30           C  
-ATOM  28265  CD  PRO R  16      67.928 223.579  52.672  1.00 16.15           C  
-ATOM  28266  N   ASP R  17      69.757 220.900  51.113  1.00 16.14           N  
-ATOM  28267  CA  ASP R  17      70.156 219.495  50.832  1.00 17.66           C  
-ATOM  28268  C   ASP R  17      70.000 219.164  49.336  1.00 17.56           C  
-ATOM  28269  O   ASP R  17      70.440 218.101  48.825  1.00 18.13           O  
-ATOM  28270  CB  ASP R  17      69.276 218.531  51.674  1.00 17.63           C  
-ATOM  28271  CG  ASP R  17      67.760 218.980  51.733  1.00 23.11           C  
-ATOM  28272  OD1 ASP R  17      67.461 220.218  51.775  1.00 25.76           O  
-ATOM  28273  OD2 ASP R  17      66.787 218.168  51.755  1.00 27.80           O  
-ATOM  28274  N   VAL R  18      69.370 220.090  48.621  1.00 17.29           N  
-ATOM  28275  CA  VAL R  18      68.922 219.833  47.260  1.00 16.94           C  
-ATOM  28276  C   VAL R  18      69.716 220.597  46.210  1.00 17.22           C  
-ATOM  28277  O   VAL R  18      69.688 221.830  46.198  1.00 16.87           O  
-ATOM  28278  CB  VAL R  18      67.428 220.154  47.102  1.00 17.19           C  
-ATOM  28279  CG1 VAL R  18      66.988 219.846  45.646  1.00 17.12           C  
-ATOM  28280  CG2 VAL R  18      66.559 219.322  48.089  1.00 15.62           C  
-ATOM  28281  N   ILE R  19      70.449 219.878  45.351  1.00 17.03           N  
-ATOM  28282  CA  ILE R  19      71.273 220.530  44.349  1.00 17.60           C  
-ATOM  28283  C   ILE R  19      70.336 221.257  43.354  1.00 18.76           C  
-ATOM  28284  O   ILE R  19      69.383 220.668  42.885  1.00 18.46           O  
-ATOM  28285  CB  ILE R  19      72.240 219.523  43.673  1.00 17.67           C  
-ATOM  28286  CG1 ILE R  19      73.078 220.192  42.603  1.00 16.96           C  
-ATOM  28287  CG2 ILE R  19      71.488 218.277  43.105  1.00 16.41           C  
-ATOM  28288  CD1 ILE R  19      74.167 219.306  42.052  1.00 15.81           C  
-ATOM  28289  N   PRO R  20      70.555 222.549  43.091  1.00 19.85           N  
-ATOM  28290  CA  PRO R  20      69.615 223.344  42.291  1.00 21.16           C  
-ATOM  28291  C   PRO R  20      69.773 223.059  40.803  1.00 22.89           C  
-ATOM  28292  O   PRO R  20      70.025 223.916  39.981  1.00 22.72           O  
-ATOM  28293  CB  PRO R  20      70.032 224.777  42.586  1.00 20.62           C  
-ATOM  28294  CG  PRO R  20      71.471 224.667  42.784  1.00 20.56           C  
-ATOM  28295  CD  PRO R  20      71.688 223.365  43.554  1.00 20.28           C  
-ATOM  28296  N   THR R  21      69.648 221.796  40.474  1.00 24.82           N  
-ATOM  28297  CA  THR R  21      69.692 221.356  39.119  1.00 27.46           C  
-ATOM  28298  C   THR R  21      68.465 221.901  38.367  1.00 29.13           C  
-ATOM  28299  O   THR R  21      67.330 221.903  38.901  1.00 29.26           O  
-ATOM  28300  CB  THR R  21      69.741 219.811  39.143  1.00 27.24           C  
-ATOM  28301  OG1 THR R  21      71.076 219.386  38.814  1.00 28.46           O  
-ATOM  28302  CG2 THR R  21      68.890 219.230  38.077  1.00 28.64           C  
-ATOM  28303  N   GLN R  22      68.709 222.404  37.148  1.00 32.26           N  
-ATOM  28304  CA  GLN R  22      67.647 222.995  36.321  1.00 34.40           C  
-ATOM  28305  C   GLN R  22      67.478 222.289  34.958  1.00 35.96           C  
-ATOM  28306  O   GLN R  22      68.159 222.625  33.967  1.00 36.79           O  
-ATOM  28307  CB  GLN R  22      67.769 224.541  36.224  1.00 35.10           C  
-ATOM  28308  CG  GLN R  22      68.852 225.157  35.293  1.00 35.20           C  
-ATOM  28309  CD  GLN R  22      68.986 226.688  35.483  1.00 36.82           C  
-ATOM  28310  OE1 GLN R  22      68.441 227.476  34.689  1.00 37.99           O  
-ATOM  28311  NE2 GLN R  22      69.702 227.104  36.524  1.00 33.13           N  
-ATOM  28312  N   ARG R  23      66.583 221.289  34.929  1.00 36.47           N  
-ATOM  28313  CA  ARG R  23      66.297 220.510  33.716  1.00 36.93           C  
-ATOM  28314  C   ARG R  23      67.121 219.216  33.626  1.00 36.54           C  
-ATOM  28315  O   ARG R  23      67.077 218.528  32.608  1.00 36.63           O  
-ATOM  28316  CB  ARG R  23      66.567 221.350  32.460  1.00 37.38           C  
-ATOM  28317  CG  ARG R  23      65.463 222.309  32.059  1.00 39.49           C  
-ATOM  28318  CD  ARG R  23      65.421 223.655  32.825  1.00 41.87           C  
-ATOM  28319  NE  ARG R  23      64.090 223.858  33.405  1.00 44.74           N  
-ATOM  28320  CZ  ARG R  23      62.958 223.926  32.691  1.00 46.06           C  
-ATOM  28321  NH1 ARG R  23      62.976 223.830  31.360  1.00 45.66           N  
-ATOM  28322  NH2 ARG R  23      61.798 224.087  33.309  1.00 47.16           N  
-ATOM  28323  N   ASP R  24      67.861 218.893  34.690  1.00 35.68           N  
-ATOM  28324  CA  ASP R  24      68.887 217.835  34.659  1.00 34.85           C  
-ATOM  28325  C   ASP R  24      70.108 218.239  33.793  1.00 33.35           C  
-ATOM  28326  O   ASP R  24      70.752 217.417  33.130  1.00 33.97           O  
-ATOM  28327  CB  ASP R  24      68.299 216.448  34.304  1.00 35.13           C  
-ATOM  28328  CG  ASP R  24      67.227 215.978  35.320  1.00 36.43           C  
-ATOM  28329  OD1 ASP R  24      67.432 216.158  36.553  1.00 39.43           O  
-ATOM  28330  OD2 ASP R  24      66.152 215.428  34.975  1.00 34.82           O  
-ATOM  28331  N   ARG R  25      70.402 219.533  33.811  1.00 31.03           N  
-ATOM  28332  CA  ARG R  25      71.655 220.069  33.292  1.00 28.18           C  
-ATOM  28333  C   ARG R  25      72.500 220.310  34.533  1.00 25.80           C  
-ATOM  28334  O   ARG R  25      71.967 220.619  35.615  1.00 25.88           O  
-ATOM  28335  CB  ARG R  25      71.400 221.360  32.491  1.00 28.50           C  
-ATOM  28336  CG  ARG R  25      70.131 221.242  31.586  1.00 29.67           C  
-ATOM  28337  CD  ARG R  25      70.131 222.048  30.270  1.00 31.69           C  
-ATOM  28338  NE  ARG R  25      68.934 221.783  29.454  1.00 32.00           N  
-ATOM  28339  CZ  ARG R  25      67.866 222.594  29.389  1.00 34.19           C  
-ATOM  28340  NH1 ARG R  25      67.832 223.736  30.103  1.00 34.76           N  
-ATOM  28341  NH2 ARG R  25      66.825 222.270  28.622  1.00 31.19           N  
-ATOM  28342  N   PRO R  26      73.809 220.151  34.425  1.00 22.72           N  
-ATOM  28343  CA  PRO R  26      74.658 220.299  35.616  1.00 20.96           C  
-ATOM  28344  C   PRO R  26      74.585 221.721  36.181  1.00 19.68           C  
-ATOM  28345  O   PRO R  26      74.351 222.634  35.398  1.00 18.91           O  
-ATOM  28346  CB  PRO R  26      76.059 219.993  35.090  1.00 20.77           C  
-ATOM  28347  CG  PRO R  26      75.952 220.184  33.590  1.00 21.41           C  
-ATOM  28348  CD  PRO R  26      74.570 219.820  33.203  1.00 22.02           C  
-ATOM  28349  N   VAL R  27      74.754 221.877  37.495  1.00 17.95           N  
-ATOM  28350  CA  VAL R  27      74.940 223.196  38.102  1.00 17.50           C  
-ATOM  28351  C   VAL R  27      76.357 223.690  37.740  1.00 16.99           C  
-ATOM  28352  O   VAL R  27      77.363 223.058  38.092  1.00 16.48           O  
-ATOM  28353  CB  VAL R  27      74.809 223.159  39.628  1.00 17.30           C  
-ATOM  28354  CG1 VAL R  27      75.133 224.554  40.231  1.00 17.28           C  
-ATOM  28355  CG2 VAL R  27      73.442 222.725  40.028  1.00 17.14           C  
-ATOM  28356  N   ALA R  28      76.427 224.784  36.996  1.00 16.18           N  
-ATOM  28357  CA  ALA R  28      77.704 225.391  36.664  1.00 15.73           C  
-ATOM  28358  C   ALA R  28      78.306 226.141  37.846  1.00 15.61           C  
-ATOM  28359  O   ALA R  28      77.811 227.203  38.229  1.00 15.21           O  
-ATOM  28360  CB  ALA R  28      77.552 226.309  35.450  1.00 15.45           C  
-ATOM  28361  N   VAL R  29      79.384 225.589  38.402  1.00 15.27           N  
-ATOM  28362  CA  VAL R  29      80.088 226.210  39.512  1.00 15.85           C  
-ATOM  28363  C   VAL R  29      81.428 226.812  39.057  1.00 16.96           C  
-ATOM  28364  O   VAL R  29      82.207 226.129  38.388  1.00 16.82           O  
-ATOM  28365  CB  VAL R  29      80.334 225.183  40.664  1.00 15.65           C  
-ATOM  28366  CG1 VAL R  29      81.022 225.845  41.825  1.00 14.60           C  
-ATOM  28367  CG2 VAL R  29      79.002 224.545  41.144  1.00 14.73           C  
-ATOM  28368  N   SER R  30      81.682 228.079  39.395  1.00 17.50           N  
-ATOM  28369  CA  SER R  30      82.962 228.718  39.122  1.00 18.71           C  
-ATOM  28370  C   SER R  30      83.742 228.777  40.407  1.00 19.36           C  
-ATOM  28371  O   SER R  30      83.173 229.056  41.475  1.00 19.49           O  
-ATOM  28372  CB  SER R  30      82.798 230.130  38.588  1.00 18.22           C  
-ATOM  28373  OG  SER R  30      81.997 230.092  37.441  1.00 20.97           O  
-ATOM  28374  N   VAL R  31      85.030 228.470  40.320  1.00 19.78           N  
-ATOM  28375  CA  VAL R  31      85.914 228.513  41.487  1.00 20.75           C  
-ATOM  28376  C   VAL R  31      87.202 229.172  41.072  1.00 21.12           C  
-ATOM  28377  O   VAL R  31      87.699 228.969  39.955  1.00 20.96           O  
-ATOM  28378  CB  VAL R  31      86.348 227.128  41.999  1.00 21.59           C  
-ATOM  28379  CG1 VAL R  31      86.810 227.227  43.490  1.00 20.94           C  
-ATOM  28380  CG2 VAL R  31      85.243 226.098  41.868  1.00 22.18           C  
-ATOM  28381  N   SER R  32      87.747 229.938  42.001  1.00 21.29           N  
-ATOM  28382  CA  SER R  32      88.940 230.719  41.790  1.00 22.44           C  
-ATOM  28383  C   SER R  32      89.555 230.893  43.164  1.00 22.28           C  
-ATOM  28384  O   SER R  32      88.846 231.178  44.146  1.00 22.23           O  
-ATOM  28385  CB  SER R  32      88.543 232.061  41.188  1.00 22.47           C  
-ATOM  28386  OG  SER R  32      89.639 232.950  41.098  1.00 27.36           O  
-ATOM  28387  N   LEU R  33      90.859 230.679  43.262  1.00 21.79           N  
-ATOM  28388  CA  LEU R  33      91.550 230.840  44.540  1.00 21.28           C  
-ATOM  28389  C   LEU R  33      92.341 232.123  44.481  1.00 21.45           C  
-ATOM  28390  O   LEU R  33      93.085 232.341  43.520  1.00 21.35           O  
-ATOM  28391  CB  LEU R  33      92.464 229.661  44.854  1.00 20.89           C  
-ATOM  28392  CG  LEU R  33      91.904 228.225  44.824  1.00 21.30           C  
-ATOM  28393  CD1 LEU R  33      92.949 227.288  45.369  1.00 19.24           C  
-ATOM  28394  CD2 LEU R  33      90.614 228.035  45.593  1.00 20.36           C  
-ATOM  28395  N   LYS R  34      92.119 233.007  45.454  1.00 20.89           N  
-ATOM  28396  CA  LYS R  34      92.900 234.261  45.527  1.00 20.31           C  
-ATOM  28397  C   LYS R  34      93.861 234.093  46.682  1.00 19.35           C  
-ATOM  28398  O   LYS R  34      93.449 234.047  47.853  1.00 18.77           O  
-ATOM  28399  CB  LYS R  34      92.032 235.486  45.788  1.00 20.97           C  
-ATOM  28400  CG  LYS R  34      90.779 235.599  44.926  1.00 23.54           C  
-ATOM  28401  CD  LYS R  34      91.087 236.089  43.517  1.00 27.32           C  
-ATOM  28402  CE  LYS R  34      89.875 235.794  42.625  1.00 30.69           C  
-ATOM  28403  NZ  LYS R  34      90.169 235.953  41.166  1.00 33.94           N  
-ATOM  28404  N   PHE R  35      95.129 233.955  46.353  1.00 17.87           N  
-ATOM  28405  CA  PHE R  35      96.120 233.647  47.371  1.00 17.32           C  
-ATOM  28406  C   PHE R  35      96.448 234.865  48.209  1.00 16.50           C  
-ATOM  28407  O   PHE R  35      96.715 235.963  47.672  1.00 16.75           O  
-ATOM  28408  CB  PHE R  35      97.353 232.980  46.756  1.00 16.75           C  
-ATOM  28409  CG  PHE R  35      97.069 231.597  46.201  1.00 17.22           C  
-ATOM  28410  CD1 PHE R  35      97.036 230.485  47.046  1.00 17.66           C  
-ATOM  28411  CD2 PHE R  35      96.805 231.414  44.839  1.00 18.17           C  
-ATOM  28412  CE1 PHE R  35      96.755 229.192  46.544  1.00 19.11           C  
-ATOM  28413  CE2 PHE R  35      96.518 230.146  44.322  1.00 17.60           C  
-ATOM  28414  CZ  PHE R  35      96.501 229.025  45.163  1.00 18.08           C  
-ATOM  28415  N   ILE R  36      96.384 234.685  49.521  1.00 15.82           N  
-ATOM  28416  CA  ILE R  36      96.636 235.735  50.486  1.00 15.65           C  
-ATOM  28417  C   ILE R  36      98.004 235.583  51.154  1.00 16.12           C  
-ATOM  28418  O   ILE R  36      98.734 236.553  51.326  1.00 15.35           O  
-ATOM  28419  CB  ILE R  36      95.511 235.823  51.548  1.00 15.65           C  
-ATOM  28420  CG1 ILE R  36      94.117 235.746  50.913  1.00 15.43           C  
-ATOM  28421  CG2 ILE R  36      95.632 237.169  52.383  1.00 14.70           C  
-ATOM  28422  CD1 ILE R  36      93.864 236.790  49.778  1.00 13.23           C  
-ATOM  28423  N   ASN R  37      98.338 234.356  51.522  1.00 16.60           N  
-ATOM  28424  CA  ASN R  37      99.585 234.078  52.200  1.00 17.86           C  
-ATOM  28425  C   ASN R  37     100.042 232.654  52.027  1.00 18.43           C  
-ATOM  28426  O   ASN R  37      99.232 231.737  51.829  1.00 18.16           O  
-ATOM  28427  CB  ASN R  37      99.482 234.398  53.684  1.00 17.53           C  
-ATOM  28428  CG  ASN R  37     100.654 235.239  54.171  1.00 19.69           C  
-ATOM  28429  OD1 ASN R  37     101.844 234.931  53.891  1.00 19.32           O  
-ATOM  28430  ND2 ASN R  37     100.340 236.297  54.910  1.00 15.99           N  
-ATOM  28431  N   ILE R  38     101.363 232.489  52.083  1.00 19.00           N  
-ATOM  28432  CA  ILE R  38     101.988 231.188  52.162  1.00 19.36           C  
-ATOM  28433  C   ILE R  38     102.738 231.204  53.482  1.00 20.11           C  
-ATOM  28434  O   ILE R  38     103.665 231.977  53.683  1.00 20.15           O  
-ATOM  28435  CB  ILE R  38     102.909 230.978  50.940  1.00 19.74           C  
-ATOM  28436  CG1 ILE R  38     102.097 231.158  49.642  1.00 19.31           C  
-ATOM  28437  CG2 ILE R  38     103.593 229.586  50.992  1.00 19.23           C  
-ATOM  28438  CD1 ILE R  38     102.908 231.329  48.413  1.00 19.63           C  
-ATOM  28439  N   LEU R  39     102.289 230.377  54.411  1.00 20.97           N  
-ATOM  28440  CA  LEU R  39     102.750 230.443  55.781  1.00 21.66           C  
-ATOM  28441  C   LEU R  39     103.911 229.522  56.097  1.00 22.48           C  
-ATOM  28442  O   LEU R  39     104.719 229.812  56.988  1.00 23.11           O  
-ATOM  28443  CB  LEU R  39     101.597 230.122  56.719  1.00 21.40           C  
-ATOM  28444  CG  LEU R  39     100.437 231.092  56.482  1.00 23.05           C  
-ATOM  28445  CD1 LEU R  39      99.224 230.649  57.246  1.00 23.88           C  
-ATOM  28446  CD2 LEU R  39     100.814 232.523  56.831  1.00 22.89           C  
-ATOM  28447  N   GLU R  40     103.985 228.400  55.396  1.00 22.61           N  
-ATOM  28448  CA  GLU R  40     105.009 227.399  55.681  1.00 23.16           C  
-ATOM  28449  C   GLU R  40     105.166 226.524  54.472  1.00 22.11           C  
-ATOM  28450  O   GLU R  40     104.205 226.172  53.820  1.00 22.56           O  
-ATOM  28451  CB  GLU R  40     104.631 226.540  56.900  1.00 23.54           C  
-ATOM  28452  CG  GLU R  40     105.731 225.592  57.352  1.00 27.15           C  
-ATOM  28453  CD  GLU R  40     105.340 224.767  58.569  1.00 32.49           C  
-ATOM  28454  OE1 GLU R  40     104.124 224.417  58.711  1.00 33.64           O  
-ATOM  28455  OE2 GLU R  40     106.263 224.470  59.377  1.00 34.06           O  
-ATOM  28456  N   VAL R  41     106.403 226.195  54.181  1.00 21.22           N  
-ATOM  28457  CA  VAL R  41     106.733 225.386  53.039  1.00 20.66           C  
-ATOM  28458  C   VAL R  41     107.776 224.389  53.520  1.00 20.39           C  
-ATOM  28459  O   VAL R  41     108.608 224.722  54.362  1.00 19.65           O  
-ATOM  28460  CB  VAL R  41     107.245 226.311  51.913  1.00 20.96           C  
-ATOM  28461  CG1 VAL R  41     108.343 225.716  51.116  1.00 20.98           C  
-ATOM  28462  CG2 VAL R  41     106.103 226.770  51.026  1.00 20.30           C  
-ATOM  28463  N   ASN R  42     107.693 223.148  53.039  1.00 20.10           N  
-ATOM  28464  CA  ASN R  42     108.648 222.126  53.449  1.00 20.34           C  
-ATOM  28465  C   ASN R  42     109.085 221.356  52.220  1.00 20.62           C  
-ATOM  28466  O   ASN R  42     108.311 220.604  51.625  1.00 20.19           O  
-ATOM  28467  CB  ASN R  42     108.080 221.220  54.564  1.00 20.34           C  
-ATOM  28468  CG  ASN R  42     109.137 220.292  55.185  1.00 20.64           C  
-ATOM  28469  OD1 ASN R  42     110.035 219.801  54.511  1.00 21.16           O  
-ATOM  28470  ND2 ASN R  42     109.015 220.045  56.477  1.00 19.26           N  
-ATOM  28471  N   GLU R  43     110.333 221.572  51.819  1.00 21.26           N  
-ATOM  28472  CA  GLU R  43     110.856 221.000  50.587  1.00 21.85           C  
-ATOM  28473  C   GLU R  43     111.225 219.521  50.762  1.00 21.94           C  
-ATOM  28474  O   GLU R  43     111.307 218.758  49.788  1.00 21.56           O  
-ATOM  28475  CB  GLU R  43     112.035 221.820  50.049  1.00 22.35           C  
-ATOM  28476  CG  GLU R  43     112.073 221.902  48.535  1.00 24.27           C  
-ATOM  28477  CD  GLU R  43     113.288 222.644  47.983  1.00 27.66           C  
-ATOM  28478  OE1 GLU R  43     113.697 223.646  48.626  1.00 29.13           O  
-ATOM  28479  OE2 GLU R  43     113.818 222.243  46.896  1.00 27.53           O  
-ATOM  28480  N   ILE R  44     111.431 219.113  52.003  1.00 21.80           N  
-ATOM  28481  CA  ILE R  44     111.687 217.708  52.288  1.00 21.98           C  
-ATOM  28482  C   ILE R  44     110.385 216.912  52.168  1.00 21.68           C  
-ATOM  28483  O   ILE R  44     110.373 215.889  51.493  1.00 21.59           O  
-ATOM  28484  CB  ILE R  44     112.329 217.517  53.703  1.00 22.26           C  
-ATOM  28485  CG1 ILE R  44     113.630 218.336  53.863  1.00 22.82           C  
-ATOM  28486  CG2 ILE R  44     112.551 216.008  54.006  1.00 22.57           C  
-ATOM  28487  CD1 ILE R  44     114.740 218.020  52.877  1.00 24.24           C  
-ATOM  28488  N   THR R  45     109.305 217.378  52.818  1.00 20.71           N  
-ATOM  28489  CA  THR R  45     108.056 216.613  52.871  1.00 20.22           C  
-ATOM  28490  C   THR R  45     107.137 216.912  51.704  1.00 19.72           C  
-ATOM  28491  O   THR R  45     106.204 216.174  51.477  1.00 19.46           O  
-ATOM  28492  CB  THR R  45     107.311 216.808  54.211  1.00 20.33           C  
-ATOM  28493  OG1 THR R  45     106.965 218.185  54.371  1.00 20.53           O  
-ATOM  28494  CG2 THR R  45     108.247 216.542  55.397  1.00 20.06           C  
-ATOM  28495  N   ASN R  46     107.440 217.976  50.944  1.00 19.26           N  
-ATOM  28496  CA  ASN R  46     106.580 218.467  49.864  1.00 18.49           C  
-ATOM  28497  C   ASN R  46     105.205 218.855  50.401  1.00 18.25           C  
-ATOM  28498  O   ASN R  46     104.174 218.362  49.936  1.00 17.87           O  
-ATOM  28499  CB  ASN R  46     106.470 217.441  48.733  1.00 17.91           C  
-ATOM  28500  CG  ASN R  46     107.533 217.636  47.636  1.00 18.19           C  
-ATOM  28501  OD1 ASN R  46     107.984 218.751  47.375  1.00 17.22           O  
-ATOM  28502  ND2 ASN R  46     107.919 216.546  46.975  1.00 14.99           N  
-ATOM  28503  N   GLU R  47     105.205 219.749  51.380  1.00 18.65           N  
-ATOM  28504  CA  GLU R  47     103.983 220.205  52.029  1.00 19.25           C  
-ATOM  28505  C   GLU R  47     104.006 221.731  52.109  1.00 19.62           C  
-ATOM  28506  O   GLU R  47     105.066 222.345  52.359  1.00 19.50           O  
-ATOM  28507  CB  GLU R  47     103.826 219.571  53.428  1.00 19.25           C  
-ATOM  28508  CG  GLU R  47     103.587 218.058  53.395  1.00 21.65           C  
-ATOM  28509  CD  GLU R  47     103.530 217.400  54.769  1.00 25.84           C  
-ATOM  28510  OE1 GLU R  47     103.259 218.095  55.792  1.00 28.04           O  
-ATOM  28511  OE2 GLU R  47     103.748 216.170  54.828  1.00 27.97           O  
-ATOM  28512  N   VAL R  48     102.841 222.336  51.875  1.00 19.34           N  
-ATOM  28513  CA  VAL R  48     102.656 223.767  51.994  1.00 20.12           C  
-ATOM  28514  C   VAL R  48     101.423 224.116  52.840  1.00 20.13           C  
-ATOM  28515  O   VAL R  48     100.424 223.393  52.821  1.00 19.97           O  
-ATOM  28516  CB  VAL R  48     102.578 224.463  50.596  1.00 19.97           C  
-ATOM  28517  CG1 VAL R  48     103.723 224.080  49.746  1.00 20.59           C  
-ATOM  28518  CG2 VAL R  48     101.332 224.142  49.889  1.00 20.28           C  
-ATOM  28519  N   ASP R  49     101.510 225.225  53.560  1.00 20.53           N  
-ATOM  28520  CA  ASP R  49     100.433 225.751  54.398  1.00 21.16           C  
-ATOM  28521  C   ASP R  49     100.064 227.112  53.778  1.00 20.63           C  
-ATOM  28522  O   ASP R  49     100.914 227.999  53.679  1.00 20.15           O  
-ATOM  28523  CB  ASP R  49     100.972 225.918  55.839  1.00 21.86           C  
-ATOM  28524  CG  ASP R  49      99.892 226.102  56.884  1.00 24.65           C  
-ATOM  28525  OD1 ASP R  49      98.715 226.285  56.529  1.00 28.79           O  
-ATOM  28526  OD2 ASP R  49     100.117 226.067  58.125  1.00 28.75           O  
-ATOM  28527  N   VAL R  50      98.810 227.278  53.369  1.00 20.31           N  
-ATOM  28528  CA  VAL R  50      98.414 228.424  52.549  1.00 20.02           C  
-ATOM  28529  C   VAL R  50      97.102 229.050  53.066  1.00 19.33           C  
-ATOM  28530  O   VAL R  50      96.279 228.373  53.669  1.00 18.80           O  
-ATOM  28531  CB  VAL R  50      98.253 228.014  51.051  1.00 20.64           C  
-ATOM  28532  CG1 VAL R  50      97.813 229.184  50.243  1.00 22.60           C  
-ATOM  28533  CG2 VAL R  50      99.546 227.477  50.470  1.00 21.86           C  
-ATOM  28534  N   VAL R  51      96.940 230.354  52.840  1.00 18.11           N  
-ATOM  28535  CA  VAL R  51      95.689 231.064  53.067  1.00 17.07           C  
-ATOM  28536  C   VAL R  51      95.216 231.701  51.739  1.00 17.00           C  
-ATOM  28537  O   VAL R  51      95.989 232.449  51.084  1.00 16.12           O  
-ATOM  28538  CB  VAL R  51      95.848 232.233  54.095  1.00 17.31           C  
-ATOM  28539  CG1 VAL R  51      94.487 232.936  54.319  1.00 16.89           C  
-ATOM  28540  CG2 VAL R  51      96.405 231.768  55.399  1.00 16.56           C  
-ATOM  28541  N   PHE R  52      93.956 231.438  51.372  1.00 16.00           N  
-ATOM  28542  CA  PHE R  52      93.377 231.917  50.138  1.00 15.01           C  
-ATOM  28543  C   PHE R  52      91.901 232.206  50.319  1.00 15.56           C  
-ATOM  28544  O   PHE R  52      91.279 231.654  51.213  1.00 14.86           O  
-ATOM  28545  CB  PHE R  52      93.541 230.878  49.005  1.00 14.84           C  
-ATOM  28546  CG  PHE R  52      93.106 229.466  49.382  1.00 16.32           C  
-ATOM  28547  CD1 PHE R  52      93.997 228.579  49.967  1.00 17.28           C  
-ATOM  28548  CD2 PHE R  52      91.794 229.025  49.131  1.00 15.78           C  
-ATOM  28549  CE1 PHE R  52      93.594 227.263  50.272  1.00 18.24           C  
-ATOM  28550  CE2 PHE R  52      91.394 227.702  49.398  1.00 14.59           C  
-ATOM  28551  CZ  PHE R  52      92.268 226.832  49.988  1.00 15.84           C  
-ATOM  28552  N   TRP R  53      91.357 233.084  49.464  1.00 15.79           N  
-ATOM  28553  CA  TRP R  53      89.939 233.267  49.346  1.00 16.78           C  
-ATOM  28554  C   TRP R  53      89.425 232.320  48.251  1.00 17.66           C  
-ATOM  28555  O   TRP R  53      89.881 232.365  47.114  1.00 17.97           O  
-ATOM  28556  CB  TRP R  53      89.592 234.730  49.020  1.00 16.27           C  
-ATOM  28557  CG  TRP R  53      90.107 235.713  50.042  1.00 16.11           C  
-ATOM  28558  CD1 TRP R  53      90.524 235.442  51.316  1.00 16.35           C  
-ATOM  28559  CD2 TRP R  53      90.245 237.128  49.870  1.00 15.87           C  
-ATOM  28560  NE1 TRP R  53      90.911 236.610  51.944  1.00 16.88           N  
-ATOM  28561  CE2 TRP R  53      90.749 237.655  51.070  1.00 16.65           C  
-ATOM  28562  CE3 TRP R  53      89.979 238.004  48.819  1.00 18.00           C  
-ATOM  28563  CZ2 TRP R  53      91.017 239.022  51.244  1.00 18.49           C  
-ATOM  28564  CZ3 TRP R  53      90.251 239.384  48.993  1.00 19.56           C  
-ATOM  28565  CH2 TRP R  53      90.742 239.864  50.200  1.00 18.94           C  
-ATOM  28566  N   GLN R  54      88.492 231.452  48.604  1.00 18.14           N  
-ATOM  28567  CA  GLN R  54      87.969 230.510  47.647  1.00 19.39           C  
-ATOM  28568  C   GLN R  54      86.716 231.099  47.063  1.00 18.94           C  
-ATOM  28569  O   GLN R  54      85.622 230.872  47.569  1.00 19.25           O  
-ATOM  28570  CB  GLN R  54      87.701 229.164  48.325  1.00 19.38           C  
-ATOM  28571  CG  GLN R  54      87.165 228.063  47.405  1.00 22.77           C  
-ATOM  28572  CD  GLN R  54      87.263 226.680  48.043  1.00 27.56           C  
-ATOM  28573  OE1 GLN R  54      88.357 226.203  48.359  1.00 29.29           O  
-ATOM  28574  NE2 GLN R  54      86.139 226.052  48.259  1.00 29.02           N  
-ATOM  28575  N   GLN R  55      86.880 231.866  46.009  1.00 19.12           N  
-ATOM  28576  CA  GLN R  55      85.755 232.560  45.383  1.00 19.66           C  
-ATOM  28577  C   GLN R  55      84.910 231.526  44.661  1.00 19.53           C  
-ATOM  28578  O   GLN R  55      85.397 230.913  43.722  1.00 19.34           O  
-ATOM  28579  CB  GLN R  55      86.257 233.625  44.406  1.00 19.37           C  
-ATOM  28580  CG  GLN R  55      85.132 234.300  43.652  1.00 21.77           C  
-ATOM  28581  CD  GLN R  55      85.590 235.395  42.718  1.00 26.43           C  
-ATOM  28582  OE1 GLN R  55      86.742 235.842  42.780  1.00 28.56           O  
-ATOM  28583  NE2 GLN R  55      84.688 235.839  41.842  1.00 27.01           N  
-ATOM  28584  N   THR R  56      83.667 231.340  45.112  1.00 19.08           N  
-ATOM  28585  CA  THR R  56      82.765 230.319  44.573  1.00 19.57           C  
-ATOM  28586  C   THR R  56      81.456 230.926  44.188  1.00 19.52           C  
-ATOM  28587  O   THR R  56      80.876 231.676  44.953  1.00 19.43           O  
-ATOM  28588  CB  THR R  56      82.488 229.262  45.622  1.00 19.81           C  
-ATOM  28589  OG1 THR R  56      83.697 229.026  46.331  1.00 21.76           O  
-ATOM  28590  CG2 THR R  56      82.221 227.915  44.966  1.00 19.71           C  
-ATOM  28591  N   THR R  57      80.985 230.554  43.007  1.00 18.94           N  
-ATOM  28592  CA  THR R  57      79.903 231.231  42.342  1.00 19.34           C  
-ATOM  28593  C   THR R  57      79.030 230.168  41.655  1.00 18.65           C  
-ATOM  28594  O   THR R  57      79.560 229.187  41.047  1.00 17.77           O  
-ATOM  28595  CB  THR R  57      80.520 232.206  41.338  1.00 19.56           C  
-ATOM  28596  OG1 THR R  57      80.351 233.550  41.802  1.00 22.20           O  
-ATOM  28597  CG2 THR R  57      79.863 232.167  40.041  1.00 21.31           C  
-ATOM  28598  N   TRP R  58      77.716 230.353  41.779  1.00 16.98           N  
-ATOM  28599  CA  TRP R  58      76.756 229.484  41.120  1.00 17.23           C  
-ATOM  28600  C   TRP R  58      75.393 230.109  41.143  1.00 17.04           C  
-ATOM  28601  O   TRP R  58      75.165 231.105  41.792  1.00 17.16           O  
-ATOM  28602  CB  TRP R  58      76.707 228.092  41.762  1.00 16.30           C  
-ATOM  28603  CG  TRP R  58      76.100 228.083  43.127  1.00 16.48           C  
-ATOM  28604  CD1 TRP R  58      74.801 227.811  43.447  1.00 16.13           C  
-ATOM  28605  CD2 TRP R  58      76.773 228.326  44.364  1.00 14.72           C  
-ATOM  28606  NE1 TRP R  58      74.624 227.880  44.809  1.00 15.38           N  
-ATOM  28607  CE2 TRP R  58      75.823 228.204  45.389  1.00 13.63           C  
-ATOM  28608  CE3 TRP R  58      78.091 228.635  44.707  1.00 13.65           C  
-ATOM  28609  CZ2 TRP R  58      76.140 228.398  46.720  1.00 14.26           C  
-ATOM  28610  CZ3 TRP R  58      78.415 228.825  46.026  1.00 13.51           C  
-ATOM  28611  CH2 TRP R  58      77.448 228.726  47.023  1.00 15.01           C  
-ATOM  28612  N   SER R  59      74.473 229.464  40.470  1.00 17.62           N  
-ATOM  28613  CA  SER R  59      73.113 229.949  40.368  1.00 18.94           C  
-ATOM  28614  C   SER R  59      72.124 228.980  41.030  1.00 18.76           C  
-ATOM  28615  O   SER R  59      72.166 227.771  40.810  1.00 18.22           O  
-ATOM  28616  CB  SER R  59      72.782 230.160  38.883  1.00 18.61           C  
-ATOM  28617  OG  SER R  59      71.430 229.886  38.667  1.00 22.12           O  
-ATOM  28618  N   ASP R  60      71.241 229.522  41.862  1.00 19.44           N  
-ATOM  28619  CA  ASP R  60      70.134 228.747  42.418  1.00 19.58           C  
-ATOM  28620  C   ASP R  60      68.829 229.540  42.322  1.00 19.30           C  
-ATOM  28621  O   ASP R  60      68.536 230.425  43.137  1.00 18.62           O  
-ATOM  28622  CB  ASP R  60      70.464 228.378  43.856  1.00 19.74           C  
-ATOM  28623  CG  ASP R  60      69.440 227.463  44.500  1.00 21.75           C  
-ATOM  28624  OD1 ASP R  60      68.330 227.234  43.953  1.00 21.79           O  
-ATOM  28625  OD2 ASP R  60      69.683 226.898  45.592  1.00 24.10           O  
-ATOM  28626  N   ARG R  61      68.037 229.188  41.335  1.00 19.21           N  
-ATOM  28627  CA  ARG R  61      66.887 229.990  40.960  1.00 19.59           C  
-ATOM  28628  C   ARG R  61      65.714 229.874  41.963  1.00 19.30           C  
-ATOM  28629  O   ARG R  61      64.825 230.733  41.974  1.00 16.86           O  
-ATOM  28630  CB  ARG R  61      66.474 229.687  39.517  1.00 20.45           C  
-ATOM  28631  CG  ARG R  61      67.392 230.368  38.431  1.00 25.26           C  
-ATOM  28632  CD  ARG R  61      67.370 229.621  37.052  1.00 33.09           C  
-ATOM  28633  NE  ARG R  61      67.856 230.360  35.866  1.00 35.58           N  
-ATOM  28634  CZ  ARG R  61      67.286 230.298  34.637  1.00 39.16           C  
-ATOM  28635  NH1 ARG R  61      66.203 229.539  34.416  1.00 39.78           N  
-ATOM  28636  NH2 ARG R  61      67.791 230.998  33.617  1.00 37.56           N  
-ATOM  28637  N   THR R  62      65.746 228.828  42.810  1.00 20.28           N  
-ATOM  28638  CA  THR R  62      64.787 228.685  43.905  1.00 20.89           C  
-ATOM  28639  C   THR R  62      64.967 229.792  44.955  1.00 20.25           C  
-ATOM  28640  O   THR R  62      64.105 229.970  45.805  1.00 20.27           O  
-ATOM  28641  CB  THR R  62      64.833 227.277  44.603  1.00 20.95           C  
-ATOM  28642  OG1 THR R  62      66.089 227.115  45.262  1.00 22.78           O  
-ATOM  28643  CG2 THR R  62      64.807 226.109  43.595  1.00 21.92           C  
-ATOM  28644  N   LEU R  63      66.083 230.515  44.894  1.00 19.71           N  
-ATOM  28645  CA  LEU R  63      66.350 231.618  45.811  1.00 19.47           C  
-ATOM  28646  C   LEU R  63      65.810 232.947  45.278  1.00 19.33           C  
-ATOM  28647  O   LEU R  63      65.670 233.917  46.039  1.00 19.65           O  
-ATOM  28648  CB  LEU R  63      67.849 231.765  46.064  1.00 18.71           C  
-ATOM  28649  CG  LEU R  63      68.599 230.566  46.658  1.00 20.39           C  
-ATOM  28650  CD1 LEU R  63      70.053 230.933  46.759  1.00 18.96           C  
-ATOM  28651  CD2 LEU R  63      68.055 230.156  48.027  1.00 19.27           C  
-ATOM  28652  N   ALA R  64      65.513 232.988  43.992  1.00 18.35           N  
-ATOM  28653  CA  ALA R  64      65.161 234.226  43.319  1.00 18.71           C  
-ATOM  28654  C   ALA R  64      63.919 234.901  43.885  1.00 18.66           C  
-ATOM  28655  O   ALA R  64      62.987 234.239  44.345  1.00 18.80           O  
-ATOM  28656  CB  ALA R  64      64.985 233.980  41.793  1.00 18.61           C  
-ATOM  28657  N   TRP R  65      63.912 236.228  43.842  1.00 18.66           N  
-ATOM  28658  CA  TRP R  65      62.737 236.994  44.229  1.00 18.41           C  
-ATOM  28659  C   TRP R  65      62.599 238.229  43.338  1.00 18.94           C  
-ATOM  28660  O   TRP R  65      63.568 238.684  42.727  1.00 18.77           O  
-ATOM  28661  CB  TRP R  65      62.828 237.387  45.703  1.00 17.68           C  
-ATOM  28662  CG  TRP R  65      63.891 238.439  46.007  1.00 16.44           C  
-ATOM  28663  CD1 TRP R  65      63.742 239.806  45.998  1.00 14.52           C  
-ATOM  28664  CD2 TRP R  65      65.252 238.191  46.374  1.00 13.61           C  
-ATOM  28665  NE1 TRP R  65      64.926 240.408  46.346  1.00 12.96           N  
-ATOM  28666  CE2 TRP R  65      65.868 239.445  46.583  1.00 12.08           C  
-ATOM  28667  CE3 TRP R  65      66.025 237.032  46.519  1.00 12.54           C  
-ATOM  28668  CZ2 TRP R  65      67.211 239.570  46.925  1.00 11.32           C  
-ATOM  28669  CZ3 TRP R  65      67.373 237.160  46.874  1.00 12.01           C  
-ATOM  28670  CH2 TRP R  65      67.948 238.412  47.066  1.00 11.62           C  
-ATOM  28671  N   ASN R  66      61.397 238.759  43.266  1.00 19.36           N  
-ATOM  28672  CA  ASN R  66      61.152 239.944  42.478  1.00 20.44           C  
-ATOM  28673  C   ASN R  66      61.685 241.162  43.223  1.00 20.30           C  
-ATOM  28674  O   ASN R  66      61.195 241.500  44.288  1.00 20.51           O  
-ATOM  28675  CB  ASN R  66      59.658 240.071  42.210  1.00 21.00           C  
-ATOM  28676  CG  ASN R  66      59.333 241.149  41.172  1.00 22.75           C  
-ATOM  28677  OD1 ASN R  66      60.092 242.120  40.986  1.00 23.26           O  
-ATOM  28678  ND2 ASN R  66      58.206 240.983  40.497  1.00 24.94           N  
-ATOM  28679  N   SER R  67      62.697 241.808  42.670  1.00 19.78           N  
-ATOM  28680  CA  SER R  67      63.344 242.926  43.349  1.00 19.94           C  
-ATOM  28681  C   SER R  67      63.028 244.287  42.737  1.00 20.04           C  
-ATOM  28682  O   SER R  67      63.816 245.227  42.855  1.00 19.28           O  
-ATOM  28683  CB  SER R  67      64.854 242.705  43.355  1.00 19.84           C  
-ATOM  28684  OG  SER R  67      65.320 242.576  42.020  1.00 19.56           O  
-ATOM  28685  N   SER R  68      61.871 244.396  42.087  1.00 21.63           N  
-ATOM  28686  CA  SER R  68      61.508 245.629  41.377  1.00 22.95           C  
-ATOM  28687  C   SER R  68      61.461 246.819  42.323  1.00 23.20           C  
-ATOM  28688  O   SER R  68      61.816 247.943  41.959  1.00 23.64           O  
-ATOM  28689  CB  SER R  68      60.152 245.481  40.674  1.00 23.45           C  
-ATOM  28690  OG  SER R  68      60.259 244.613  39.557  1.00 25.34           O  
-ATOM  28691  N   HIS R  69      61.023 246.555  43.547  1.00 23.47           N  
-ATOM  28692  CA  HIS R  69      60.851 247.599  44.539  1.00 23.46           C  
-ATOM  28693  C   HIS R  69      61.462 247.141  45.854  1.00 23.41           C  
-ATOM  28694  O   HIS R  69      61.047 247.611  46.918  1.00 23.86           O  
-ATOM  28695  CB  HIS R  69      59.360 247.913  44.673  1.00 23.94           C  
-ATOM  28696  CG  HIS R  69      58.679 248.147  43.352  1.00 25.80           C  
-ATOM  28697  ND1 HIS R  69      58.848 249.304  42.618  1.00 28.25           N  
-ATOM  28698  CD2 HIS R  69      57.856 247.359  42.618  1.00 25.78           C  
-ATOM  28699  CE1 HIS R  69      58.151 249.223  41.498  1.00 27.36           C  
-ATOM  28700  NE2 HIS R  69      57.539 248.053  41.474  1.00 26.83           N  
-ATOM  28701  N   SER R  70      62.458 246.239  45.761  1.00 22.42           N  
-ATOM  28702  CA  SER R  70      63.103 245.573  46.917  1.00 21.94           C  
-ATOM  28703  C   SER R  70      64.630 245.601  46.809  1.00 21.70           C  
-ATOM  28704  O   SER R  70      65.173 245.758  45.704  1.00 21.64           O  
-ATOM  28705  CB  SER R  70      62.634 244.121  47.018  1.00 21.73           C  
-ATOM  28706  OG  SER R  70      61.223 244.070  47.115  1.00 22.60           O  
-ATOM  28707  N   PRO R  71      65.338 245.458  47.931  1.00 21.50           N  
-ATOM  28708  CA  PRO R  71      66.793 245.191  47.869  1.00 21.21           C  
-ATOM  28709  C   PRO R  71      67.048 244.031  46.914  1.00 20.81           C  
-ATOM  28710  O   PRO R  71      66.297 243.038  46.901  1.00 20.11           O  
-ATOM  28711  CB  PRO R  71      67.143 244.771  49.293  1.00 21.03           C  
-ATOM  28712  CG  PRO R  71      66.103 245.484  50.154  1.00 21.43           C  
-ATOM  28713  CD  PRO R  71      64.836 245.541  49.319  1.00 21.37           C  
-ATOM  28714  N   ASP R  72      68.082 244.164  46.099  1.00 20.52           N  
-ATOM  28715  CA  ASP R  72      68.351 243.122  45.129  1.00 21.25           C  
-ATOM  28716  C   ASP R  72      69.483 242.149  45.540  1.00 19.84           C  
-ATOM  28717  O   ASP R  72      69.822 241.291  44.758  1.00 19.83           O  
-ATOM  28718  CB  ASP R  72      68.585 243.733  43.746  1.00 22.17           C  
-ATOM  28719  CG  ASP R  72      69.977 244.243  43.582  1.00 26.13           C  
-ATOM  28720  OD1 ASP R  72      70.492 244.842  44.559  1.00 29.79           O  
-ATOM  28721  OD2 ASP R  72      70.651 244.049  42.540  1.00 31.43           O  
-ATOM  28722  N   GLN R  73      70.057 242.319  46.743  1.00 18.37           N  
-ATOM  28723  CA  GLN R  73      71.056 241.397  47.304  1.00 17.42           C  
-ATOM  28724  C   GLN R  73      70.909 241.282  48.808  1.00 16.13           C  
-ATOM  28725  O   GLN R  73      70.533 242.232  49.458  1.00 15.31           O  
-ATOM  28726  CB  GLN R  73      72.478 241.875  47.045  1.00 17.42           C  
-ATOM  28727  CG  GLN R  73      72.958 241.661  45.651  1.00 20.65           C  
-ATOM  28728  CD  GLN R  73      74.420 242.049  45.467  1.00 22.67           C  
-ATOM  28729  OE1 GLN R  73      75.285 241.711  46.301  1.00 24.08           O  
-ATOM  28730  NE2 GLN R  73      74.703 242.716  44.364  1.00 19.98           N  
-ATOM  28731  N   VAL R  74      71.239 240.117  49.354  1.00 14.79           N  
-ATOM  28732  CA  VAL R  74      71.292 239.902  50.789  1.00 14.02           C  
-ATOM  28733  C   VAL R  74      72.468 238.957  51.186  1.00 14.52           C  
-ATOM  28734  O   VAL R  74      72.905 238.102  50.395  1.00 13.51           O  
-ATOM  28735  CB  VAL R  74      69.976 239.321  51.356  1.00 14.18           C  
-ATOM  28736  CG1 VAL R  74      68.812 240.329  51.345  1.00 12.94           C  
-ATOM  28737  CG2 VAL R  74      69.601 237.988  50.683  1.00 12.11           C  
-ATOM  28738  N   SER R  75      72.956 239.121  52.412  1.00 13.82           N  
-ATOM  28739  CA  SER R  75      73.860 238.140  53.008  1.00 14.89           C  
-ATOM  28740  C   SER R  75      73.095 237.016  53.717  1.00 15.20           C  
-ATOM  28741  O   SER R  75      72.225 237.276  54.495  1.00 15.33           O  
-ATOM  28742  CB  SER R  75      74.786 238.841  54.001  1.00 14.71           C  
-ATOM  28743  OG  SER R  75      75.614 239.790  53.338  1.00 14.24           O  
-ATOM  28744  N   VAL R  76      73.439 235.764  53.430  1.00 15.60           N  
-ATOM  28745  CA  VAL R  76      72.686 234.610  53.911  1.00 15.44           C  
-ATOM  28746  C   VAL R  76      73.660 233.592  54.550  1.00 15.69           C  
-ATOM  28747  O   VAL R  76      74.688 233.311  53.973  1.00 15.24           O  
-ATOM  28748  CB  VAL R  76      71.916 233.934  52.744  1.00 15.90           C  
-ATOM  28749  CG1 VAL R  76      70.988 232.783  53.280  1.00 14.28           C  
-ATOM  28750  CG2 VAL R  76      71.105 234.979  51.939  1.00 14.21           C  
-ATOM  28751  N   PRO R  77      73.364 233.104  55.747  1.00 16.20           N  
-ATOM  28752  CA  PRO R  77      74.189 232.049  56.383  1.00 16.80           C  
-ATOM  28753  C   PRO R  77      74.197 230.822  55.467  1.00 16.54           C  
-ATOM  28754  O   PRO R  77      73.155 230.498  54.984  1.00 16.18           O  
-ATOM  28755  CB  PRO R  77      73.442 231.712  57.691  1.00 16.60           C  
-ATOM  28756  CG  PRO R  77      72.377 232.722  57.854  1.00 17.47           C  
-ATOM  28757  CD  PRO R  77      72.236 233.548  56.590  1.00 16.42           C  
-ATOM  28758  N   ILE R  78      75.340 230.221  55.194  1.00 17.35           N  
-ATOM  28759  CA  ILE R  78      75.381 229.129  54.223  1.00 18.87           C  
-ATOM  28760  C   ILE R  78      74.562 227.925  54.686  1.00 19.62           C  
-ATOM  28761  O   ILE R  78      74.185 227.098  53.850  1.00 20.13           O  
-ATOM  28762  CB  ILE R  78      76.830 228.684  53.875  1.00 19.44           C  
-ATOM  28763  CG1 ILE R  78      77.597 228.219  55.103  1.00 19.98           C  
-ATOM  28764  CG2 ILE R  78      77.581 229.748  53.153  1.00 18.24           C  
-ATOM  28765  CD1 ILE R  78      78.875 227.465  54.698  1.00 23.12           C  
-ATOM  28766  N   SER R  79      74.281 227.830  55.989  1.00 19.51           N  
-ATOM  28767  CA  SER R  79      73.399 226.755  56.486  1.00 20.98           C  
-ATOM  28768  C   SER R  79      71.964 226.852  55.913  1.00 20.69           C  
-ATOM  28769  O   SER R  79      71.215 225.883  55.919  1.00 20.57           O  
-ATOM  28770  CB  SER R  79      73.352 226.696  58.016  1.00 21.24           C  
-ATOM  28771  OG  SER R  79      72.674 227.801  58.560  1.00 24.13           O  
-ATOM  28772  N   SER R  80      71.594 228.027  55.407  1.00 20.48           N  
-ATOM  28773  CA  SER R  80      70.289 228.202  54.796  1.00 20.62           C  
-ATOM  28774  C   SER R  80      70.314 228.025  53.272  1.00 20.13           C  
-ATOM  28775  O   SER R  80      69.288 228.214  52.616  1.00 20.59           O  
-ATOM  28776  CB  SER R  80      69.719 229.590  55.139  1.00 20.66           C  
-ATOM  28777  OG  SER R  80      69.363 229.672  56.509  1.00 23.54           O  
-ATOM  28778  N   LEU R  81      71.460 227.659  52.713  1.00 19.39           N  
-ATOM  28779  CA  LEU R  81      71.611 227.536  51.260  1.00 19.27           C  
-ATOM  28780  C   LEU R  81      72.215 226.187  50.913  1.00 18.46           C  
-ATOM  28781  O   LEU R  81      73.013 225.654  51.677  1.00 17.96           O  
-ATOM  28782  CB  LEU R  81      72.606 228.579  50.727  1.00 20.09           C  
-ATOM  28783  CG  LEU R  81      72.390 230.073  50.934  1.00 21.40           C  
-ATOM  28784  CD1 LEU R  81      73.466 230.864  50.262  1.00 22.12           C  
-ATOM  28785  CD2 LEU R  81      71.044 230.376  50.323  1.00 24.21           C  
-ATOM  28786  N   TRP R  82      71.884 225.666  49.742  1.00 17.33           N  
-ATOM  28787  CA  TRP R  82      72.713 224.630  49.144  1.00 17.11           C  
-ATOM  28788  C   TRP R  82      74.030 225.270  48.725  1.00 17.51           C  
-ATOM  28789  O   TRP R  82      74.064 226.414  48.154  1.00 17.33           O  
-ATOM  28790  CB  TRP R  82      72.049 224.006  47.921  1.00 16.18           C  
-ATOM  28791  CG  TRP R  82      72.949 222.947  47.239  1.00 16.74           C  
-ATOM  28792  CD1 TRP R  82      73.055 221.628  47.565  1.00 15.16           C  
-ATOM  28793  CD2 TRP R  82      73.856 223.160  46.153  1.00 15.44           C  
-ATOM  28794  NE1 TRP R  82      73.955 220.994  46.748  1.00 15.78           N  
-ATOM  28795  CE2 TRP R  82      74.463 221.906  45.861  1.00 17.02           C  
-ATOM  28796  CE3 TRP R  82      74.218 224.275  45.394  1.00 14.86           C  
-ATOM  28797  CZ2 TRP R  82      75.408 221.743  44.844  1.00 14.54           C  
-ATOM  28798  CZ3 TRP R  82      75.153 224.125  44.385  1.00 15.35           C  
-ATOM  28799  CH2 TRP R  82      75.747 222.861  44.121  1.00 15.86           C  
-ATOM  28800  N   VAL R  83      75.101 224.533  48.983  1.00 17.59           N  
-ATOM  28801  CA  VAL R  83      76.465 224.973  48.663  1.00 18.32           C  
-ATOM  28802  C   VAL R  83      77.147 223.792  47.996  1.00 17.90           C  
-ATOM  28803  O   VAL R  83      76.934 222.686  48.422  1.00 18.58           O  
-ATOM  28804  CB  VAL R  83      77.218 225.407  49.985  1.00 18.77           C  
-ATOM  28805  CG1 VAL R  83      78.740 225.494  49.782  1.00 20.16           C  
-ATOM  28806  CG2 VAL R  83      76.688 226.759  50.433  1.00 18.82           C  
-ATOM  28807  N   PRO R  84      77.936 224.007  46.953  1.00 18.30           N  
-ATOM  28808  CA  PRO R  84      78.604 222.891  46.271  1.00 18.35           C  
-ATOM  28809  C   PRO R  84      79.526 222.155  47.230  1.00 17.85           C  
-ATOM  28810  O   PRO R  84      80.151 222.800  48.063  1.00 17.38           O  
-ATOM  28811  CB  PRO R  84      79.410 223.567  45.151  1.00 18.09           C  
-ATOM  28812  CG  PRO R  84      79.010 225.013  45.124  1.00 18.60           C  
-ATOM  28813  CD  PRO R  84      78.245 225.323  46.339  1.00 18.32           C  
-ATOM  28814  N   ASP R  85      79.612 220.828  47.096  1.00 17.13           N  
-ATOM  28815  CA  ASP R  85      80.389 220.004  48.017  1.00 16.89           C  
-ATOM  28816  C   ASP R  85      81.852 219.916  47.519  1.00 17.16           C  
-ATOM  28817  O   ASP R  85      82.373 218.817  47.255  1.00 15.93           O  
-ATOM  28818  CB  ASP R  85      79.739 218.633  48.159  1.00 16.54           C  
-ATOM  28819  CG  ASP R  85      79.734 217.852  46.856  1.00 18.93           C  
-ATOM  28820  OD1 ASP R  85      79.670 218.521  45.769  1.00 18.23           O  
-ATOM  28821  OD2 ASP R  85      79.824 216.596  46.808  1.00 19.41           O  
-ATOM  28822  N   LEU R  86      82.501 221.083  47.372  1.00 16.18           N  
-ATOM  28823  CA  LEU R  86      83.876 221.102  46.854  1.00 16.54           C  
-ATOM  28824  C   LEU R  86      84.904 220.598  47.843  1.00 16.68           C  
-ATOM  28825  O   LEU R  86      84.789 220.810  49.063  1.00 17.28           O  
-ATOM  28826  CB  LEU R  86      84.265 222.497  46.370  1.00 16.63           C  
-ATOM  28827  CG  LEU R  86      83.369 223.088  45.282  1.00 16.80           C  
-ATOM  28828  CD1 LEU R  86      83.886 224.448  44.885  1.00 16.83           C  
-ATOM  28829  CD2 LEU R  86      83.311 222.165  44.040  1.00 15.22           C  
-ATOM  28830  N   ALA R  87      85.904 219.906  47.334  1.00 16.40           N  
-ATOM  28831  CA  ALA R  87      86.989 219.470  48.192  1.00 16.91           C  
-ATOM  28832  C   ALA R  87      88.323 219.576  47.462  1.00 16.95           C  
-ATOM  28833  O   ALA R  87      88.377 219.383  46.244  1.00 17.14           O  
-ATOM  28834  CB  ALA R  87      86.739 218.033  48.687  1.00 16.44           C  
-ATOM  28835  N   ALA R  88      89.398 219.851  48.192  1.00 16.94           N  
-ATOM  28836  CA  ALA R  88      90.723 219.842  47.561  1.00 17.13           C  
-ATOM  28837  C   ALA R  88      91.253 218.430  47.702  1.00 17.01           C  
-ATOM  28838  O   ALA R  88      91.420 217.975  48.808  1.00 16.91           O  
-ATOM  28839  CB  ALA R  88      91.642 220.839  48.213  1.00 17.10           C  
-ATOM  28840  N   TYR R  89      91.504 217.751  46.580  1.00 16.46           N  
-ATOM  28841  CA  TYR R  89      91.949 216.341  46.572  1.00 16.69           C  
-ATOM  28842  C   TYR R  89      93.339 216.098  47.155  1.00 16.53           C  
-ATOM  28843  O   TYR R  89      93.639 214.980  47.595  1.00 16.63           O  
-ATOM  28844  CB  TYR R  89      91.983 215.795  45.141  1.00 16.63           C  
-ATOM  28845  CG  TYR R  89      90.660 215.408  44.567  1.00 17.69           C  
-ATOM  28846  CD1 TYR R  89      89.648 216.359  44.378  1.00 18.35           C  
-ATOM  28847  CD2 TYR R  89      90.400 214.072  44.185  1.00 18.40           C  
-ATOM  28848  CE1 TYR R  89      88.439 216.020  43.831  1.00 20.82           C  
-ATOM  28849  CE2 TYR R  89      89.169 213.721  43.618  1.00 19.11           C  
-ATOM  28850  CZ  TYR R  89      88.193 214.702  43.447  1.00 22.12           C  
-ATOM  28851  OH  TYR R  89      86.950 214.390  42.904  1.00 24.09           O  
-ATOM  28852  N   ASN R  90      94.203 217.118  47.142  1.00 15.29           N  
-ATOM  28853  CA  ASN R  90      95.532 216.971  47.744  1.00 15.11           C  
-ATOM  28854  C   ASN R  90      95.673 217.708  49.072  1.00 14.97           C  
-ATOM  28855  O   ASN R  90      96.766 217.936  49.530  1.00 15.07           O  
-ATOM  28856  CB  ASN R  90      96.664 217.302  46.760  1.00 14.58           C  
-ATOM  28857  CG  ASN R  90      96.542 218.727  46.192  1.00 16.15           C  
-ATOM  28858  OD1 ASN R  90      95.437 219.205  45.891  1.00 16.01           O  
-ATOM  28859  ND2 ASN R  90      97.671 219.418  46.089  1.00 14.09           N  
-ATOM  28860  N   ALA R  91      94.552 218.081  49.699  1.00 14.87           N  
-ATOM  28861  CA  ALA R  91      94.586 218.645  51.064  1.00 14.87           C  
-ATOM  28862  C   ALA R  91      94.956 217.570  52.077  1.00 14.93           C  
-ATOM  28863  O   ALA R  91      94.490 216.417  51.997  1.00 14.64           O  
-ATOM  28864  CB  ALA R  91      93.231 219.232  51.445  1.00 14.93           C  
-ATOM  28865  N   ILE R  92      95.795 217.941  53.025  1.00 14.87           N  
-ATOM  28866  CA  ILE R  92      96.220 217.043  54.083  1.00 15.85           C  
-ATOM  28867  C   ILE R  92      95.824 217.629  55.457  1.00 16.69           C  
-ATOM  28868  O   ILE R  92      96.301 217.188  56.499  1.00 16.63           O  
-ATOM  28869  CB  ILE R  92      97.759 216.803  54.010  1.00 16.09           C  
-ATOM  28870  CG1 ILE R  92      98.527 218.124  54.071  1.00 15.72           C  
-ATOM  28871  CG2 ILE R  92      98.139 216.029  52.763  1.00 15.09           C  
-ATOM  28872  CD1 ILE R  92     100.025 217.982  54.342  1.00 15.36           C  
-ATOM  28873  N   SER R  93      94.971 218.645  55.449  1.00 16.93           N  
-ATOM  28874  CA  SER R  93      94.357 219.105  56.666  1.00 18.28           C  
-ATOM  28875  C   SER R  93      92.949 219.531  56.277  1.00 18.84           C  
-ATOM  28876  O   SER R  93      92.672 219.801  55.103  1.00 18.74           O  
-ATOM  28877  CB  SER R  93      95.156 220.272  57.299  1.00 18.02           C  
-ATOM  28878  OG  SER R  93      94.988 221.477  56.551  1.00 18.23           O  
-ATOM  28879  N   LYS R  94      92.069 219.568  57.262  1.00 20.12           N  
-ATOM  28880  CA  LYS R  94      90.730 220.096  57.029  1.00 22.52           C  
-ATOM  28881  C   LYS R  94      90.784 221.605  56.759  1.00 21.38           C  
-ATOM  28882  O   LYS R  94      91.673 222.309  57.252  1.00 20.42           O  
-ATOM  28883  CB  LYS R  94      89.743 219.702  58.142  1.00 23.72           C  
-ATOM  28884  CG  LYS R  94      90.024 220.216  59.521  1.00 26.52           C  
-ATOM  28885  CD  LYS R  94      88.990 219.618  60.562  1.00 31.48           C  
-ATOM  28886  CE  LYS R  94      87.566 219.323  59.996  1.00 33.35           C  
-ATOM  28887  NZ  LYS R  94      86.849 220.502  59.351  1.00 34.68           N  
-ATOM  28888  N   PRO R  95      89.920 222.062  55.876  1.00 21.35           N  
-ATOM  28889  CA  PRO R  95      89.844 223.490  55.591  1.00 21.88           C  
-ATOM  28890  C   PRO R  95      89.505 224.238  56.883  1.00 21.66           C  
-ATOM  28891  O   PRO R  95      88.513 223.927  57.558  1.00 22.23           O  
-ATOM  28892  CB  PRO R  95      88.730 223.586  54.548  1.00 21.04           C  
-ATOM  28893  CG  PRO R  95      87.965 222.418  54.711  1.00 21.83           C  
-ATOM  28894  CD  PRO R  95      88.926 221.306  55.103  1.00 21.62           C  
-ATOM  28895  N   GLU R  96      90.375 225.159  57.264  1.00 21.79           N  
-ATOM  28896  CA  GLU R  96      90.062 226.082  58.349  1.00 22.50           C  
-ATOM  28897  C   GLU R  96      89.478 227.385  57.745  1.00 21.67           C  
-ATOM  28898  O   GLU R  96      90.195 228.165  57.082  1.00 21.22           O  
-ATOM  28899  CB  GLU R  96      91.326 226.361  59.125  1.00 23.14           C  
-ATOM  28900  CG  GLU R  96      91.188 227.061  60.462  1.00 28.31           C  
-ATOM  28901  CD  GLU R  96      92.566 227.282  61.115  1.00 35.32           C  
-ATOM  28902  OE1 GLU R  96      93.476 226.452  60.837  1.00 38.76           O  
-ATOM  28903  OE2 GLU R  96      92.762 228.261  61.907  1.00 38.59           O  
-ATOM  28904  N   VAL R  97      88.179 227.589  57.958  1.00 20.61           N  
-ATOM  28905  CA  VAL R  97      87.487 228.792  57.507  1.00 19.43           C  
-ATOM  28906  C   VAL R  97      87.727 229.939  58.480  1.00 19.38           C  
-ATOM  28907  O   VAL R  97      87.377 229.870  59.654  1.00 18.02           O  
-ATOM  28908  CB  VAL R  97      85.955 228.565  57.351  1.00 19.97           C  
-ATOM  28909  CG1 VAL R  97      85.300 229.822  56.758  1.00 18.60           C  
-ATOM  28910  CG2 VAL R  97      85.671 227.314  56.445  1.00 18.76           C  
-ATOM  28911  N   LEU R  98      88.321 231.012  57.977  1.00 18.51           N  
-ATOM  28912  CA  LEU R  98      88.698 232.118  58.836  1.00 18.69           C  
-ATOM  28913  C   LEU R  98      87.631 233.204  58.931  1.00 18.38           C  
-ATOM  28914  O   LEU R  98      87.713 234.036  59.794  1.00 18.94           O  
-ATOM  28915  CB  LEU R  98      90.041 232.717  58.360  1.00 18.90           C  
-ATOM  28916  CG  LEU R  98      91.188 231.708  58.129  1.00 19.68           C  
-ATOM  28917  CD1 LEU R  98      92.347 232.429  57.543  1.00 19.10           C  
-ATOM  28918  CD2 LEU R  98      91.592 231.001  59.426  1.00 19.88           C  
-ATOM  28919  N   THR R  99      86.616 233.164  58.072  1.00 17.73           N  
-ATOM  28920  CA  THR R  99      85.699 234.286  57.935  1.00 17.98           C  
-ATOM  28921  C   THR R  99      84.275 233.915  58.292  1.00 18.19           C  
-ATOM  28922  O   THR R  99      83.978 232.728  58.382  1.00 18.38           O  
-ATOM  28923  CB  THR R  99      85.748 234.832  56.502  1.00 17.96           C  
-ATOM  28924  OG1 THR R  99      85.836 233.747  55.597  1.00 16.70           O  
-ATOM  28925  CG2 THR R  99      87.050 235.616  56.278  1.00 16.49           C  
-ATOM  28926  N   PRO R 100      83.394 234.906  58.542  1.00 18.69           N  
-ATOM  28927  CA  PRO R 100      81.958 234.607  58.751  1.00 18.06           C  
-ATOM  28928  C   PRO R 100      81.389 233.821  57.582  1.00 18.78           C  
-ATOM  28929  O   PRO R 100      81.611 234.211  56.415  1.00 17.97           O  
-ATOM  28930  CB  PRO R 100      81.312 235.984  58.838  1.00 18.31           C  
-ATOM  28931  CG  PRO R 100      82.454 236.912  59.288  1.00 18.78           C  
-ATOM  28932  CD  PRO R 100      83.698 236.350  58.728  1.00 17.78           C  
-ATOM  28933  N   GLN R 101      80.645 232.752  57.891  1.00 18.33           N  
-ATOM  28934  CA  GLN R 101      80.149 231.853  56.858  1.00 19.37           C  
-ATOM  28935  C   GLN R 101      78.834 232.332  56.237  1.00 18.85           C  
-ATOM  28936  O   GLN R 101      77.767 231.736  56.436  1.00 18.93           O  
-ATOM  28937  CB  GLN R 101      80.090 230.411  57.385  1.00 19.17           C  
-ATOM  28938  CG  GLN R 101      81.498 229.817  57.590  1.00 23.37           C  
-ATOM  28939  CD  GLN R 101      81.509 228.479  58.332  1.00 29.09           C  
-ATOM  28940  OE1 GLN R 101      80.757 227.561  57.955  1.00 31.70           O  
-ATOM  28941  NE2 GLN R 101      82.359 228.352  59.373  1.00 29.11           N  
-ATOM  28942  N   LEU R 102      78.941 233.404  55.455  1.00 18.16           N  
-ATOM  28943  CA  LEU R 102      77.799 234.059  54.816  1.00 17.55           C  
-ATOM  28944  C   LEU R 102      78.029 234.131  53.327  1.00 16.96           C  
-ATOM  28945  O   LEU R 102      79.142 234.387  52.870  1.00 16.46           O  
-ATOM  28946  CB  LEU R 102      77.592 235.489  55.365  1.00 17.76           C  
-ATOM  28947  CG  LEU R 102      77.416 235.689  56.882  1.00 20.18           C  
-ATOM  28948  CD1 LEU R 102      77.293 237.193  57.261  1.00 21.13           C  
-ATOM  28949  CD2 LEU R 102      76.189 234.958  57.382  1.00 19.91           C  
-ATOM  28950  N   ALA R 103      76.973 233.906  52.567  1.00 15.83           N  
-ATOM  28951  CA  ALA R 103      77.065 233.994  51.130  1.00 16.45           C  
-ATOM  28952  C   ALA R 103      76.250 235.245  50.692  1.00 16.94           C  
-ATOM  28953  O   ALA R 103      75.299 235.688  51.359  1.00 16.98           O  
-ATOM  28954  CB  ALA R 103      76.529 232.770  50.487  1.00 16.12           C  
-ATOM  28955  N   ARG R 104      76.660 235.829  49.590  1.00 16.36           N  
-ATOM  28956  CA  ARG R 104      75.909 236.914  49.059  1.00 15.80           C  
-ATOM  28957  C   ARG R 104      74.994 236.357  47.967  1.00 15.64           C  
-ATOM  28958  O   ARG R 104      75.475 235.655  47.082  1.00 15.47           O  
-ATOM  28959  CB  ARG R 104      76.901 237.934  48.508  1.00 16.17           C  
-ATOM  28960  CG  ARG R 104      76.305 239.264  48.306  1.00 17.69           C  
-ATOM  28961  CD  ARG R 104      76.068 240.035  49.592  1.00 17.42           C  
-ATOM  28962  NE  ARG R 104      75.553 241.329  49.191  1.00 16.21           N  
-ATOM  28963  CZ  ARG R 104      75.019 242.225  50.010  1.00 17.47           C  
-ATOM  28964  NH1 ARG R 104      74.913 241.960  51.342  1.00 13.87           N  
-ATOM  28965  NH2 ARG R 104      74.562 243.366  49.492  1.00 14.02           N  
-ATOM  28966  N   VAL R 105      73.694 236.662  48.055  1.00 14.92           N  
-ATOM  28967  CA  VAL R 105      72.672 236.174  47.142  1.00 14.24           C  
-ATOM  28968  C   VAL R 105      72.040 237.353  46.425  1.00 14.60           C  
-ATOM  28969  O   VAL R 105      71.576 238.298  47.053  1.00 14.21           O  
-ATOM  28970  CB  VAL R 105      71.583 235.321  47.907  1.00 14.92           C  
-ATOM  28971  CG1 VAL R 105      70.516 234.800  46.941  1.00 14.02           C  
-ATOM  28972  CG2 VAL R 105      72.256 234.150  48.726  1.00 14.40           C  
-ATOM  28973  N   VAL R 106      72.065 237.312  45.098  1.00 14.33           N  
-ATOM  28974  CA  VAL R 106      71.402 238.284  44.244  1.00 14.46           C  
-ATOM  28975  C   VAL R 106      69.971 237.830  43.913  1.00 14.51           C  
-ATOM  28976  O   VAL R 106      69.655 236.600  43.901  1.00 13.71           O  
-ATOM  28977  CB  VAL R 106      72.279 238.543  42.963  1.00 14.73           C  
-ATOM  28978  CG1 VAL R 106      71.746 239.665  42.093  1.00 13.15           C  
-ATOM  28979  CG2 VAL R 106      73.701 238.861  43.372  1.00 14.90           C  
-ATOM  28980  N   SER R 107      69.105 238.800  43.665  1.00 14.19           N  
-ATOM  28981  CA  SER R 107      67.667 238.507  43.477  1.00 15.16           C  
-ATOM  28982  C   SER R 107      67.347 237.587  42.288  1.00 15.58           C  
-ATOM  28983  O   SER R 107      66.265 237.032  42.239  1.00 15.46           O  
-ATOM  28984  CB  SER R 107      66.869 239.800  43.354  1.00 14.94           C  
-ATOM  28985  OG  SER R 107      67.186 240.429  42.122  1.00 14.78           O  
-ATOM  28986  N   ASP R 108      68.282 237.421  41.352  1.00 16.38           N  
-ATOM  28987  CA  ASP R 108      68.090 236.456  40.264  1.00 17.90           C  
-ATOM  28988  C   ASP R 108      68.548 235.029  40.630  1.00 17.49           C  
-ATOM  28989  O   ASP R 108      68.446 234.103  39.817  1.00 17.60           O  
-ATOM  28990  CB  ASP R 108      68.754 236.931  38.956  1.00 18.13           C  
-ATOM  28991  CG  ASP R 108      70.273 237.129  39.087  1.00 21.33           C  
-ATOM  28992  OD1 ASP R 108      70.869 236.787  40.142  1.00 23.24           O  
-ATOM  28993  OD2 ASP R 108      70.969 237.611  38.164  1.00 24.49           O  
-ATOM  28994  N   GLY R 109      69.059 234.857  41.846  1.00 17.42           N  
-ATOM  28995  CA  GLY R 109      69.485 233.538  42.292  1.00 17.43           C  
-ATOM  28996  C   GLY R 109      70.985 233.273  42.159  1.00 17.75           C  
-ATOM  28997  O   GLY R 109      71.459 232.169  42.468  1.00 17.66           O  
-ATOM  28998  N   GLU R 110      71.751 234.273  41.730  1.00 17.56           N  
-ATOM  28999  CA  GLU R 110      73.216 234.145  41.712  1.00 18.35           C  
-ATOM  29000  C   GLU R 110      73.742 234.193  43.134  1.00 17.45           C  
-ATOM  29001  O   GLU R 110      73.293 235.005  43.976  1.00 17.16           O  
-ATOM  29002  CB  GLU R 110      73.898 235.251  40.898  1.00 18.86           C  
-ATOM  29003  CG  GLU R 110      73.664 235.203  39.385  1.00 24.24           C  
-ATOM  29004  CD  GLU R 110      74.107 233.890  38.738  1.00 31.20           C  
-ATOM  29005  OE1 GLU R 110      75.270 233.447  38.948  1.00 33.44           O  
-ATOM  29006  OE2 GLU R 110      73.275 233.292  38.027  1.00 34.40           O  
-ATOM  29007  N   VAL R 111      74.691 233.326  43.420  1.00 16.63           N  
-ATOM  29008  CA  VAL R 111      75.249 233.251  44.776  1.00 16.09           C  
-ATOM  29009  C   VAL R 111      76.765 233.434  44.708  1.00 15.98           C  
-ATOM  29010  O   VAL R 111      77.410 232.895  43.869  1.00 15.28           O  
-ATOM  29011  CB  VAL R 111      74.922 231.907  45.469  1.00 15.97           C  
-ATOM  29012  CG1 VAL R 111      75.354 231.921  46.907  1.00 15.25           C  
-ATOM  29013  CG2 VAL R 111      73.467 231.574  45.360  1.00 14.31           C  
-ATOM  29014  N   LEU R 112      77.314 234.213  45.628  1.00 16.38           N  
-ATOM  29015  CA  LEU R 112      78.749 234.307  45.803  1.00 16.38           C  
-ATOM  29016  C   LEU R 112      79.086 233.915  47.225  1.00 16.58           C  
-ATOM  29017  O   LEU R 112      78.646 234.560  48.171  1.00 15.88           O  
-ATOM  29018  CB  LEU R 112      79.231 235.733  45.518  1.00 16.73           C  
-ATOM  29019  CG  LEU R 112      80.693 236.068  45.910  1.00 18.57           C  
-ATOM  29020  CD1 LEU R 112      81.723 235.172  45.201  1.00 15.85           C  
-ATOM  29021  CD2 LEU R 112      80.974 237.561  45.623  1.00 19.81           C  
-ATOM  29022  N   TYR R 113      79.846 232.832  47.377  1.00 16.80           N  
-ATOM  29023  CA  TYR R 113      80.381 232.435  48.651  1.00 17.14           C  
-ATOM  29024  C   TYR R 113      81.913 232.509  48.523  1.00 16.99           C  
-ATOM  29025  O   TYR R 113      82.475 231.963  47.591  1.00 16.26           O  
-ATOM  29026  CB  TYR R 113      79.915 230.996  49.005  1.00 17.61           C  
-ATOM  29027  CG  TYR R 113      80.429 230.534  50.369  1.00 18.60           C  
-ATOM  29028  CD1 TYR R 113      80.422 231.409  51.474  1.00 20.23           C  
-ATOM  29029  CD2 TYR R 113      80.936 229.261  50.542  1.00 20.05           C  
-ATOM  29030  CE1 TYR R 113      80.935 231.004  52.730  1.00 21.79           C  
-ATOM  29031  CE2 TYR R 113      81.409 228.820  51.780  1.00 19.73           C  
-ATOM  29032  CZ  TYR R 113      81.409 229.708  52.869  1.00 22.84           C  
-ATOM  29033  OH  TYR R 113      81.915 229.259  54.087  1.00 26.75           O  
-ATOM  29034  N   MET R 114      82.574 233.193  49.456  1.00 16.73           N  
-ATOM  29035  CA  MET R 114      84.000 233.504  49.314  1.00 17.01           C  
-ATOM  29036  C   MET R 114      84.659 233.487  50.656  1.00 16.75           C  
-ATOM  29037  O   MET R 114      85.065 234.534  51.155  1.00 16.10           O  
-ATOM  29038  CB  MET R 114      84.226 234.879  48.596  1.00 18.14           C  
-ATOM  29039  CG  MET R 114      85.718 235.189  48.218  1.00 20.59           C  
-ATOM  29040  SD  MET R 114      86.034 236.436  46.886  1.00 27.70           S  
-ATOM  29041  CE  MET R 114      84.462 237.022  46.676  1.00 26.66           C  
-ATOM  29042  N   PRO R 115      84.774 232.291  51.261  1.00 16.37           N  
-ATOM  29043  CA  PRO R 115      85.441 232.152  52.567  1.00 16.43           C  
-ATOM  29044  C   PRO R 115      86.955 232.313  52.447  1.00 16.59           C  
-ATOM  29045  O   PRO R 115      87.518 232.011  51.380  1.00 16.57           O  
-ATOM  29046  CB  PRO R 115      85.120 230.689  52.971  1.00 16.31           C  
-ATOM  29047  CG  PRO R 115      84.959 229.958  51.651  1.00 16.21           C  
-ATOM  29048  CD  PRO R 115      84.342 230.985  50.721  1.00 16.15           C  
-ATOM  29049  N   SER R 116      87.595 232.812  53.500  1.00 16.37           N  
-ATOM  29050  CA  SER R 116      89.046 232.765  53.597  1.00 16.65           C  
-ATOM  29051  C   SER R 116      89.380 231.419  54.250  1.00 16.71           C  
-ATOM  29052  O   SER R 116      88.818 231.068  55.290  1.00 16.31           O  
-ATOM  29053  CB  SER R 116      89.583 233.881  54.480  1.00 16.43           C  
-ATOM  29054  OG  SER R 116      90.996 233.860  54.425  1.00 18.42           O  
-ATOM  29055  N   ILE R 117      90.280 230.675  53.637  1.00 16.79           N  
-ATOM  29056  CA  ILE R 117      90.573 229.352  54.096  1.00 17.27           C  
-ATOM  29057  C   ILE R 117      92.050 229.217  54.344  1.00 17.23           C  
-ATOM  29058  O   ILE R 117      92.853 229.625  53.524  1.00 17.35           O  
-ATOM  29059  CB  ILE R 117      90.059 228.308  53.069  1.00 18.06           C  
-ATOM  29060  CG1 ILE R 117      88.528 228.277  53.079  1.00 19.55           C  
-ATOM  29061  CG2 ILE R 117      90.630 226.913  53.357  1.00 17.69           C  
-ATOM  29062  CD1 ILE R 117      87.872 227.287  52.121  1.00 20.55           C  
-ATOM  29063  N   ARG R 118      92.396 228.667  55.500  1.00 17.23           N  
-ATOM  29064  CA  ARG R 118      93.740 228.159  55.747  1.00 17.58           C  
-ATOM  29065  C   ARG R 118      93.788 226.644  55.653  1.00 17.38           C  
-ATOM  29066  O   ARG R 118      93.008 225.959  56.317  1.00 17.36           O  
-ATOM  29067  CB  ARG R 118      94.231 228.547  57.135  1.00 17.68           C  
-ATOM  29068  CG  ARG R 118      95.677 228.184  57.309  1.00 19.23           C  
-ATOM  29069  CD  ARG R 118      96.233 228.455  58.664  1.00 23.02           C  
-ATOM  29070  NE  ARG R 118      97.669 228.145  58.720  1.00 26.42           N  
-ATOM  29071  CZ  ARG R 118      98.535 228.709  59.552  1.00 28.08           C  
-ATOM  29072  NH1 ARG R 118      98.147 229.649  60.411  1.00 28.10           N  
-ATOM  29073  NH2 ARG R 118      99.806 228.334  59.526  1.00 27.94           N  
-ATOM  29074  N   GLN R 119      94.701 226.114  54.842  1.00 16.82           N  
-ATOM  29075  CA  GLN R 119      94.728 224.669  54.610  1.00 16.52           C  
-ATOM  29076  C   GLN R 119      96.135 224.229  54.205  1.00 16.32           C  
-ATOM  29077  O   GLN R 119      96.907 225.020  53.636  1.00 15.89           O  
-ATOM  29078  CB  GLN R 119      93.703 224.288  53.526  1.00 16.75           C  
-ATOM  29079  CG  GLN R 119      93.346 222.814  53.475  1.00 16.85           C  
-ATOM  29080  CD  GLN R 119      92.063 222.524  52.688  1.00 18.07           C  
-ATOM  29081  OE1 GLN R 119      91.714 223.225  51.734  1.00 19.74           O  
-ATOM  29082  NE2 GLN R 119      91.376 221.449  53.082  1.00 18.37           N  
-ATOM  29083  N   ARG R 120      96.467 222.972  54.495  1.00 15.94           N  
-ATOM  29084  CA  ARG R 120      97.777 222.426  54.138  1.00 16.32           C  
-ATOM  29085  C   ARG R 120      97.603 221.465  52.957  1.00 15.98           C  
-ATOM  29086  O   ARG R 120      96.567 220.808  52.853  1.00 16.90           O  
-ATOM  29087  CB  ARG R 120      98.453 221.729  55.341  1.00 16.75           C  
-ATOM  29088  CG  ARG R 120      98.995 222.703  56.442  1.00 20.58           C  
-ATOM  29089  CD  ARG R 120      99.746 222.003  57.602  1.00 27.18           C  
-ATOM  29090  NE  ARG R 120      98.838 221.619  58.707  1.00 34.86           N  
-ATOM  29091  CZ  ARG R 120      98.669 220.358  59.154  1.00 38.50           C  
-ATOM  29092  NH1 ARG R 120      99.349 219.336  58.602  1.00 38.86           N  
-ATOM  29093  NH2 ARG R 120      97.815 220.120  60.146  1.00 37.96           N  
-ATOM  29094  N   PHE R 121      98.593 221.414  52.073  1.00 14.33           N  
-ATOM  29095  CA  PHE R 121      98.548 220.577  50.888  1.00 14.01           C  
-ATOM  29096  C   PHE R 121      99.833 219.809  50.625  1.00 13.53           C  
-ATOM  29097  O   PHE R 121     100.924 220.211  50.983  1.00 11.65           O  
-ATOM  29098  CB  PHE R 121      98.201 221.366  49.618  1.00 13.09           C  
-ATOM  29099  CG  PHE R 121      96.970 222.233  49.747  1.00 12.74           C  
-ATOM  29100  CD1 PHE R 121      95.726 221.742  49.400  1.00 11.46           C  
-ATOM  29101  CD2 PHE R 121      97.069 223.547  50.197  1.00  9.96           C  
-ATOM  29102  CE1 PHE R 121      94.603 222.515  49.522  1.00 14.19           C  
-ATOM  29103  CE2 PHE R 121      95.918 224.361  50.313  1.00 12.07           C  
-ATOM  29104  CZ  PHE R 121      94.699 223.853  49.961  1.00 15.46           C  
-ATOM  29105  N   SER R 122      99.661 218.681  49.956  1.00 15.12           N  
-ATOM  29106  CA  SER R 122     100.766 217.908  49.504  1.00 15.83           C  
-ATOM  29107  C   SER R 122     100.913 218.261  48.031  1.00 16.59           C  
-ATOM  29108  O   SER R 122      99.971 218.108  47.247  1.00 15.58           O  
-ATOM  29109  CB  SER R 122     100.474 216.424  49.698  1.00 15.64           C  
-ATOM  29110  OG  SER R 122     101.288 215.638  48.874  1.00 15.02           O  
-ATOM  29111  N   CYS R 123     102.107 218.751  47.680  1.00 17.56           N  
-ATOM  29112  CA  CYS R 123     102.397 219.201  46.335  1.00 19.51           C  
-ATOM  29113  C   CYS R 123     103.889 219.427  46.130  1.00 19.40           C  
-ATOM  29114  O   CYS R 123     104.670 219.383  47.077  1.00 19.15           O  
-ATOM  29115  CB  CYS R 123     101.613 220.477  46.016  1.00 20.36           C  
-ATOM  29116  SG  CYS R 123     102.046 221.913  47.073  1.00 25.53           S  
-ATOM  29117  N   ASP R 124     104.257 219.729  44.890  1.00 19.53           N  
-ATOM  29118  CA  ASP R 124     105.645 219.878  44.488  1.00 19.38           C  
-ATOM  29119  C   ASP R 124     106.267 221.186  44.971  1.00 19.30           C  
-ATOM  29120  O   ASP R 124     106.035 222.264  44.402  1.00 18.86           O  
-ATOM  29121  CB  ASP R 124     105.747 219.769  42.984  1.00 19.37           C  
-ATOM  29122  CG  ASP R 124     107.163 219.466  42.504  1.00 20.11           C  
-ATOM  29123  OD1 ASP R 124     108.095 219.378  43.329  1.00 19.41           O  
-ATOM  29124  OD2 ASP R 124     107.422 219.317  41.303  1.00 21.09           O  
-ATOM  29125  N   VAL R 125     107.071 221.067  46.019  1.00 18.79           N  
-ATOM  29126  CA  VAL R 125     107.729 222.218  46.619  1.00 18.71           C  
-ATOM  29127  C   VAL R 125     109.155 222.390  46.054  1.00 18.51           C  
-ATOM  29128  O   VAL R 125     109.838 223.376  46.352  1.00 18.41           O  
-ATOM  29129  CB  VAL R 125     107.679 222.129  48.184  1.00 18.90           C  
-ATOM  29130  CG1 VAL R 125     108.443 223.241  48.855  1.00 18.63           C  
-ATOM  29131  CG2 VAL R 125     106.216 222.131  48.651  1.00 18.24           C  
-ATOM  29132  N   SER R 126     109.589 221.466  45.195  1.00 18.12           N  
-ATOM  29133  CA  SER R 126     110.930 221.548  44.637  1.00 18.10           C  
-ATOM  29134  C   SER R 126     111.156 222.822  43.810  1.00 17.92           C  
-ATOM  29135  O   SER R 126     110.281 223.245  43.031  1.00 17.29           O  
-ATOM  29136  CB  SER R 126     111.284 220.295  43.824  1.00 18.08           C  
-ATOM  29137  OG  SER R 126     110.589 220.265  42.601  1.00 18.24           O  
-ATOM  29138  N   GLY R 127     112.345 223.405  43.981  1.00 17.43           N  
-ATOM  29139  CA  GLY R 127     112.709 224.641  43.344  1.00 17.30           C  
-ATOM  29140  C   GLY R 127     112.181 225.922  44.017  1.00 17.06           C  
-ATOM  29141  O   GLY R 127     112.372 226.997  43.458  1.00 17.07           O  
-ATOM  29142  N   VAL R 128     111.583 225.828  45.203  1.00 16.65           N  
-ATOM  29143  CA  VAL R 128     110.999 227.007  45.872  1.00 16.69           C  
-ATOM  29144  C   VAL R 128     112.028 228.133  46.140  1.00 16.40           C  
-ATOM  29145  O   VAL R 128     111.651 229.304  46.198  1.00 16.43           O  
-ATOM  29146  CB  VAL R 128     110.195 226.630  47.174  1.00 16.48           C  
-ATOM  29147  CG1 VAL R 128     111.112 226.157  48.294  1.00 16.48           C  
-ATOM  29148  CG2 VAL R 128     109.362 227.792  47.656  1.00 16.60           C  
-ATOM  29149  N   ASP R 129     113.303 227.765  46.280  1.00 13.92           N  
-ATOM  29150  CA  ASP R 129     114.382 228.713  46.585  1.00 13.72           C  
-ATOM  29151  C   ASP R 129     115.267 229.098  45.351  1.00 13.08           C  
-ATOM  29152  O   ASP R 129     116.396 229.588  45.504  1.00 11.95           O  
-ATOM  29153  CB  ASP R 129     115.247 228.185  47.762  1.00 13.53           C  
-ATOM  29154  CG  ASP R 129     115.645 229.290  48.767  1.00 13.48           C  
-ATOM  29155  OD1 ASP R 129     115.312 230.466  48.543  1.00 15.70           O  
-ATOM  29156  OD2 ASP R 129     116.312 229.083  49.811  1.00 10.86           O  
-ATOM  29157  N   THR R 130     114.740 228.874  44.145  1.00 13.09           N  
-ATOM  29158  CA  THR R 130     115.422 229.199  42.888  1.00 12.83           C  
-ATOM  29159  C   THR R 130     114.593 230.240  42.167  1.00 13.81           C  
-ATOM  29160  O   THR R 130     113.408 230.430  42.473  1.00 13.83           O  
-ATOM  29161  CB  THR R 130     115.522 227.960  41.981  1.00 13.09           C  
-ATOM  29162  OG1 THR R 130     114.218 227.618  41.482  1.00 12.21           O  
-ATOM  29163  CG2 THR R 130     115.925 226.730  42.770  1.00 13.50           C  
-ATOM  29164  N   GLU R 131     115.190 230.892  41.181  1.00 15.26           N  
-ATOM  29165  CA  GLU R 131     114.499 231.954  40.463  1.00 16.86           C  
-ATOM  29166  C   GLU R 131     113.219 231.530  39.729  1.00 17.43           C  
-ATOM  29167  O   GLU R 131     112.260 232.285  39.717  1.00 17.72           O  
-ATOM  29168  CB  GLU R 131     115.450 232.746  39.570  1.00 17.06           C  
-ATOM  29169  CG  GLU R 131     115.374 234.228  39.915  1.00 19.68           C  
-ATOM  29170  CD  GLU R 131     116.456 234.742  40.869  1.00 21.55           C  
-ATOM  29171  OE1 GLU R 131     116.871 234.042  41.842  1.00 19.31           O  
-ATOM  29172  OE2 GLU R 131     116.887 235.905  40.638  1.00 23.17           O  
-ATOM  29173  N   SER R 132     113.178 230.315  39.186  1.00 18.09           N  
-ATOM  29174  CA  SER R 132     111.959 229.834  38.530  1.00 18.84           C  
-ATOM  29175  C   SER R 132     110.908 229.338  39.515  1.00 18.65           C  
-ATOM  29176  O   SER R 132     109.740 229.186  39.157  1.00 18.65           O  
-ATOM  29177  CB  SER R 132     112.253 228.783  37.446  1.00 19.24           C  
-ATOM  29178  OG  SER R 132     113.017 227.716  37.953  1.00 21.26           O  
-ATOM  29179  N   GLY R 133     111.314 229.109  40.763  1.00 18.55           N  
-ATOM  29180  CA  GLY R 133     110.365 228.831  41.832  1.00 17.94           C  
-ATOM  29181  C   GLY R 133     109.770 227.428  41.786  1.00 18.03           C  
-ATOM  29182  O   GLY R 133     110.106 226.619  40.915  1.00 16.85           O  
-ATOM  29183  N   ALA R 134     108.875 227.163  42.736  1.00 17.94           N  
-ATOM  29184  CA  ALA R 134     108.155 225.906  42.820  1.00 18.58           C  
-ATOM  29185  C   ALA R 134     106.802 226.087  42.147  1.00 19.23           C  
-ATOM  29186  O   ALA R 134     106.319 227.198  42.029  1.00 18.79           O  
-ATOM  29187  CB  ALA R 134     107.965 225.490  44.255  1.00 18.14           C  
-ATOM  29188  N   THR R 135     106.211 224.985  41.698  1.00 19.69           N  
-ATOM  29189  CA  THR R 135     104.826 225.005  41.223  1.00 20.77           C  
-ATOM  29190  C   THR R 135     103.993 223.974  41.973  1.00 21.32           C  
-ATOM  29191  O   THR R 135     104.135 222.759  41.758  1.00 21.51           O  
-ATOM  29192  CB  THR R 135     104.760 224.764  39.680  1.00 20.90           C  
-ATOM  29193  OG1 THR R 135     105.549 225.757  39.017  1.00 21.23           O  
-ATOM  29194  CG2 THR R 135     103.369 225.030  39.140  1.00 20.24           C  
-ATOM  29195  N   CYS R 136     103.143 224.476  42.854  1.00 21.65           N  
-ATOM  29196  CA  CYS R 136     102.267 223.665  43.691  1.00 22.70           C  
-ATOM  29197  C   CYS R 136     100.888 223.634  43.040  1.00 22.52           C  
-ATOM  29198  O   CYS R 136     100.268 224.680  42.761  1.00 22.40           O  
-ATOM  29199  CB  CYS R 136     102.189 224.271  45.098  1.00 22.74           C  
-ATOM  29200  SG  CYS R 136     101.035 223.486  46.232  1.00 28.90           S  
-ATOM  29201  N   ARG R 137     100.409 222.427  42.784  1.00 21.99           N  
-ATOM  29202  CA  ARG R 137      99.139 222.252  42.108  1.00 21.57           C  
-ATOM  29203  C   ARG R 137      98.064 221.902  43.107  1.00 20.46           C  
-ATOM  29204  O   ARG R 137      98.218 220.948  43.854  1.00 20.29           O  
-ATOM  29205  CB  ARG R 137      99.269 221.120  41.089  1.00 21.82           C  
-ATOM  29206  CG  ARG R 137      98.608 221.416  39.799  1.00 25.39           C  
-ATOM  29207  CD  ARG R 137      98.786 220.330  38.739  1.00 30.30           C  
-ATOM  29208  NE  ARG R 137     100.094 219.673  38.835  1.00 32.79           N  
-ATOM  29209  CZ  ARG R 137     101.186 220.061  38.183  1.00 35.34           C  
-ATOM  29210  NH1 ARG R 137     101.158 221.119  37.364  1.00 35.54           N  
-ATOM  29211  NH2 ARG R 137     102.317 219.377  38.325  1.00 35.70           N  
-ATOM  29212  N   ILE R 138      96.963 222.645  43.109  1.00 19.26           N  
-ATOM  29213  CA  ILE R 138      95.834 222.339  43.999  1.00 18.49           C  
-ATOM  29214  C   ILE R 138      94.623 221.872  43.191  1.00 17.87           C  
-ATOM  29215  O   ILE R 138      94.175 222.573  42.308  1.00 17.51           O  
-ATOM  29216  CB  ILE R 138      95.487 223.557  44.842  1.00 18.10           C  
-ATOM  29217  CG1 ILE R 138      96.650 223.891  45.764  1.00 18.02           C  
-ATOM  29218  CG2 ILE R 138      94.186 223.293  45.651  1.00 18.13           C  
-ATOM  29219  CD1 ILE R 138      96.536 225.303  46.419  1.00 19.33           C  
-ATOM  29220  N   LYS R 139      94.119 220.672  43.487  1.00 17.10           N  
-ATOM  29221  CA  LYS R 139      93.040 220.110  42.685  1.00 16.96           C  
-ATOM  29222  C   LYS R 139      91.718 220.213  43.456  1.00 16.89           C  
-ATOM  29223  O   LYS R 139      91.642 219.741  44.594  1.00 17.18           O  
-ATOM  29224  CB  LYS R 139      93.379 218.671  42.312  1.00 16.84           C  
-ATOM  29225  CG  LYS R 139      92.259 217.868  41.665  1.00 17.11           C  
-ATOM  29226  CD  LYS R 139      92.722 216.429  41.321  1.00 18.20           C  
-ATOM  29227  CE  LYS R 139      91.509 215.508  41.018  1.00 19.30           C  
-ATOM  29228  NZ  LYS R 139      91.897 214.052  40.809  1.00 20.74           N  
-ATOM  29229  N   ILE R 140      90.703 220.837  42.858  1.00 16.31           N  
-ATOM  29230  CA  ILE R 140      89.430 221.076  43.550  1.00 16.53           C  
-ATOM  29231  C   ILE R 140      88.249 220.641  42.689  1.00 15.91           C  
-ATOM  29232  O   ILE R 140      88.168 220.996  41.505  1.00 15.48           O  
-ATOM  29233  CB  ILE R 140      89.278 222.562  43.923  1.00 16.99           C  
-ATOM  29234  CG1 ILE R 140      90.334 222.922  44.931  1.00 19.24           C  
-ATOM  29235  CG2 ILE R 140      87.872 222.844  44.569  1.00 16.54           C  
-ATOM  29236  CD1 ILE R 140      90.335 224.404  45.336  1.00 23.46           C  
-ATOM  29237  N   GLY R 141      87.347 219.869  43.272  1.00 14.63           N  
-ATOM  29238  CA  GLY R 141      86.142 219.467  42.544  1.00 14.19           C  
-ATOM  29239  C   GLY R 141      85.031 219.025  43.480  1.00 13.94           C  
-ATOM  29240  O   GLY R 141      85.220 218.941  44.696  1.00 14.05           O  
-ATOM  29241  N   SER R 142      83.856 218.787  42.946  1.00 13.01           N  
-ATOM  29242  CA  SER R 142      82.802 218.242  43.756  1.00 13.16           C  
-ATOM  29243  C   SER R 142      83.215 216.834  44.240  1.00 12.92           C  
-ATOM  29244  O   SER R 142      83.629 215.977  43.423  1.00 12.88           O  
-ATOM  29245  CB  SER R 142      81.491 218.159  42.961  1.00 13.63           C  
-ATOM  29246  OG  SER R 142      80.552 217.371  43.652  1.00 13.25           O  
-ATOM  29247  N   TRP R 143      83.099 216.604  45.537  1.00 11.43           N  
-ATOM  29248  CA  TRP R 143      83.376 215.311  46.108  1.00 11.69           C  
-ATOM  29249  C   TRP R 143      82.405 214.193  45.672  1.00 11.43           C  
-ATOM  29250  O   TRP R 143      82.822 213.054  45.486  1.00 12.15           O  
-ATOM  29251  CB  TRP R 143      83.411 215.403  47.642  1.00 11.34           C  
-ATOM  29252  CG  TRP R 143      84.126 214.218  48.227  1.00 11.96           C  
-ATOM  29253  CD1 TRP R 143      83.582 213.215  48.980  1.00 12.27           C  
-ATOM  29254  CD2 TRP R 143      85.504 213.877  48.042  1.00 11.59           C  
-ATOM  29255  NE1 TRP R 143      84.559 212.314  49.317  1.00 11.82           N  
-ATOM  29256  CE2 TRP R 143      85.744 212.700  48.753  1.00 10.66           C  
-ATOM  29257  CE3 TRP R 143      86.575 214.491  47.385  1.00 11.51           C  
-ATOM  29258  CZ2 TRP R 143      86.980 212.077  48.789  1.00 12.96           C  
-ATOM  29259  CZ3 TRP R 143      87.822 213.870  47.452  1.00 12.41           C  
-ATOM  29260  CH2 TRP R 143      87.995 212.661  48.133  1.00 12.75           C  
-ATOM  29261  N   THR R 144      81.115 214.503  45.538  1.00 11.03           N  
-ATOM  29262  CA  THR R 144      80.116 213.480  45.269  1.00 10.56           C  
-ATOM  29263  C   THR R 144      79.236 213.686  44.052  1.00 10.69           C  
-ATOM  29264  O   THR R 144      78.391 212.836  43.798  1.00 10.74           O  
-ATOM  29265  CB  THR R 144      79.185 213.269  46.480  1.00 10.89           C  
-ATOM  29266  OG1 THR R 144      78.328 214.401  46.635  1.00  9.58           O  
-ATOM  29267  CG2 THR R 144      79.967 213.202  47.799  1.00 10.85           C  
-ATOM  29268  N   HIS R 145      79.378 214.802  43.330  1.00 10.37           N  
-ATOM  29269  CA  HIS R 145      78.524 215.059  42.180  1.00 10.53           C  
-ATOM  29270  C   HIS R 145      79.320 214.959  40.895  1.00 10.40           C  
-ATOM  29271  O   HIS R 145      80.271 215.698  40.698  1.00 10.76           O  
-ATOM  29272  CB  HIS R 145      77.875 216.434  42.268  1.00 10.28           C  
-ATOM  29273  CG  HIS R 145      76.773 216.516  43.272  1.00 10.52           C  
-ATOM  29274  ND1 HIS R 145      76.913 217.013  44.519  1.00  9.74           N  
-ATOM  29275  CD2 HIS R 145      75.493 216.170  43.215  1.00  8.17           C  
-ATOM  29276  CE1 HIS R 145      75.776 216.984  45.189  1.00  9.79           C  
-ATOM  29277  NE2 HIS R 145      74.888 216.482  44.409  1.00 10.13           N  
-ATOM  29278  N   HIS R 146      78.935 214.037  40.036  1.00 10.02           N  
-ATOM  29279  CA  HIS R 146      79.643 213.837  38.778  1.00 10.60           C  
-ATOM  29280  C   HIS R 146      79.289 214.905  37.741  1.00 10.79           C  
-ATOM  29281  O   HIS R 146      78.463 215.801  38.018  1.00 10.40           O  
-ATOM  29282  CB  HIS R 146      79.368 212.448  38.257  1.00 10.39           C  
-ATOM  29283  CG  HIS R 146      77.932 212.194  37.945  1.00 11.48           C  
-ATOM  29284  ND1 HIS R 146      77.044 211.669  38.792  1.00 12.44           N  
-ATOM  29285  CD2 HIS R 146      77.229 212.335  36.843  1.00 11.44           C  
-ATOM  29286  CE1 HIS R 146      75.851 211.523  38.263  1.00 12.48           C  
-ATOM  29287  NE2 HIS R 146      75.936 211.934  37.063  1.00 12.54           N  
-ATOM  29288  N   SER R 147      79.899 214.791  36.558  1.00 11.02           N  
-ATOM  29289  CA  SER R 147      79.855 215.838  35.536  1.00 11.49           C  
-ATOM  29290  C   SER R 147      78.471 216.221  34.996  1.00 11.59           C  
-ATOM  29291  O   SER R 147      78.312 217.344  34.513  1.00 12.30           O  
-ATOM  29292  CB  SER R 147      80.805 215.529  34.387  1.00 11.07           C  
-ATOM  29293  OG  SER R 147      80.242 214.499  33.572  1.00 11.69           O  
-ATOM  29294  N   ARG R 148      77.482 215.335  35.101  1.00 11.61           N  
-ATOM  29295  CA  ARG R 148      76.112 215.706  34.731  1.00 12.05           C  
-ATOM  29296  C   ARG R 148      75.340 216.421  35.821  1.00 12.00           C  
-ATOM  29297  O   ARG R 148      74.183 216.779  35.614  1.00 12.32           O  
-ATOM  29298  CB  ARG R 148      75.316 214.493  34.248  1.00 12.58           C  
-ATOM  29299  CG  ARG R 148      75.996 213.773  33.112  1.00 14.18           C  
-ATOM  29300  CD  ARG R 148      75.180 212.644  32.520  1.00 19.30           C  
-ATOM  29301  NE  ARG R 148      75.040 211.555  33.484  1.00 21.89           N  
-ATOM  29302  CZ  ARG R 148      73.889 211.199  34.072  1.00 24.46           C  
-ATOM  29303  NH1 ARG R 148      72.739 211.846  33.795  1.00 22.93           N  
-ATOM  29304  NH2 ARG R 148      73.882 210.184  34.941  1.00 24.01           N  
-ATOM  29305  N   GLU R 149      75.974 216.639  36.964  1.00 11.69           N  
-ATOM  29306  CA  GLU R 149      75.310 217.232  38.103  1.00 11.91           C  
-ATOM  29307  C   GLU R 149      75.993 218.546  38.457  1.00 11.85           C  
-ATOM  29308  O   GLU R 149      75.316 219.501  38.735  1.00 11.29           O  
-ATOM  29309  CB  GLU R 149      75.303 216.235  39.269  1.00 11.47           C  
-ATOM  29310  CG  GLU R 149      74.189 215.202  39.119  1.00 12.89           C  
-ATOM  29311  CD  GLU R 149      74.176 214.172  40.250  1.00 16.53           C  
-ATOM  29312  OE1 GLU R 149      74.777 214.435  41.328  1.00 17.24           O  
-ATOM  29313  OE2 GLU R 149      73.594 213.083  40.059  1.00 17.18           O  
-ATOM  29314  N   ILE R 150      77.335 218.555  38.449  1.00 11.99           N  
-ATOM  29315  CA  ILE R 150      78.148 219.738  38.747  1.00 13.00           C  
-ATOM  29316  C   ILE R 150      79.270 219.813  37.733  1.00 14.19           C  
-ATOM  29317  O   ILE R 150      79.976 218.814  37.468  1.00 14.59           O  
-ATOM  29318  CB  ILE R 150      78.730 219.727  40.182  1.00 12.51           C  
-ATOM  29319  CG1 ILE R 150      77.628 219.945  41.222  1.00 11.84           C  
-ATOM  29320  CG2 ILE R 150      79.804 220.789  40.323  1.00 11.62           C  
-ATOM  29321  CD1 ILE R 150      78.165 220.135  42.707  1.00 11.34           C  
-ATOM  29322  N   SER R 151      79.385 220.958  37.099  1.00 15.09           N  
-ATOM  29323  CA  SER R 151      80.587 221.257  36.341  1.00 17.48           C  
-ATOM  29324  C   SER R 151      81.347 222.345  37.093  1.00 18.67           C  
-ATOM  29325  O   SER R 151      80.738 223.180  37.757  1.00 18.62           O  
-ATOM  29326  CB  SER R 151      80.261 221.708  34.914  1.00 17.41           C  
-ATOM  29327  OG  SER R 151      79.494 222.882  34.906  1.00 19.10           O  
-ATOM  29328  N   VAL R 152      82.670 222.274  37.045  1.00 20.27           N  
-ATOM  29329  CA  VAL R 152      83.503 223.266  37.678  1.00 22.31           C  
-ATOM  29330  C   VAL R 152      84.352 223.924  36.631  1.00 23.97           C  
-ATOM  29331  O   VAL R 152      84.947 223.264  35.787  1.00 24.00           O  
-ATOM  29332  CB  VAL R 152      84.372 222.714  38.823  1.00 22.66           C  
-ATOM  29333  CG1 VAL R 152      83.529 222.408  40.022  1.00 22.91           C  
-ATOM  29334  CG2 VAL R 152      85.141 221.482  38.419  1.00 23.22           C  
-ATOM  29335  N   ASP R 153      84.382 225.243  36.692  1.00 24.88           N  
-ATOM  29336  CA  ASP R 153      85.081 226.027  35.709  1.00 27.24           C  
-ATOM  29337  C   ASP R 153      85.882 227.072  36.484  1.00 27.75           C  
-ATOM  29338  O   ASP R 153      85.477 227.490  37.563  1.00 26.62           O  
-ATOM  29339  CB  ASP R 153      84.069 226.689  34.764  1.00 27.32           C  
-ATOM  29340  CG  ASP R 153      83.696 225.797  33.575  1.00 30.42           C  
-ATOM  29341  OD1 ASP R 153      84.631 225.391  32.854  1.00 35.39           O  
-ATOM  29342  OD2 ASP R 153      82.513 225.488  33.234  1.00 30.15           O  
-ATOM  29343  N   PRO R 154      87.033 227.474  35.969  1.00 29.23           N  
-ATOM  29344  CA  PRO R 154      87.720 228.635  36.561  1.00 31.04           C  
-ATOM  29345  C   PRO R 154      86.874 229.906  36.306  1.00 32.85           C  
-ATOM  29346  O   PRO R 154      86.299 230.024  35.221  1.00 32.28           O  
-ATOM  29347  CB  PRO R 154      89.054 228.690  35.808  1.00 29.93           C  
-ATOM  29348  CG  PRO R 154      89.134 227.381  35.056  1.00 29.47           C  
-ATOM  29349  CD  PRO R 154      87.758 226.905  34.816  1.00 28.80           C  
-ATOM  29350  N   THR R 155      86.775 230.789  37.302  1.00 35.37           N  
-ATOM  29351  CA  THR R 155      86.161 232.136  37.173  1.00 38.33           C  
-ATOM  29352  C   THR R 155      86.628 232.862  35.896  1.00 39.79           C  
-ATOM  29353  O   THR R 155      87.791 232.755  35.533  1.00 39.66           O  
-ATOM  29354  CB  THR R 155      86.495 233.006  38.432  1.00 38.01           C  
-ATOM  29355  OG1 THR R 155      86.254 232.243  39.621  1.00 39.44           O  
-ATOM  29356  CG2 THR R 155      85.526 234.164  38.587  1.00 38.11           C  
-ATOM  29357  N   THR R 156      85.721 233.580  35.228  1.00 42.65           N  
-ATOM  29358  CA  THR R 156      86.000 234.170  33.898  1.00 45.72           C  
-ATOM  29359  C   THR R 156      86.961 235.378  33.912  1.00 47.49           C  
-ATOM  29360  O   THR R 156      87.820 235.504  33.020  1.00 47.78           O  
-ATOM  29361  CB  THR R 156      84.675 234.540  33.131  1.00 45.94           C  
-ATOM  29362  OG1 THR R 156      83.847 233.381  32.976  1.00 46.23           O  
-ATOM  29363  CG2 THR R 156      84.961 234.956  31.661  1.00 45.95           C  
-ATOM  29364  N   GLU R 157      86.811 236.253  34.915  1.00 49.49           N  
-ATOM  29365  CA  GLU R 157      87.532 237.542  34.950  1.00 51.42           C  
-ATOM  29366  C   GLU R 157      88.835 237.516  35.775  1.00 52.15           C  
-ATOM  29367  O   GLU R 157      88.822 237.603  37.021  1.00 52.38           O  
-ATOM  29368  CB  GLU R 157      86.599 238.705  35.369  1.00 51.71           C  
-ATOM  29369  CG  GLU R 157      85.993 238.615  36.780  1.00 53.69           C  
-ATOM  29370  CD  GLU R 157      84.758 237.712  36.884  1.00 55.44           C  
-ATOM  29371  OE1 GLU R 157      84.206 237.311  35.830  1.00 55.59           O  
-ATOM  29372  OE2 GLU R 157      84.330 237.406  38.032  1.00 55.07           O  
-ATOM  29373  N   ASN R 158      89.957 237.397  35.066  1.00 52.67           N  
-ATOM  29374  CA  ASN R 158      91.266 237.316  35.715  1.00 53.10           C  
-ATOM  29375  C   ASN R 158      91.907 238.678  35.940  1.00 52.79           C  
-ATOM  29376  O   ASN R 158      92.143 239.438  34.975  1.00 52.96           O  
-ATOM  29377  CB  ASN R 158      92.224 236.425  34.911  1.00 53.69           C  
-ATOM  29378  CG  ASN R 158      92.289 234.991  35.443  1.00 55.00           C  
-ATOM  29379  OD1 ASN R 158      92.544 234.759  36.638  1.00 55.56           O  
-ATOM  29380  ND2 ASN R 158      92.072 234.018  34.547  1.00 55.90           N  
-ATOM  29381  N   SER R 159      92.174 238.992  37.211  1.00 51.99           N  
-ATOM  29382  CA  SER R 159      93.019 240.146  37.545  1.00 51.24           C  
-ATOM  29383  C   SER R 159      94.270 239.708  38.334  1.00 50.13           C  
-ATOM  29384  O   SER R 159      94.382 238.529  38.689  1.00 49.90           O  
-ATOM  29385  CB  SER R 159      92.217 241.255  38.245  1.00 51.41           C  
-ATOM  29386  OG  SER R 159      91.905 242.301  37.333  1.00 51.91           O  
-ATOM  29387  N   ASP R 160      95.196 240.650  38.576  1.00 48.54           N  
-ATOM  29388  CA  ASP R 160      96.520 240.376  39.172  1.00 46.81           C  
-ATOM  29389  C   ASP R 160      96.577 239.173  40.135  1.00 45.50           C  
-ATOM  29390  O   ASP R 160      95.806 239.099  41.108  1.00 45.26           O  
-ATOM  29391  CB  ASP R 160      97.069 241.630  39.864  1.00 46.91           C  
-ATOM  29392  CG  ASP R 160      98.572 241.545  40.135  1.00 47.56           C  
-ATOM  29393  OD1 ASP R 160      98.971 241.317  41.296  1.00 48.52           O  
-ATOM  29394  OD2 ASP R 160      99.442 241.700  39.253  1.00 49.08           O  
-ATOM  29395  N   ASP R 161      97.492 238.240  39.859  1.00 43.57           N  
-ATOM  29396  CA  ASP R 161      97.635 237.016  40.667  1.00 42.11           C  
-ATOM  29397  C   ASP R 161      97.998 237.301  42.139  1.00 40.69           C  
-ATOM  29398  O   ASP R 161      97.598 236.572  43.046  1.00 40.53           O  
-ATOM  29399  CB  ASP R 161      98.678 236.060  40.048  1.00 42.33           C  
-ATOM  29400  CG  ASP R 161      98.318 235.604  38.625  1.00 43.19           C  
-ATOM  29401  OD1 ASP R 161      97.148 235.192  38.400  1.00 43.20           O  
-ATOM  29402  OD2 ASP R 161      99.158 235.612  37.676  1.00 42.29           O  
-ATOM  29403  N   SER R 162      98.759 238.365  42.364  1.00 38.93           N  
-ATOM  29404  CA  SER R 162      99.168 238.753  43.711  1.00 37.04           C  
-ATOM  29405  C   SER R 162      98.450 240.030  44.209  1.00 35.56           C  
-ATOM  29406  O   SER R 162      98.942 240.745  45.093  1.00 34.91           O  
-ATOM  29407  CB  SER R 162     100.711 238.867  43.771  1.00 37.16           C  
-ATOM  29408  OG  SER R 162     101.125 240.165  44.131  1.00 35.96           O  
-ATOM  29409  N   GLU R 163      97.275 240.295  43.641  1.00 33.53           N  
-ATOM  29410  CA  GLU R 163      96.440 241.433  44.024  1.00 31.60           C  
-ATOM  29411  C   GLU R 163      96.183 241.518  45.533  1.00 29.70           C  
-ATOM  29412  O   GLU R 163      96.209 242.601  46.126  1.00 28.96           O  
-ATOM  29413  CB  GLU R 163      95.090 241.352  43.287  1.00 32.35           C  
-ATOM  29414  CG  GLU R 163      94.256 242.630  43.349  1.00 33.42           C  
-ATOM  29415  CD  GLU R 163      93.387 242.805  42.126  1.00 36.69           C  
-ATOM  29416  OE1 GLU R 163      92.411 242.033  41.992  1.00 35.10           O  
-ATOM  29417  OE2 GLU R 163      93.694 243.711  41.289  1.00 39.13           O  
-ATOM  29418  N   TYR R 164      95.909 240.370  46.141  1.00 27.21           N  
-ATOM  29419  CA  TYR R 164      95.561 240.348  47.546  1.00 25.32           C  
-ATOM  29420  C   TYR R 164      96.630 239.667  48.378  1.00 23.37           C  
-ATOM  29421  O   TYR R 164      96.492 239.594  49.596  1.00 22.65           O  
-ATOM  29422  CB  TYR R 164      94.105 239.820  47.754  1.00 26.02           C  
-ATOM  29423  CG  TYR R 164      93.113 240.717  46.979  1.00 27.41           C  
-ATOM  29424  CD1 TYR R 164      93.195 242.095  47.108  1.00 30.09           C  
-ATOM  29425  CD2 TYR R 164      92.179 240.200  46.072  1.00 28.01           C  
-ATOM  29426  CE1 TYR R 164      92.380 242.954  46.401  1.00 31.50           C  
-ATOM  29427  CE2 TYR R 164      91.318 241.079  45.336  1.00 27.78           C  
-ATOM  29428  CZ  TYR R 164      91.442 242.455  45.524  1.00 31.02           C  
-ATOM  29429  OH  TYR R 164      90.682 243.408  44.858  1.00 30.93           O  
-ATOM  29430  N   PHE R 165      97.713 239.230  47.718  1.00 21.54           N  
-ATOM  29431  CA  PHE R 165      98.803 238.523  48.388  1.00 19.55           C  
-ATOM  29432  C   PHE R 165      99.546 239.449  49.321  1.00 18.79           C  
-ATOM  29433  O   PHE R 165      99.895 240.582  48.970  1.00 18.51           O  
-ATOM  29434  CB  PHE R 165      99.757 237.877  47.398  1.00 19.13           C  
-ATOM  29435  CG  PHE R 165     100.646 236.848  48.014  1.00 18.50           C  
-ATOM  29436  CD1 PHE R 165     100.139 235.625  48.422  1.00 16.87           C  
-ATOM  29437  CD2 PHE R 165     102.006 237.126  48.216  1.00 17.04           C  
-ATOM  29438  CE1 PHE R 165     100.962 234.679  49.001  1.00 17.80           C  
-ATOM  29439  CE2 PHE R 165     102.829 236.185  48.804  1.00 17.29           C  
-ATOM  29440  CZ  PHE R 165     102.299 234.941  49.199  1.00 16.99           C  
-ATOM  29441  N   SER R 166      99.786 238.976  50.527  1.00 17.71           N  
-ATOM  29442  CA  SER R 166     100.517 239.756  51.522  1.00 17.26           C  
-ATOM  29443  C   SER R 166     101.950 240.202  51.131  1.00 16.67           C  
-ATOM  29444  O   SER R 166     102.805 239.404  50.798  1.00 15.79           O  
-ATOM  29445  CB  SER R 166     100.577 238.968  52.819  1.00 17.10           C  
-ATOM  29446  OG  SER R 166     101.195 239.738  53.806  1.00 16.88           O  
-ATOM  29447  N   GLN R 167     102.206 241.492  51.231  1.00 16.98           N  
-ATOM  29448  CA  GLN R 167     103.531 242.034  50.986  1.00 17.21           C  
-ATOM  29449  C   GLN R 167     104.500 241.655  52.112  1.00 17.09           C  
-ATOM  29450  O   GLN R 167     105.712 241.815  51.981  1.00 16.45           O  
-ATOM  29451  CB  GLN R 167     103.442 243.555  50.836  1.00 18.03           C  
-ATOM  29452  CG  GLN R 167     103.170 244.282  52.141  1.00 19.43           C  
-ATOM  29453  CD  GLN R 167     102.963 245.780  51.990  1.00 22.44           C  
-ATOM  29454  OE1 GLN R 167     103.926 246.538  51.841  1.00 22.58           O  
-ATOM  29455  NE2 GLN R 167     101.713 246.220  52.100  1.00 21.97           N  
-ATOM  29456  N   TYR R 168     103.968 241.094  53.199  1.00 17.05           N  
-ATOM  29457  CA  TYR R 168     104.811 240.691  54.328  1.00 16.99           C  
-ATOM  29458  C   TYR R 168     105.191 239.216  54.361  1.00 16.65           C  
-ATOM  29459  O   TYR R 168     106.026 238.810  55.166  1.00 16.78           O  
-ATOM  29460  CB  TYR R 168     104.178 241.124  55.643  1.00 17.30           C  
-ATOM  29461  CG  TYR R 168     103.909 242.602  55.676  1.00 16.99           C  
-ATOM  29462  CD1 TYR R 168     104.925 243.512  55.439  1.00 16.87           C  
-ATOM  29463  CD2 TYR R 168     102.623 243.088  55.882  1.00 16.86           C  
-ATOM  29464  CE1 TYR R 168     104.673 244.899  55.448  1.00 17.74           C  
-ATOM  29465  CE2 TYR R 168     102.355 244.461  55.892  1.00 16.49           C  
-ATOM  29466  CZ  TYR R 168     103.379 245.350  55.664  1.00 17.61           C  
-ATOM  29467  OH  TYR R 168     103.103 246.687  55.684  1.00 18.99           O  
-ATOM  29468  N   SER R 169     104.609 238.434  53.460  1.00 15.96           N  
-ATOM  29469  CA  SER R 169     105.015 237.043  53.237  1.00 15.69           C  
-ATOM  29470  C   SER R 169     106.495 236.931  52.927  1.00 15.84           C  
-ATOM  29471  O   SER R 169     107.115 237.876  52.415  1.00 15.31           O  
-ATOM  29472  CB  SER R 169     104.224 236.454  52.085  1.00 15.49           C  
-ATOM  29473  OG  SER R 169     104.461 235.062  51.940  1.00 15.95           O  
-ATOM  29474  N   ARG R 170     107.053 235.765  53.247  1.00 16.22           N  
-ATOM  29475  CA  ARG R 170     108.452 235.413  52.937  1.00 16.43           C  
-ATOM  29476  C   ARG R 170     108.565 234.943  51.477  1.00 15.85           C  
-ATOM  29477  O   ARG R 170     109.650 234.716  50.966  1.00 15.09           O  
-ATOM  29478  CB  ARG R 170     108.843 234.225  53.799  1.00 16.89           C  
-ATOM  29479  CG  ARG R 170     109.772 234.540  54.935  1.00 20.31           C  
-ATOM  29480  CD  ARG R 170     110.159 233.261  55.708  1.00 24.14           C  
-ATOM  29481  NE  ARG R 170     108.967 232.420  55.901  1.00 26.72           N  
-ATOM  29482  CZ  ARG R 170     108.997 231.143  56.271  1.00 27.83           C  
-ATOM  29483  NH1 ARG R 170     110.173 230.544  56.502  1.00 25.66           N  
-ATOM  29484  NH2 ARG R 170     107.845 230.480  56.413  1.00 25.42           N  
-ATOM  29485  N   PHE R 171     107.427 234.747  50.829  1.00 15.16           N  
-ATOM  29486  CA  PHE R 171     107.390 234.245  49.473  1.00 15.06           C  
-ATOM  29487  C   PHE R 171     106.775 235.294  48.555  1.00 15.41           C  
-ATOM  29488  O   PHE R 171     106.175 236.248  49.003  1.00 14.79           O  
-ATOM  29489  CB  PHE R 171     106.503 232.993  49.413  1.00 15.27           C  
-ATOM  29490  CG  PHE R 171     106.901 231.913  50.385  1.00 14.32           C  
-ATOM  29491  CD1 PHE R 171     106.457 231.949  51.697  1.00 16.47           C  
-ATOM  29492  CD2 PHE R 171     107.696 230.853  49.970  1.00 14.99           C  
-ATOM  29493  CE1 PHE R 171     106.812 230.952  52.601  1.00 17.86           C  
-ATOM  29494  CE2 PHE R 171     108.056 229.847  50.854  1.00 17.99           C  
-ATOM  29495  CZ  PHE R 171     107.610 229.890  52.173  1.00 18.51           C  
-ATOM  29496  N   GLU R 172     106.913 235.086  47.259  1.00 15.65           N  
-ATOM  29497  CA  GLU R 172     106.253 235.922  46.283  1.00 16.75           C  
-ATOM  29498  C   GLU R 172     105.671 235.012  45.224  1.00 17.00           C  
-ATOM  29499  O   GLU R 172     106.198 233.923  44.974  1.00 16.98           O  
-ATOM  29500  CB  GLU R 172     107.230 236.932  45.652  1.00 16.91           C  
-ATOM  29501  CG  GLU R 172     108.474 236.322  45.015  1.00 18.64           C  
-ATOM  29502  CD  GLU R 172     109.470 237.368  44.510  1.00 22.61           C  
-ATOM  29503  OE1 GLU R 172     109.073 238.551  44.363  1.00 24.93           O  
-ATOM  29504  OE2 GLU R 172     110.657 237.018  44.251  1.00 22.57           O  
-ATOM  29505  N   ILE R 173     104.584 235.465  44.602  1.00 17.28           N  
-ATOM  29506  CA  ILE R 173     103.882 234.683  43.598  1.00 17.77           C  
-ATOM  29507  C   ILE R 173     104.322 235.104  42.218  1.00 18.26           C  
-ATOM  29508  O   ILE R 173     104.291 236.296  41.867  1.00 18.02           O  
-ATOM  29509  CB  ILE R 173     102.391 234.856  43.743  1.00 18.08           C  
-ATOM  29510  CG1 ILE R 173     101.928 234.203  45.051  1.00 18.51           C  
-ATOM  29511  CG2 ILE R 173     101.664 234.317  42.502  1.00 18.24           C  
-ATOM  29512  CD1 ILE R 173     100.442 234.311  45.295  1.00 20.22           C  
-ATOM  29513  N   LEU R 174     104.779 234.128  41.443  1.00 18.47           N  
-ATOM  29514  CA  LEU R 174     105.243 234.418  40.090  1.00 19.19           C  
-ATOM  29515  C   LEU R 174     104.082 234.344  39.103  1.00 19.62           C  
-ATOM  29516  O   LEU R 174     103.974 235.171  38.196  1.00 19.47           O  
-ATOM  29517  CB  LEU R 174     106.404 233.492  39.679  1.00 18.94           C  
-ATOM  29518  CG  LEU R 174     107.620 233.538  40.615  1.00 19.25           C  
-ATOM  29519  CD1 LEU R 174     108.618 232.438  40.274  1.00 19.27           C  
-ATOM  29520  CD2 LEU R 174     108.277 234.916  40.602  1.00 18.95           C  
-ATOM  29521  N   ASP R 175     103.222 233.348  39.288  1.00 19.93           N  
-ATOM  29522  CA  ASP R 175     102.148 233.064  38.363  1.00 20.88           C  
-ATOM  29523  C   ASP R 175     101.102 232.117  38.960  1.00 20.98           C  
-ATOM  29524  O   ASP R 175     101.418 231.210  39.736  1.00 20.70           O  
-ATOM  29525  CB  ASP R 175     102.721 232.444  37.088  1.00 21.61           C  
-ATOM  29526  CG  ASP R 175     101.942 232.836  35.826  1.00 24.42           C  
-ATOM  29527  OD1 ASP R 175     100.816 233.404  35.916  1.00 26.64           O  
-ATOM  29528  OD2 ASP R 175     102.387 232.614  34.676  1.00 28.19           O  
-ATOM  29529  N   VAL R 176      99.855 232.331  38.582  1.00 21.26           N  
-ATOM  29530  CA  VAL R 176      98.762 231.422  38.920  1.00 21.97           C  
-ATOM  29531  C   VAL R 176      98.026 231.047  37.600  1.00 22.85           C  
-ATOM  29532  O   VAL R 176      97.569 231.916  36.857  1.00 22.98           O  
-ATOM  29533  CB  VAL R 176      97.769 232.040  39.949  1.00 21.73           C  
-ATOM  29534  CG1 VAL R 176      96.669 231.065  40.301  1.00 21.27           C  
-ATOM  29535  CG2 VAL R 176      98.474 232.496  41.208  1.00 20.84           C  
-ATOM  29536  N   THR R 177      97.967 229.756  37.291  1.00 23.29           N  
-ATOM  29537  CA  THR R 177      97.189 229.283  36.152  1.00 23.91           C  
-ATOM  29538  C   THR R 177      96.176 228.216  36.570  1.00 23.64           C  
-ATOM  29539  O   THR R 177      96.368 227.534  37.565  1.00 23.22           O  
-ATOM  29540  CB  THR R 177      98.091 228.747  35.006  1.00 24.02           C  
-ATOM  29541  OG1 THR R 177      98.950 227.703  35.495  1.00 25.13           O  
-ATOM  29542  CG2 THR R 177      99.043 229.831  34.496  1.00 24.71           C  
-ATOM  29543  N   GLN R 178      95.111 228.071  35.785  1.00 24.06           N  
-ATOM  29544  CA  GLN R 178      94.066 227.060  36.041  1.00 25.47           C  
-ATOM  29545  C   GLN R 178      93.882 226.048  34.879  1.00 25.04           C  
-ATOM  29546  O   GLN R 178      94.312 226.283  33.753  1.00 24.50           O  
-ATOM  29547  CB  GLN R 178      92.742 227.741  36.390  1.00 25.60           C  
-ATOM  29548  CG  GLN R 178      92.812 229.300  36.489  1.00 29.86           C  
-ATOM  29549  CD  GLN R 178      92.847 229.845  37.916  1.00 34.05           C  
-ATOM  29550  OE1 GLN R 178      91.925 229.596  38.722  1.00 40.55           O  
-ATOM  29551  NE2 GLN R 178      93.882 230.622  38.228  1.00 34.65           N  
-ATOM  29552  N   LYS R 179      93.244 224.919  35.159  1.00 24.74           N  
-ATOM  29553  CA  LYS R 179      93.086 223.851  34.155  1.00 24.85           C  
-ATOM  29554  C   LYS R 179      91.858 222.995  34.524  1.00 24.15           C  
-ATOM  29555  O   LYS R 179      91.701 222.639  35.691  1.00 23.31           O  
-ATOM  29556  CB  LYS R 179      94.359 222.987  34.112  1.00 24.80           C  
-ATOM  29557  CG  LYS R 179      94.430 222.003  32.970  1.00 27.79           C  
-ATOM  29558  CD  LYS R 179      95.810 221.328  32.899  1.00 29.43           C  
-ATOM  29559  CE  LYS R 179      95.693 219.796  32.749  1.00 30.74           C  
-ATOM  29560  NZ  LYS R 179      95.461 219.312  31.357  1.00 30.30           N  
-ATOM  29561  N   LYS R 180      90.993 222.680  33.556  1.00 22.78           N  
-ATOM  29562  CA  LYS R 180      89.850 221.824  33.847  1.00 21.61           C  
-ATOM  29563  C   LYS R 180      90.207 220.377  33.583  1.00 21.12           C  
-ATOM  29564  O   LYS R 180      90.806 220.079  32.554  1.00 20.56           O  
-ATOM  29565  CB  LYS R 180      88.646 222.161  32.985  1.00 21.54           C  
-ATOM  29566  CG  LYS R 180      88.231 223.623  32.906  1.00 22.09           C  
-ATOM  29567  CD  LYS R 180      86.863 223.701  32.204  1.00 25.38           C  
-ATOM  29568  CE  LYS R 180      86.084 222.372  32.351  1.00 24.84           C  
-ATOM  29569  NZ  LYS R 180      84.717 222.419  32.922  1.00 23.85           N  
-ATOM  29570  N   ASN R 181      89.816 219.469  34.476  1.00 19.83           N  
-ATOM  29571  CA  ASN R 181      89.949 218.032  34.151  1.00 20.05           C  
-ATOM  29572  C   ASN R 181      88.679 217.237  34.403  1.00 19.38           C  
-ATOM  29573  O   ASN R 181      87.855 217.606  35.210  1.00 18.67           O  
-ATOM  29574  CB  ASN R 181      91.144 217.365  34.842  1.00 19.88           C  
-ATOM  29575  CG  ASN R 181      92.445 218.156  34.676  1.00 21.68           C  
-ATOM  29576  OD1 ASN R 181      93.192 217.984  33.702  1.00 23.27           O  
-ATOM  29577  ND2 ASN R 181      92.711 219.031  35.621  1.00 22.28           N  
-ATOM  29578  N   SER R 182      88.498 216.166  33.656  1.00 19.31           N  
-ATOM  29579  CA  SER R 182      87.410 215.270  33.948  1.00 19.71           C  
-ATOM  29580  C   SER R 182      88.016 213.918  34.239  1.00 19.60           C  
-ATOM  29581  O   SER R 182      88.675 213.343  33.386  1.00 18.43           O  
-ATOM  29582  CB  SER R 182      86.455 215.179  32.770  1.00 19.57           C  
-ATOM  29583  OG  SER R 182      85.538 216.239  32.839  1.00 21.61           O  
-ATOM  29584  N   VAL R 183      87.796 213.440  35.458  1.00 19.51           N  
-ATOM  29585  CA  VAL R 183      88.435 212.228  35.929  1.00 19.52           C  
-ATOM  29586  C   VAL R 183      87.423 211.141  36.389  1.00 20.15           C  
-ATOM  29587  O   VAL R 183      86.484 211.392  37.173  1.00 19.55           O  
-ATOM  29588  CB  VAL R 183      89.447 212.537  37.064  1.00 20.14           C  
-ATOM  29589  CG1 VAL R 183      90.170 211.260  37.496  1.00 18.85           C  
-ATOM  29590  CG2 VAL R 183      90.460 213.630  36.648  1.00 17.61           C  
-ATOM  29591  N   THR R 184      87.653 209.936  35.899  1.00 20.10           N  
-ATOM  29592  CA  THR R 184      86.968 208.757  36.388  1.00 21.00           C  
-ATOM  29593  C   THR R 184      87.815 207.999  37.428  1.00 21.11           C  
-ATOM  29594  O   THR R 184      88.982 207.668  37.177  1.00 21.63           O  
-ATOM  29595  CB  THR R 184      86.601 207.859  35.199  1.00 21.30           C  
-ATOM  29596  OG1 THR R 184      85.986 208.671  34.181  1.00 20.99           O  
-ATOM  29597  CG2 THR R 184      85.495 206.882  35.600  1.00 21.61           C  
-ATOM  29598  N   TYR R 185      87.207 207.738  38.589  1.00 20.81           N  
-ATOM  29599  CA  TYR R 185      87.858 207.104  39.728  1.00 20.10           C  
-ATOM  29600  C   TYR R 185      87.378 205.673  39.796  1.00 20.41           C  
-ATOM  29601  O   TYR R 185      86.253 205.400  39.435  1.00 19.90           O  
-ATOM  29602  CB  TYR R 185      87.505 207.854  41.015  1.00 20.11           C  
-ATOM  29603  CG  TYR R 185      87.982 209.285  40.969  1.00 19.86           C  
-ATOM  29604  CD1 TYR R 185      87.157 210.323  40.483  1.00 20.44           C  
-ATOM  29605  CD2 TYR R 185      89.274 209.598  41.342  1.00 20.53           C  
-ATOM  29606  CE1 TYR R 185      87.622 211.620  40.401  1.00 18.11           C  
-ATOM  29607  CE2 TYR R 185      89.750 210.876  41.247  1.00 19.11           C  
-ATOM  29608  CZ  TYR R 185      88.926 211.878  40.778  1.00 18.25           C  
-ATOM  29609  OH  TYR R 185      89.442 213.132  40.718  1.00 20.11           O  
-ATOM  29610  N   SER R 186      88.227 204.773  40.277  1.00 20.61           N  
-ATOM  29611  CA  SER R 186      87.913 203.350  40.373  1.00 21.74           C  
-ATOM  29612  C   SER R 186      86.660 202.998  41.193  1.00 22.09           C  
-ATOM  29613  O   SER R 186      86.146 201.868  41.077  1.00 22.11           O  
-ATOM  29614  CB  SER R 186      89.119 202.594  40.943  1.00 21.73           C  
-ATOM  29615  OG  SER R 186      90.080 202.330  39.928  1.00 24.12           O  
-ATOM  29616  N   CYS R 187      86.185 203.948  42.009  1.00 21.67           N  
-ATOM  29617  CA  CYS R 187      85.035 203.749  42.890  1.00 22.50           C  
-ATOM  29618  C   CYS R 187      83.683 203.708  42.189  1.00 22.04           C  
-ATOM  29619  O   CYS R 187      82.700 203.233  42.761  1.00 21.98           O  
-ATOM  29620  CB  CYS R 187      84.958 204.908  43.890  1.00 22.93           C  
-ATOM  29621  SG  CYS R 187      84.351 206.406  43.091  1.00 25.53           S  
-ATOM  29622  N   CYS R 188      83.628 204.262  40.977  1.00 22.22           N  
-ATOM  29623  CA  CYS R 188      82.366 204.720  40.354  1.00 21.80           C  
-ATOM  29624  C   CYS R 188      82.504 204.850  38.829  1.00 20.23           C  
-ATOM  29625  O   CYS R 188      83.559 205.216  38.352  1.00 19.70           O  
-ATOM  29626  CB  CYS R 188      81.971 206.094  40.926  1.00 21.92           C  
-ATOM  29627  SG  CYS R 188      82.317 206.324  42.686  1.00 26.13           S  
-ATOM  29628  N   PRO R 189      81.439 204.616  38.067  1.00 19.75           N  
-ATOM  29629  CA  PRO R 189      81.535 204.612  36.599  1.00 19.40           C  
-ATOM  29630  C   PRO R 189      81.629 206.022  35.983  1.00 19.33           C  
-ATOM  29631  O   PRO R 189      82.130 206.138  34.868  1.00 19.29           O  
-ATOM  29632  CB  PRO R 189      80.218 203.961  36.161  1.00 19.01           C  
-ATOM  29633  CG  PRO R 189      79.548 203.502  37.428  1.00 19.46           C  
-ATOM  29634  CD  PRO R 189      80.055 204.403  38.520  1.00 19.83           C  
-ATOM  29635  N   GLU R 190      81.162 207.050  36.695  1.00 19.01           N  
-ATOM  29636  CA  GLU R 190      81.023 208.423  36.153  1.00 19.28           C  
-ATOM  29637  C   GLU R 190      82.273 209.309  36.223  1.00 18.12           C  
-ATOM  29638  O   GLU R 190      83.135 209.099  37.087  1.00 18.43           O  
-ATOM  29639  CB  GLU R 190      79.865 209.161  36.852  1.00 19.76           C  
-ATOM  29640  CG  GLU R 190      78.539 208.428  36.867  1.00 23.00           C  
-ATOM  29641  CD  GLU R 190      77.870 208.416  35.513  1.00 30.04           C  
-ATOM  29642  OE1 GLU R 190      77.635 209.529  34.967  1.00 33.99           O  
-ATOM  29643  OE2 GLU R 190      77.580 207.302  34.983  1.00 32.76           O  
-ATOM  29644  N   ALA R 191      82.336 210.329  35.353  1.00 17.00           N  
-ATOM  29645  CA  ALA R 191      83.410 211.323  35.361  1.00 15.89           C  
-ATOM  29646  C   ALA R 191      83.104 212.486  36.311  1.00 15.39           C  
-ATOM  29647  O   ALA R 191      81.981 212.951  36.377  1.00 14.67           O  
-ATOM  29648  CB  ALA R 191      83.664 211.845  33.927  1.00 16.17           C  
-ATOM  29649  N   TYR R 192      84.122 212.953  37.027  1.00 15.19           N  
-ATOM  29650  CA  TYR R 192      83.997 214.063  37.983  1.00 15.94           C  
-ATOM  29651  C   TYR R 192      84.884 215.180  37.533  1.00 16.52           C  
-ATOM  29652  O   TYR R 192      86.023 214.922  37.175  1.00 16.45           O  
-ATOM  29653  CB  TYR R 192      84.434 213.631  39.409  1.00 14.95           C  
-ATOM  29654  CG  TYR R 192      83.476 212.621  39.997  1.00 15.49           C  
-ATOM  29655  CD1 TYR R 192      83.546 211.269  39.639  1.00 15.35           C  
-ATOM  29656  CD2 TYR R 192      82.455 213.025  40.859  1.00 14.82           C  
-ATOM  29657  CE1 TYR R 192      82.654 210.336  40.160  1.00 16.12           C  
-ATOM  29658  CE2 TYR R 192      81.542 212.099  41.387  1.00 15.28           C  
-ATOM  29659  CZ  TYR R 192      81.655 210.767  41.042  1.00 16.05           C  
-ATOM  29660  OH  TYR R 192      80.766 209.850  41.532  1.00 17.14           O  
-ATOM  29661  N   GLU R 193      84.376 216.417  37.579  1.00 17.02           N  
-ATOM  29662  CA  GLU R 193      85.141 217.547  37.095  1.00 17.61           C  
-ATOM  29663  C   GLU R 193      85.965 218.136  38.210  1.00 18.37           C  
-ATOM  29664  O   GLU R 193      85.555 218.111  39.393  1.00 17.86           O  
-ATOM  29665  CB  GLU R 193      84.226 218.597  36.433  1.00 17.68           C  
-ATOM  29666  CG  GLU R 193      83.569 218.077  35.146  1.00 17.90           C  
-ATOM  29667  CD  GLU R 193      82.905 219.164  34.325  1.00 19.53           C  
-ATOM  29668  OE1 GLU R 193      83.067 220.351  34.656  1.00 20.10           O  
-ATOM  29669  OE2 GLU R 193      82.235 218.843  33.333  1.00 21.21           O  
-ATOM  29670  N   ASP R 194      87.145 218.637  37.847  1.00 18.98           N  
-ATOM  29671  CA  ASP R 194      87.970 219.373  38.792  1.00 20.15           C  
-ATOM  29672  C   ASP R 194      88.637 220.596  38.147  1.00 19.70           C  
-ATOM  29673  O   ASP R 194      88.801 220.671  36.922  1.00 19.15           O  
-ATOM  29674  CB  ASP R 194      88.994 218.434  39.452  1.00 20.65           C  
-ATOM  29675  CG  ASP R 194      90.111 217.992  38.489  1.00 24.71           C  
-ATOM  29676  OD1 ASP R 194      90.914 218.849  38.037  1.00 28.01           O  
-ATOM  29677  OD2 ASP R 194      90.277 216.803  38.131  1.00 29.01           O  
-ATOM  29678  N   VAL R 195      88.964 221.580  38.965  1.00 19.14           N  
-ATOM  29679  CA  VAL R 195      89.896 222.592  38.506  1.00 19.42           C  
-ATOM  29680  C   VAL R 195      91.233 222.366  39.208  1.00 18.85           C  
-ATOM  29681  O   VAL R 195      91.283 222.169  40.435  1.00 18.66           O  
-ATOM  29682  CB  VAL R 195      89.378 224.015  38.756  1.00 19.93           C  
-ATOM  29683  CG1 VAL R 195      90.476 225.049  38.391  1.00 20.80           C  
-ATOM  29684  CG2 VAL R 195      88.143 224.274  37.924  1.00 20.28           C  
-ATOM  29685  N   GLU R 196      92.292 222.369  38.432  1.00 18.39           N  
-ATOM  29686  CA  GLU R 196      93.645 222.361  38.963  1.00 19.10           C  
-ATOM  29687  C   GLU R 196      94.211 223.785  38.987  1.00 18.24           C  
-ATOM  29688  O   GLU R 196      94.339 224.428  37.958  1.00 18.45           O  
-ATOM  29689  CB  GLU R 196      94.541 221.416  38.137  1.00 18.77           C  
-ATOM  29690  CG  GLU R 196      94.481 219.978  38.639  1.00 23.04           C  
-ATOM  29691  CD  GLU R 196      95.183 218.934  37.756  1.00 27.68           C  
-ATOM  29692  OE1 GLU R 196      95.822 219.286  36.743  1.00 28.65           O  
-ATOM  29693  OE2 GLU R 196      95.089 217.728  38.081  1.00 28.67           O  
-ATOM  29694  N   VAL R 197      94.544 224.267  40.160  1.00 17.64           N  
-ATOM  29695  CA  VAL R 197      95.144 225.594  40.284  1.00 17.34           C  
-ATOM  29696  C   VAL R 197      96.637 225.469  40.523  1.00 17.26           C  
-ATOM  29697  O   VAL R 197      97.058 224.904  41.524  1.00 16.82           O  
-ATOM  29698  CB  VAL R 197      94.485 226.372  41.437  1.00 17.52           C  
-ATOM  29699  CG1 VAL R 197      95.122 227.748  41.612  1.00 16.97           C  
-ATOM  29700  CG2 VAL R 197      92.973 226.522  41.169  1.00 17.82           C  
-ATOM  29701  N   SER R 198      97.434 225.970  39.583  1.00 17.12           N  
-ATOM  29702  CA  SER R 198      98.894 225.890  39.688  1.00 17.25           C  
-ATOM  29703  C   SER R 198      99.476 227.201  40.209  1.00 16.89           C  
-ATOM  29704  O   SER R 198      99.454 228.234  39.516  1.00 16.42           O  
-ATOM  29705  CB  SER R 198      99.506 225.541  38.325  1.00 17.33           C  
-ATOM  29706  OG  SER R 198      99.097 224.222  37.957  1.00 19.50           O  
-ATOM  29707  N   LEU R 199      99.985 227.136  41.433  1.00 16.54           N  
-ATOM  29708  CA  LEU R 199     100.629 228.268  42.094  1.00 16.61           C  
-ATOM  29709  C   LEU R 199     102.157 228.218  41.887  1.00 16.15           C  
-ATOM  29710  O   LEU R 199     102.837 227.363  42.446  1.00 16.20           O  
-ATOM  29711  CB  LEU R 199     100.253 228.262  43.577  1.00 16.74           C  
-ATOM  29712  CG  LEU R 199     100.927 229.262  44.527  1.00 17.85           C  
-ATOM  29713  CD1 LEU R 199     100.536 230.676  44.190  1.00 17.96           C  
-ATOM  29714  CD2 LEU R 199     100.517 228.920  45.957  1.00 18.75           C  
-ATOM  29715  N   ASN R 200     102.671 229.104  41.044  1.00 15.61           N  
-ATOM  29716  CA  ASN R 200     104.119 229.228  40.828  1.00 15.42           C  
-ATOM  29717  C   ASN R 200     104.638 230.309  41.757  1.00 14.78           C  
-ATOM  29718  O   ASN R 200     104.260 231.479  41.612  1.00 14.25           O  
-ATOM  29719  CB  ASN R 200     104.412 229.582  39.358  1.00 15.30           C  
-ATOM  29720  CG  ASN R 200     105.915 229.635  39.030  1.00 16.81           C  
-ATOM  29721  OD1 ASN R 200     106.339 230.362  38.126  1.00 17.33           O  
-ATOM  29722  ND2 ASN R 200     106.710 228.849  39.733  1.00 18.07           N  
-ATOM  29723  N   PHE R 201     105.482 229.914  42.708  1.00 13.87           N  
-ATOM  29724  CA  PHE R 201     105.914 230.818  43.776  1.00 13.70           C  
-ATOM  29725  C   PHE R 201     107.356 230.543  44.163  1.00 12.93           C  
-ATOM  29726  O   PHE R 201     107.880 229.450  43.887  1.00 12.64           O  
-ATOM  29727  CB  PHE R 201     104.981 230.715  44.982  1.00 13.42           C  
-ATOM  29728  CG  PHE R 201     105.154 229.464  45.794  1.00 15.03           C  
-ATOM  29729  CD1 PHE R 201     104.678 228.240  45.325  1.00 15.14           C  
-ATOM  29730  CD2 PHE R 201     105.757 229.506  47.043  1.00 15.65           C  
-ATOM  29731  CE1 PHE R 201     104.810 227.078  46.080  1.00 15.83           C  
-ATOM  29732  CE2 PHE R 201     105.890 228.358  47.810  1.00 15.99           C  
-ATOM  29733  CZ  PHE R 201     105.434 227.127  47.322  1.00 16.27           C  
-ATOM  29734  N   ARG R 202     107.988 231.526  44.784  1.00 10.34           N  
-ATOM  29735  CA  ARG R 202     109.351 231.329  45.221  1.00 10.39           C  
-ATOM  29736  C   ARG R 202     109.584 232.066  46.533  1.00 10.19           C  
-ATOM  29737  O   ARG R 202     108.806 232.942  46.885  1.00 10.39           O  
-ATOM  29738  CB  ARG R 202     110.355 231.746  44.128  1.00  9.59           C  
-ATOM  29739  CG  ARG R 202     110.483 233.259  43.962  1.00  9.56           C  
-ATOM  29740  CD  ARG R 202     111.286 233.693  42.755  1.00  8.69           C  
-ATOM  29741  NE  ARG R 202     111.108 235.115  42.467  1.00  5.60           N  
-ATOM  29742  CZ  ARG R 202     111.680 235.753  41.444  1.00  8.87           C  
-ATOM  29743  NH1 ARG R 202     112.445 235.101  40.573  1.00  4.95           N  
-ATOM  29744  NH2 ARG R 202     111.476 237.060  41.279  1.00  9.08           N  
-ATOM  29745  N   LYS R 203     110.658 231.700  47.233  1.00 10.64           N  
-ATOM  29746  CA  LYS R 203     111.118 232.369  48.451  1.00 10.66           C  
-ATOM  29747  C   LYS R 203     111.731 233.707  48.012  1.00 11.05           C  
-ATOM  29748  O   LYS R 203     112.469 233.731  47.017  1.00 10.87           O  
-ATOM  29749  CB  LYS R 203     112.220 231.510  49.085  1.00 11.35           C  
-ATOM  29750  CG  LYS R 203     111.980 230.906  50.501  1.00 12.46           C  
-ATOM  29751  CD  LYS R 203     111.556 229.434  50.408  1.00 17.44           C  
-ATOM  29752  CE  LYS R 203     112.475 228.503  51.220  1.00 21.51           C  
-ATOM  29753  NZ  LYS R 203     112.085 228.356  52.653  1.00 20.67           N  
-ATOM  29754  N   LYS R 204     111.470 234.800  48.733  1.00 10.29           N  
-ATOM  29755  CA  LYS R 204     112.093 236.086  48.425  1.00 11.06           C  
-ATOM  29756  C   LYS R 204     113.611 236.080  48.612  1.00 11.92           C  
-ATOM  29757  O   LYS R 204     114.125 235.380  49.486  1.00 11.24           O  
-ATOM  29758  CB  LYS R 204     111.488 237.192  49.277  1.00 11.02           C  
-ATOM  29759  CG  LYS R 204     110.056 237.484  48.882  1.00 11.43           C  
-ATOM  29760  CD  LYS R 204     109.272 238.113  50.011  1.00 11.87           C  
-ATOM  29761  CE  LYS R 204     108.822 239.525  49.627  1.00 11.02           C  
-ATOM  29762  NZ  LYS R 204     107.587 240.025  50.314  1.00  4.62           N  
-ATOM  29763  N   GLY R 205     114.321 236.880  47.806  1.00 13.05           N  
-ATOM  29764  CA  GLY R 205     115.760 237.021  47.935  1.00 14.74           C  
-ATOM  29765  C   GLY R 205     116.209 237.427  49.336  1.00 16.44           C  
-ATOM  29766  O   GLY R 205     115.450 238.067  50.084  1.00 16.28           O  
-ATOM  29767  N   ARG R 206     117.440 237.065  49.692  1.00 18.15           N  
-ATOM  29768  CA  ARG R 206     117.974 237.355  51.026  1.00 20.64           C  
-ATOM  29769  C   ARG R 206     117.862 238.859  51.388  1.00 21.82           C  
-ATOM  29770  O   ARG R 206     117.597 239.214  52.547  1.00 22.96           O  
-ATOM  29771  CB  ARG R 206     119.389 236.750  51.223  1.00 20.61           C  
-ATOM  29772  CG  ARG R 206     120.571 237.532  50.625  1.00 22.48           C  
-ATOM  29773  CD  ARG R 206     121.732 236.675  50.106  1.00 24.66           C  
-ATOM  29774  NE  ARG R 206     121.516 236.309  48.699  1.00 27.91           N  
-ATOM  29775  CZ  ARG R 206     122.075 235.263  48.077  1.00 29.59           C  
-ATOM  29776  NH1 ARG R 206     122.927 234.466  48.719  1.00 30.66           N  
-ATOM  29777  NH2 ARG R 206     121.802 235.028  46.796  1.00 29.08           N  
-ATOM  29778  N   SER R 207     118.009 239.727  50.382  1.00 22.44           N  
-ATOM  29779  CA  SER R 207     117.723 241.159  50.521  1.00 22.86           C  
-ATOM  29780  C   SER R 207     116.209 241.450  50.568  1.00 23.03           C  
-ATOM  29781  O   SER R 207     115.378 240.658  50.100  1.00 23.07           O  
-ATOM  29782  CB  SER R 207     118.368 241.944  49.376  1.00 22.73           C  
-ATOM  29783  OG  SER R 207     117.439 242.850  48.795  1.00 23.51           O  
-TER   29784      SER R 207                                                      
-ATOM  29785  N   GLU S   0      56.653 209.342  39.492  1.00 23.18           N  
-ATOM  29786  CA  GLU S   0      57.767 210.266  39.142  1.00 23.83           C  
-ATOM  29787  C   GLU S   0      58.169 211.256  40.274  1.00 23.68           C  
-ATOM  29788  O   GLU S   0      57.303 211.913  40.851  1.00 23.57           O  
-ATOM  29789  CB  GLU S   0      57.466 210.957  37.792  1.00 24.20           C  
-ATOM  29790  CG  GLU S   0      57.181 212.460  37.802  1.00 25.75           C  
-ATOM  29791  CD  GLU S   0      57.181 213.049  36.394  1.00 27.88           C  
-ATOM  29792  OE1 GLU S   0      58.300 213.364  35.911  1.00 27.61           O  
-ATOM  29793  OE2 GLU S   0      56.076 213.173  35.767  1.00 26.05           O  
-ATOM  29794  N   PHE S   1      59.474 211.326  40.586  1.00 22.93           N  
-ATOM  29795  CA  PHE S   1      60.031 212.175  41.653  1.00 22.52           C  
-ATOM  29796  C   PHE S   1      61.166 213.016  41.082  1.00 21.91           C  
-ATOM  29797  O   PHE S   1      61.909 212.563  40.207  1.00 21.91           O  
-ATOM  29798  CB  PHE S   1      60.620 211.343  42.820  1.00 22.57           C  
-ATOM  29799  CG  PHE S   1      59.728 210.255  43.310  1.00 24.52           C  
-ATOM  29800  CD1 PHE S   1      58.611 210.553  44.097  1.00 26.19           C  
-ATOM  29801  CD2 PHE S   1      59.990 208.919  42.983  1.00 25.73           C  
-ATOM  29802  CE1 PHE S   1      57.752 209.539  44.555  1.00 27.89           C  
-ATOM  29803  CE2 PHE S   1      59.153 207.895  43.433  1.00 26.68           C  
-ATOM  29804  CZ  PHE S   1      58.024 208.202  44.223  1.00 28.21           C  
-ATOM  29805  N   ASP S   2      61.315 214.237  41.577  1.00 21.13           N  
-ATOM  29806  CA  ASP S   2      62.562 214.973  41.341  1.00 20.41           C  
-ATOM  29807  C   ASP S   2      63.441 214.844  42.569  1.00 19.42           C  
-ATOM  29808  O   ASP S   2      63.005 214.271  43.589  1.00 18.83           O  
-ATOM  29809  CB  ASP S   2      62.300 216.440  40.964  1.00 20.67           C  
-ATOM  29810  CG  ASP S   2      61.572 217.216  42.054  1.00 21.89           C  
-ATOM  29811  OD1 ASP S   2      61.566 216.814  43.249  1.00 22.78           O  
-ATOM  29812  OD2 ASP S   2      60.960 218.267  41.802  1.00 24.11           O  
-ATOM  29813  N   ARG S   3      64.661 215.370  42.464  1.00 18.58           N  
-ATOM  29814  CA  ARG S   3      65.668 215.261  43.501  1.00 17.72           C  
-ATOM  29815  C   ARG S   3      65.137 215.764  44.809  1.00 17.08           C  
-ATOM  29816  O   ARG S   3      65.334 215.110  45.840  1.00 17.22           O  
-ATOM  29817  CB  ARG S   3      66.939 216.042  43.113  1.00 18.05           C  
-ATOM  29818  CG  ARG S   3      67.949 215.212  42.381  1.00 18.73           C  
-ATOM  29819  CD  ARG S   3      68.951 215.988  41.590  1.00 19.26           C  
-ATOM  29820  NE  ARG S   3      69.810 215.091  40.841  1.00 22.10           N  
-ATOM  29821  CZ  ARG S   3      69.730 214.871  39.531  1.00 25.96           C  
-ATOM  29822  NH1 ARG S   3      68.798 215.480  38.770  1.00 27.46           N  
-ATOM  29823  NH2 ARG S   3      70.593 214.020  38.965  1.00 26.21           N  
-ATOM  29824  N   ALA S   4      64.465 216.909  44.776  1.00 15.91           N  
-ATOM  29825  CA  ALA S   4      63.845 217.474  45.971  1.00 15.80           C  
-ATOM  29826  C   ALA S   4      62.934 216.490  46.707  1.00 15.66           C  
-ATOM  29827  O   ALA S   4      63.049 216.372  47.929  1.00 15.11           O  
-ATOM  29828  CB  ALA S   4      63.090 218.785  45.659  1.00 15.39           C  
-ATOM  29829  N   ASP S   5      62.063 215.798  45.966  1.00 15.62           N  
-ATOM  29830  CA  ASP S   5      61.119 214.814  46.518  1.00 16.48           C  
-ATOM  29831  C   ASP S   5      61.867 213.609  47.096  1.00 15.84           C  
-ATOM  29832  O   ASP S   5      61.583 213.172  48.218  1.00 15.76           O  
-ATOM  29833  CB  ASP S   5      60.121 214.302  45.463  1.00 17.13           C  
-ATOM  29834  CG  ASP S   5      59.262 215.413  44.862  1.00 20.98           C  
-ATOM  29835  OD1 ASP S   5      59.020 216.412  45.571  1.00 24.27           O  
-ATOM  29836  OD2 ASP S   5      58.778 215.389  43.688  1.00 25.25           O  
-ATOM  29837  N   ILE S   6      62.832 213.092  46.350  1.00 15.21           N  
-ATOM  29838  CA  ILE S   6      63.653 211.999  46.857  1.00 14.80           C  
-ATOM  29839  C   ILE S   6      64.304 212.393  48.185  1.00 14.70           C  
-ATOM  29840  O   ILE S   6      64.249 211.622  49.146  1.00 13.67           O  
-ATOM  29841  CB  ILE S   6      64.715 211.532  45.822  1.00 14.44           C  
-ATOM  29842  CG1 ILE S   6      64.029 210.957  44.569  1.00 14.09           C  
-ATOM  29843  CG2 ILE S   6      65.628 210.474  46.418  1.00 13.83           C  
-ATOM  29844  CD1 ILE S   6      64.926 210.950  43.315  1.00 12.75           C  
-ATOM  29845  N   LEU S   7      64.903 213.591  48.242  1.00 14.64           N  
-ATOM  29846  CA  LEU S   7      65.630 213.989  49.434  1.00 15.55           C  
-ATOM  29847  C   LEU S   7      64.699 214.321  50.598  1.00 15.31           C  
-ATOM  29848  O   LEU S   7      64.998 214.050  51.732  1.00 15.22           O  
-ATOM  29849  CB  LEU S   7      66.605 215.147  49.129  1.00 16.23           C  
-ATOM  29850  CG  LEU S   7      67.824 214.725  48.316  1.00 17.49           C  
-ATOM  29851  CD1 LEU S   7      68.397 215.873  47.506  1.00 18.91           C  
-ATOM  29852  CD2 LEU S   7      68.852 214.184  49.261  1.00 19.28           C  
-ATOM  29853  N   TYR S   8      63.557 214.904  50.309  1.00 15.79           N  
-ATOM  29854  CA  TYR S   8      62.535 215.141  51.324  1.00 16.83           C  
-ATOM  29855  C   TYR S   8      62.059 213.790  51.904  1.00 16.47           C  
-ATOM  29856  O   TYR S   8      61.969 213.616  53.127  1.00 15.66           O  
-ATOM  29857  CB  TYR S   8      61.372 215.912  50.695  1.00 17.69           C  
-ATOM  29858  CG  TYR S   8      60.187 216.158  51.590  1.00 21.04           C  
-ATOM  29859  CD1 TYR S   8      60.250 217.103  52.613  1.00 24.35           C  
-ATOM  29860  CD2 TYR S   8      59.005 215.436  51.429  1.00 23.22           C  
-ATOM  29861  CE1 TYR S   8      59.167 217.336  53.447  1.00 25.94           C  
-ATOM  29862  CE2 TYR S   8      57.907 215.668  52.262  1.00 25.55           C  
-ATOM  29863  CZ  TYR S   8      58.001 216.617  53.263  1.00 26.77           C  
-ATOM  29864  OH  TYR S   8      56.914 216.849  54.069  1.00 28.54           O  
-ATOM  29865  N   ASN S   9      61.772 212.833  51.031  1.00 16.11           N  
-ATOM  29866  CA  ASN S   9      61.281 211.545  51.519  1.00 16.59           C  
-ATOM  29867  C   ASN S   9      62.305 210.840  52.401  1.00 16.27           C  
-ATOM  29868  O   ASN S   9      61.951 210.342  53.477  1.00 15.97           O  
-ATOM  29869  CB  ASN S   9      60.747 210.654  50.393  1.00 16.58           C  
-ATOM  29870  CG  ASN S   9      59.512 211.254  49.723  1.00 18.51           C  
-ATOM  29871  OD1 ASN S   9      58.866 212.142  50.292  1.00 19.32           O  
-ATOM  29872  ND2 ASN S   9      59.193 210.788  48.505  1.00 17.75           N  
-ATOM  29873  N   ILE S  10      63.566 210.848  51.975  1.00 16.17           N  
-ATOM  29874  CA  ILE S  10      64.645 210.271  52.768  1.00 16.30           C  
-ATOM  29875  C   ILE S  10      64.774 210.976  54.084  1.00 16.86           C  
-ATOM  29876  O   ILE S  10      64.848 210.338  55.108  1.00 15.80           O  
-ATOM  29877  CB  ILE S  10      66.005 210.286  52.001  1.00 16.63           C  
-ATOM  29878  CG1 ILE S  10      65.977 209.250  50.864  1.00 15.16           C  
-ATOM  29879  CG2 ILE S  10      67.171 210.068  52.961  1.00 15.60           C  
-ATOM  29880  CD1 ILE S  10      67.142 209.372  49.941  1.00 13.90           C  
-ATOM  29881  N   ARG S  11      64.796 212.302  54.036  1.00 16.61           N  
-ATOM  29882  CA  ARG S  11      64.890 213.082  55.263  1.00 17.48           C  
-ATOM  29883  C   ARG S  11      63.748 212.796  56.236  1.00 16.38           C  
-ATOM  29884  O   ARG S  11      63.994 212.731  57.434  1.00 15.50           O  
-ATOM  29885  CB  ARG S  11      65.022 214.589  54.975  1.00 17.23           C  
-ATOM  29886  CG  ARG S  11      65.127 215.447  56.237  1.00 23.60           C  
-ATOM  29887  CD  ARG S  11      65.583 216.917  55.987  1.00 34.13           C  
-ATOM  29888  NE  ARG S  11      66.865 217.272  56.634  1.00 40.87           N  
-ATOM  29889  CZ  ARG S  11      67.149 217.152  57.947  1.00 44.28           C  
-ATOM  29890  NH1 ARG S  11      66.259 216.655  58.812  1.00 46.24           N  
-ATOM  29891  NH2 ARG S  11      68.344 217.517  58.397  1.00 44.63           N  
-ATOM  29892  N   GLN S  12      62.515 212.651  55.732  1.00 16.03           N  
-ATOM  29893  CA  GLN S  12      61.353 212.462  56.605  1.00 16.59           C  
-ATOM  29894  C   GLN S  12      61.248 211.042  57.183  1.00 17.66           C  
-ATOM  29895  O   GLN S  12      60.610 210.820  58.229  1.00 16.97           O  
-ATOM  29896  CB  GLN S  12      60.043 212.817  55.893  1.00 16.56           C  
-ATOM  29897  CG  GLN S  12      59.846 214.297  55.535  1.00 18.09           C  
-ATOM  29898  CD  GLN S  12      59.763 215.220  56.750  1.00 23.57           C  
-ATOM  29899  OE1 GLN S  12      58.669 215.593  57.189  1.00 27.73           O  
-ATOM  29900  NE2 GLN S  12      60.912 215.604  57.284  1.00 25.13           N  
-ATOM  29901  N   THR S  13      61.857 210.074  56.523  1.00 18.13           N  
-ATOM  29902  CA  THR S  13      61.671 208.669  56.936  1.00 19.65           C  
-ATOM  29903  C   THR S  13      63.005 208.023  57.320  1.00 21.68           C  
-ATOM  29904  O   THR S  13      63.097 206.810  57.585  1.00 22.75           O  
-ATOM  29905  CB  THR S  13      60.938 207.864  55.799  1.00 19.61           C  
-ATOM  29906  OG1 THR S  13      61.760 207.803  54.618  1.00 19.39           O  
-ATOM  29907  CG2 THR S  13      59.655 208.597  55.315  1.00 16.00           C  
-ATOM  29908  N   SER S  14      64.043 208.860  57.307  1.00 23.69           N  
-ATOM  29909  CA  SER S  14      65.372 208.563  57.824  1.00 24.76           C  
-ATOM  29910  C   SER S  14      65.231 208.132  59.263  1.00 25.17           C  
-ATOM  29911  O   SER S  14      64.646 208.875  60.089  1.00 27.04           O  
-ATOM  29912  CB  SER S  14      66.261 209.832  57.798  1.00 25.82           C  
-ATOM  29913  OG  SER S  14      65.831 210.851  58.734  1.00 21.57           O  
-ATOM  29914  N   ARG S  15      65.706 206.925  59.543  1.00 24.16           N  
-ATOM  29915  CA  ARG S  15      65.882 206.453  60.902  1.00 23.61           C  
-ATOM  29916  C   ARG S  15      67.410 206.225  61.079  1.00 22.02           C  
-ATOM  29917  O   ARG S  15      67.890 205.094  61.164  1.00 20.86           O  
-ATOM  29918  CB  ARG S  15      65.078 205.160  61.126  1.00 24.31           C  
-ATOM  29919  CG  ARG S  15      63.579 205.348  61.486  1.00 27.29           C  
-ATOM  29920  CD  ARG S  15      63.281 206.445  62.560  1.00 30.81           C  
-ATOM  29921  NE  ARG S  15      64.073 206.336  63.808  1.00 31.10           N  
-ATOM  29922  CZ  ARG S  15      63.861 205.440  64.804  1.00 30.64           C  
-ATOM  29923  NH1 ARG S  15      62.881 204.542  64.721  1.00 23.40           N  
-ATOM  29924  NH2 ARG S  15      64.664 205.445  65.882  1.00 30.37           N  
-ATOM  29925  N   PRO S  16      68.167 207.320  61.091  1.00 21.27           N  
-ATOM  29926  CA  PRO S  16      69.633 207.275  61.220  1.00 19.77           C  
-ATOM  29927  C   PRO S  16      70.186 206.441  62.387  1.00 19.79           C  
-ATOM  29928  O   PRO S  16      71.362 206.031  62.331  1.00 19.07           O  
-ATOM  29929  CB  PRO S  16      70.020 208.747  61.369  1.00 20.00           C  
-ATOM  29930  CG  PRO S  16      68.671 209.475  61.711  1.00 20.85           C  
-ATOM  29931  CD  PRO S  16      67.659 208.698  60.924  1.00 21.18           C  
-ATOM  29932  N   ASP S  17      69.381 206.207  63.413  1.00 18.31           N  
-ATOM  29933  CA  ASP S  17      69.810 205.407  64.546  1.00 19.27           C  
-ATOM  29934  C   ASP S  17      69.469 203.932  64.358  1.00 18.66           C  
-ATOM  29935  O   ASP S  17      69.756 203.124  65.229  1.00 18.82           O  
-ATOM  29936  CB  ASP S  17      69.175 205.920  65.860  1.00 19.86           C  
-ATOM  29937  CG  ASP S  17      69.651 207.352  66.238  1.00 23.57           C  
-ATOM  29938  OD1 ASP S  17      70.660 207.838  65.660  1.00 26.30           O  
-ATOM  29939  OD2 ASP S  17      69.065 208.065  67.098  1.00 30.27           O  
-ATOM  29940  N   VAL S  18      68.852 203.569  63.242  1.00 17.32           N  
-ATOM  29941  CA  VAL S  18      68.399 202.179  63.091  1.00 17.45           C  
-ATOM  29942  C   VAL S  18      69.214 201.421  62.040  1.00 17.27           C  
-ATOM  29943  O   VAL S  18      69.177 201.737  60.862  1.00 16.31           O  
-ATOM  29944  CB  VAL S  18      66.887 202.094  62.775  1.00 17.78           C  
-ATOM  29945  CG1 VAL S  18      66.437 200.602  62.657  1.00 17.06           C  
-ATOM  29946  CG2 VAL S  18      66.071 202.846  63.853  1.00 15.84           C  
-ATOM  29947  N   ILE S  19      69.940 200.403  62.495  1.00 17.85           N  
-ATOM  29948  CA  ILE S  19      70.700 199.534  61.590  1.00 18.17           C  
-ATOM  29949  C   ILE S  19      69.716 198.845  60.640  1.00 18.80           C  
-ATOM  29950  O   ILE S  19      68.728 198.298  61.114  1.00 18.52           O  
-ATOM  29951  CB  ILE S  19      71.588 198.557  62.382  1.00 17.75           C  
-ATOM  29952  CG1 ILE S  19      72.492 197.751  61.440  1.00 17.15           C  
-ATOM  29953  CG2 ILE S  19      70.767 197.709  63.408  1.00 16.86           C  
-ATOM  29954  CD1 ILE S  19      73.434 196.758  62.161  1.00 16.06           C  
-ATOM  29955  N   PRO S  20      69.953 198.941  59.319  1.00 19.91           N  
-ATOM  29956  CA  PRO S  20      69.006 198.460  58.298  1.00 21.30           C  
-ATOM  29957  C   PRO S  20      69.126 196.966  58.096  1.00 22.78           C  
-ATOM  29958  O   PRO S  20      69.333 196.477  56.987  1.00 22.88           O  
-ATOM  29959  CB  PRO S  20      69.439 199.214  57.027  1.00 20.67           C  
-ATOM  29960  CG  PRO S  20      70.905 199.417  57.206  1.00 20.55           C  
-ATOM  29961  CD  PRO S  20      71.129 199.557  58.690  1.00 20.15           C  
-ATOM  29962  N   THR S  21      69.000 196.256  59.198  1.00 24.79           N  
-ATOM  29963  CA  THR S  21      68.991 194.811  59.211  1.00 27.28           C  
-ATOM  29964  C   THR S  21      67.780 194.292  58.436  1.00 28.65           C  
-ATOM  29965  O   THR S  21      66.669 194.778  58.615  1.00 29.12           O  
-ATOM  29966  CB  THR S  21      69.011 194.371  60.683  1.00 27.12           C  
-ATOM  29967  OG1 THR S  21      70.324 193.872  61.005  1.00 28.33           O  
-ATOM  29968  CG2 THR S  21      68.075 193.224  60.945  1.00 28.91           C  
-ATOM  29969  N   GLN S  22      68.027 193.368  57.509  1.00 29.49           N  
-ATOM  29970  CA  GLN S  22      66.966 192.592  56.872  1.00 30.54           C  
-ATOM  29971  C   GLN S  22      66.841 191.285  57.650  1.00 29.66           C  
-ATOM  29972  O   GLN S  22      67.823 190.603  57.859  1.00 29.16           O  
-ATOM  29973  CB  GLN S  22      67.285 192.284  55.389  1.00 31.49           C  
-ATOM  29974  CG  GLN S  22      67.714 193.489  54.521  1.00 34.75           C  
-ATOM  29975  CD  GLN S  22      66.520 194.222  53.923  1.00 40.79           C  
-ATOM  29976  OE1 GLN S  22      65.693 193.613  53.216  1.00 41.39           O  
-ATOM  29977  NE2 GLN S  22      66.411 195.527  54.218  1.00 41.49           N  
-ATOM  29978  N   ARG S  23      65.631 190.962  58.081  1.00 29.80           N  
-ATOM  29979  CA  ARG S  23      65.337 189.796  58.932  1.00 29.75           C  
-ATOM  29980  C   ARG S  23      66.532 189.113  59.661  1.00 29.24           C  
-ATOM  29981  O   ARG S  23      67.038 189.647  60.664  1.00 29.14           O  
-ATOM  29982  CB  ARG S  23      64.465 188.792  58.177  1.00 29.99           C  
-ATOM  29983  CG  ARG S  23      63.482 188.026  59.080  1.00 31.51           C  
-ATOM  29984  CD  ARG S  23      62.615 187.046  58.329  1.00 32.79           C  
-ATOM  29985  NE  ARG S  23      62.940 185.652  58.634  1.00 35.08           N  
-ATOM  29986  CZ  ARG S  23      63.235 184.732  57.717  1.00 36.34           C  
-ATOM  29987  NH1 ARG S  23      63.256 185.059  56.425  1.00 36.24           N  
-ATOM  29988  NH2 ARG S  23      63.499 183.483  58.088  1.00 37.08           N  
-ATOM  29989  N   ASP S  24      66.990 187.961  59.163  1.00 28.54           N  
-ATOM  29990  CA  ASP S  24      67.991 187.148  59.892  1.00 28.18           C  
-ATOM  29991  C   ASP S  24      69.431 187.468  59.409  1.00 27.46           C  
-ATOM  29992  O   ASP S  24      70.334 186.607  59.447  1.00 27.70           O  
-ATOM  29993  CB  ASP S  24      67.678 185.635  59.746  1.00 27.93           C  
-ATOM  29994  CG  ASP S  24      67.628 184.887  61.109  1.00 29.08           C  
-ATOM  29995  OD1 ASP S  24      68.692 184.795  61.774  1.00 26.41           O  
-ATOM  29996  OD2 ASP S  24      66.577 184.348  61.586  1.00 28.01           O  
-ATOM  29997  N   ARG S  25      69.656 188.689  58.938  1.00 25.54           N  
-ATOM  29998  CA  ARG S  25      70.916 188.944  58.249  1.00 24.30           C  
-ATOM  29999  C   ARG S  25      71.730 190.134  58.750  1.00 23.36           C  
-ATOM  30000  O   ARG S  25      71.211 191.244  58.977  1.00 21.99           O  
-ATOM  30001  CB  ARG S  25      70.701 189.042  56.729  1.00 24.73           C  
-ATOM  30002  CG  ARG S  25      70.475 187.677  56.021  1.00 26.17           C  
-ATOM  30003  CD  ARG S  25      70.919 187.668  54.566  1.00 26.72           C  
-ATOM  30004  NE  ARG S  25      72.364 187.485  54.420  1.00 30.60           N  
-ATOM  30005  CZ  ARG S  25      72.974 186.316  54.180  1.00 33.28           C  
-ATOM  30006  NH1 ARG S  25      72.269 185.187  54.055  1.00 30.20           N  
-ATOM  30007  NH2 ARG S  25      74.305 186.283  54.078  1.00 33.46           N  
-ATOM  30008  N   PRO S  26      73.025 189.907  58.909  1.00 22.41           N  
-ATOM  30009  CA  PRO S  26      73.915 191.031  59.175  1.00 21.03           C  
-ATOM  30010  C   PRO S  26      73.896 192.000  57.979  1.00 19.98           C  
-ATOM  30011  O   PRO S  26      73.752 191.552  56.834  1.00 19.38           O  
-ATOM  30012  CB  PRO S  26      75.281 190.377  59.365  1.00 20.81           C  
-ATOM  30013  CG  PRO S  26      75.158 189.015  58.696  1.00 21.58           C  
-ATOM  30014  CD  PRO S  26      73.724 188.600  58.897  1.00 22.15           C  
-ATOM  30015  N   VAL S  27      73.964 193.295  58.246  1.00 18.24           N  
-ATOM  30016  CA  VAL S  27      74.256 194.271  57.202  1.00 17.93           C  
-ATOM  30017  C   VAL S  27      75.681 194.052  56.660  1.00 17.49           C  
-ATOM  30018  O   VAL S  27      76.664 194.127  57.427  1.00 17.22           O  
-ATOM  30019  CB  VAL S  27      74.167 195.726  57.701  1.00 17.75           C  
-ATOM  30020  CG1 VAL S  27      74.498 196.656  56.566  1.00 17.76           C  
-ATOM  30021  CG2 VAL S  27      72.770 196.077  58.232  1.00 17.82           C  
-ATOM  30022  N   ALA S  28      75.801 193.771  55.356  1.00 16.15           N  
-ATOM  30023  CA  ALA S  28      77.114 193.522  54.786  1.00 15.97           C  
-ATOM  30024  C   ALA S  28      77.751 194.858  54.431  1.00 16.18           C  
-ATOM  30025  O   ALA S  28      77.241 195.568  53.588  1.00 15.71           O  
-ATOM  30026  CB  ALA S  28      77.028 192.601  53.563  1.00 15.93           C  
-ATOM  30027  N   VAL S  29      78.851 195.197  55.106  1.00 16.00           N  
-ATOM  30028  CA  VAL S  29      79.543 196.444  54.895  1.00 16.26           C  
-ATOM  30029  C   VAL S  29      80.877 196.162  54.263  1.00 17.30           C  
-ATOM  30030  O   VAL S  29      81.618 195.326  54.761  1.00 17.52           O  
-ATOM  30031  CB  VAL S  29      79.767 197.222  56.244  1.00 16.19           C  
-ATOM  30032  CG1 VAL S  29      80.497 198.497  55.993  1.00 15.31           C  
-ATOM  30033  CG2 VAL S  29      78.439 197.532  56.921  1.00 15.41           C  
-ATOM  30034  N   SER S  30      81.162 196.831  53.147  1.00 17.79           N  
-ATOM  30035  CA  SER S  30      82.448 196.734  52.491  1.00 18.98           C  
-ATOM  30036  C   SER S  30      83.289 197.960  52.841  1.00 19.64           C  
-ATOM  30037  O   SER S  30      82.758 199.102  52.889  1.00 19.62           O  
-ATOM  30038  CB  SER S  30      82.289 196.636  50.977  1.00 18.74           C  
-ATOM  30039  OG  SER S  30      81.465 195.537  50.640  1.00 21.49           O  
-ATOM  30040  N   VAL S  31      84.577 197.724  53.123  1.00 19.80           N  
-ATOM  30041  CA  VAL S  31      85.497 198.798  53.503  1.00 21.13           C  
-ATOM  30042  C   VAL S  31      86.780 198.609  52.767  1.00 21.31           C  
-ATOM  30043  O   VAL S  31      87.275 197.480  52.594  1.00 20.65           O  
-ATOM  30044  CB  VAL S  31      85.876 198.858  55.004  1.00 21.47           C  
-ATOM  30045  CG1 VAL S  31      86.292 200.288  55.390  1.00 21.44           C  
-ATOM  30046  CG2 VAL S  31      84.755 198.407  55.899  1.00 22.23           C  
-ATOM  30047  N   SER S  32      87.335 199.744  52.358  1.00 21.51           N  
-ATOM  30048  CA  SER S  32      88.580 199.715  51.609  1.00 22.92           C  
-ATOM  30049  C   SER S  32      89.228 201.052  51.800  1.00 22.54           C  
-ATOM  30050  O   SER S  32      88.546 202.089  51.768  1.00 22.94           O  
-ATOM  30051  CB  SER S  32      88.321 199.397  50.128  1.00 22.84           C  
-ATOM  30052  OG  SER S  32      89.420 199.791  49.346  1.00 27.31           O  
-ATOM  30053  N   LEU S  33      90.536 201.043  52.035  1.00 22.07           N  
-ATOM  30054  CA  LEU S  33      91.266 202.273  52.304  1.00 21.64           C  
-ATOM  30055  C   LEU S  33      92.108 202.617  51.103  1.00 21.85           C  
-ATOM  30056  O   LEU S  33      92.913 201.788  50.629  1.00 21.91           O  
-ATOM  30057  CB  LEU S  33      92.128 202.161  53.557  1.00 21.33           C  
-ATOM  30058  CG  LEU S  33      91.508 201.722  54.890  1.00 21.36           C  
-ATOM  30059  CD1 LEU S  33      92.534 201.871  56.002  1.00 19.50           C  
-ATOM  30060  CD2 LEU S  33      90.233 202.520  55.234  1.00 20.67           C  
-ATOM  30061  N   LYS S  34      91.893 203.810  50.555  1.00 21.09           N  
-ATOM  30062  CA  LYS S  34      92.696 204.249  49.425  1.00 20.42           C  
-ATOM  30063  C   LYS S  34      93.667 205.269  49.974  1.00 19.69           C  
-ATOM  30064  O   LYS S  34      93.270 206.372  50.358  1.00 19.52           O  
-ATOM  30065  CB  LYS S  34      91.849 204.886  48.321  1.00 21.03           C  
-ATOM  30066  CG  LYS S  34      90.584 204.136  47.944  1.00 23.31           C  
-ATOM  30067  CD  LYS S  34      90.900 202.907  47.075  1.00 27.49           C  
-ATOM  30068  CE  LYS S  34      89.703 201.982  47.028  1.00 30.21           C  
-ATOM  30069  NZ  LYS S  34      90.069 200.724  46.317  1.00 33.59           N  
-ATOM  30070  N   PHE S  35      94.934 204.916  50.019  1.00 18.24           N  
-ATOM  30071  CA  PHE S  35      95.896 205.756  50.691  1.00 17.46           C  
-ATOM  30072  C   PHE S  35      96.303 206.885  49.773  1.00 17.06           C  
-ATOM  30073  O   PHE S  35      96.609 206.660  48.600  1.00 16.71           O  
-ATOM  30074  CB  PHE S  35      97.090 204.909  51.158  1.00 17.36           C  
-ATOM  30075  CG  PHE S  35      96.749 203.971  52.316  1.00 17.54           C  
-ATOM  30076  CD1 PHE S  35      96.710 204.437  53.617  1.00 17.86           C  
-ATOM  30077  CD2 PHE S  35      96.476 202.626  52.085  1.00 18.60           C  
-ATOM  30078  CE1 PHE S  35      96.408 203.591  54.662  1.00 19.12           C  
-ATOM  30079  CE2 PHE S  35      96.167 201.769  53.130  1.00 17.70           C  
-ATOM  30080  CZ  PHE S  35      96.115 202.249  54.413  1.00 18.13           C  
-ATOM  30081  N   ILE S  36      96.277 208.095  50.306  1.00 16.23           N  
-ATOM  30082  CA  ILE S  36      96.581 209.294  49.535  1.00 16.07           C  
-ATOM  30083  C   ILE S  36      97.938 209.859  49.936  1.00 16.33           C  
-ATOM  30084  O   ILE S  36      98.686 210.310  49.102  1.00 15.48           O  
-ATOM  30085  CB  ILE S  36      95.481 210.372  49.748  1.00 16.23           C  
-ATOM  30086  CG1 ILE S  36      94.071 209.749  49.664  1.00 15.65           C  
-ATOM  30087  CG2 ILE S  36      95.672 211.545  48.749  1.00 14.62           C  
-ATOM  30088  CD1 ILE S  36      93.759 209.061  48.305  1.00 13.84           C  
-ATOM  30089  N   ASN S  37      98.232 209.842  51.235  1.00 17.12           N  
-ATOM  30090  CA  ASN S  37      99.479 210.384  51.769  1.00 18.02           C  
-ATOM  30091  C   ASN S  37      99.868 209.796  53.111  1.00 18.71           C  
-ATOM  30092  O   ASN S  37      99.016 209.352  53.885  1.00 18.87           O  
-ATOM  30093  CB  ASN S  37      99.422 211.904  51.880  1.00 17.46           C  
-ATOM  30094  CG  ASN S  37     100.606 212.551  51.238  1.00 20.05           C  
-ATOM  30095  OD1 ASN S  37     101.813 212.141  51.461  1.00 19.65           O  
-ATOM  30096  ND2 ASN S  37     100.325 213.550  50.400  1.00 16.63           N  
-ATOM  30097  N   ILE S  38     101.172 209.747  53.344  1.00 19.09           N  
-ATOM  30098  CA  ILE S  38     101.731 209.412  54.617  1.00 19.51           C  
-ATOM  30099  C   ILE S  38     102.514 210.668  55.036  1.00 20.25           C  
-ATOM  30100  O   ILE S  38     103.450 211.096  54.363  1.00 20.37           O  
-ATOM  30101  CB  ILE S  38     102.623 208.159  54.499  1.00 19.87           C  
-ATOM  30102  CG1 ILE S  38     101.792 206.952  54.044  1.00 19.40           C  
-ATOM  30103  CG2 ILE S  38     103.318 207.904  55.841  1.00 19.34           C  
-ATOM  30104  CD1 ILE S  38     102.582 205.883  53.372  1.00 19.73           C  
-ATOM  30105  N   LEU S  39     102.095 211.291  56.127  1.00 21.06           N  
-ATOM  30106  CA  LEU S  39     102.563 212.634  56.448  1.00 21.73           C  
-ATOM  30107  C   LEU S  39     103.661 212.667  57.466  1.00 22.40           C  
-ATOM  30108  O   LEU S  39     104.471 213.604  57.503  1.00 23.02           O  
-ATOM  30109  CB  LEU S  39     101.408 213.485  56.946  1.00 21.73           C  
-ATOM  30110  CG  LEU S  39     100.253 213.547  55.937  1.00 23.18           C  
-ATOM  30111  CD1 LEU S  39      99.041 214.184  56.532  1.00 23.76           C  
-ATOM  30112  CD2 LEU S  39     100.688 214.236  54.645  1.00 23.05           C  
-ATOM  30113  N   GLU S  40     103.674 211.655  58.318  1.00 22.49           N  
-ATOM  30114  CA  GLU S  40     104.652 211.579  59.384  1.00 22.98           C  
-ATOM  30115  C   GLU S  40     104.777 210.148  59.871  1.00 22.33           C  
-ATOM  30116  O   GLU S  40     103.783 209.424  60.064  1.00 22.41           O  
-ATOM  30117  CB  GLU S  40     104.286 212.494  60.554  1.00 23.39           C  
-ATOM  30118  CG  GLU S  40     105.386 212.602  61.603  1.00 27.06           C  
-ATOM  30119  CD  GLU S  40     104.993 213.474  62.780  1.00 31.96           C  
-ATOM  30120  OE1 GLU S  40     103.791 213.467  63.179  1.00 32.98           O  
-ATOM  30121  OE2 GLU S  40     105.889 214.175  63.304  1.00 33.52           O  
-ATOM  30122  N   VAL S  41     106.020 209.752  60.065  1.00 21.23           N  
-ATOM  30123  CA  VAL S  41     106.345 208.429  60.487  1.00 20.68           C  
-ATOM  30124  C   VAL S  41     107.386 208.614  61.608  1.00 20.41           C  
-ATOM  30125  O   VAL S  41     108.261 209.468  61.509  1.00 19.64           O  
-ATOM  30126  CB  VAL S  41     106.865 207.626  59.288  1.00 20.75           C  
-ATOM  30127  CG1 VAL S  41     107.808 206.543  59.725  1.00 20.84           C  
-ATOM  30128  CG2 VAL S  41     105.695 207.039  58.499  1.00 20.37           C  
-ATOM  30129  N   ASN S  42     107.243 207.849  62.686  1.00 20.36           N  
-ATOM  30130  CA  ASN S  42     108.196 207.897  63.775  1.00 20.51           C  
-ATOM  30131  C   ASN S  42     108.593 206.485  64.143  1.00 20.76           C  
-ATOM  30132  O   ASN S  42     107.777 205.740  64.700  1.00 20.50           O  
-ATOM  30133  CB  ASN S  42     107.578 208.619  64.957  1.00 20.50           C  
-ATOM  30134  CG  ASN S  42     108.585 208.938  66.048  1.00 20.85           C  
-ATOM  30135  OD1 ASN S  42     109.479 208.135  66.373  1.00 21.47           O  
-ATOM  30136  ND2 ASN S  42     108.432 210.112  66.635  1.00 19.32           N  
-ATOM  30137  N   GLU S  43     109.841 206.119  63.830  1.00 21.26           N  
-ATOM  30138  CA  GLU S  43     110.309 204.742  64.022  1.00 21.99           C  
-ATOM  30139  C   GLU S  43     110.602 204.449  65.489  1.00 21.98           C  
-ATOM  30140  O   GLU S  43     110.620 203.278  65.904  1.00 21.79           O  
-ATOM  30141  CB  GLU S  43     111.532 204.413  63.142  1.00 22.48           C  
-ATOM  30142  CG  GLU S  43     111.560 202.965  62.632  1.00 24.28           C  
-ATOM  30143  CD  GLU S  43     112.776 202.639  61.785  1.00 27.32           C  
-ATOM  30144  OE1 GLU S  43     113.246 203.524  61.013  1.00 28.60           O  
-ATOM  30145  OE2 GLU S  43     113.269 201.483  61.897  1.00 27.62           O  
-ATOM  30146  N   ILE S  44     110.815 205.512  66.269  1.00 21.87           N  
-ATOM  30147  CA  ILE S  44     111.012 205.371  67.713  1.00 22.03           C  
-ATOM  30148  C   ILE S  44     109.703 205.066  68.436  1.00 21.49           C  
-ATOM  30149  O   ILE S  44     109.641 204.135  69.233  1.00 21.61           O  
-ATOM  30150  CB  ILE S  44     111.699 206.625  68.335  1.00 22.39           C  
-ATOM  30151  CG1 ILE S  44     113.035 206.956  67.631  1.00 22.97           C  
-ATOM  30152  CG2 ILE S  44     111.902 206.442  69.844  1.00 22.47           C  
-ATOM  30153  CD1 ILE S  44     114.051 205.792  67.551  1.00 24.22           C  
-ATOM  30154  N   THR S  45     108.666 205.846  68.151  1.00 20.86           N  
-ATOM  30155  CA  THR S  45     107.376 205.671  68.827  1.00 20.45           C  
-ATOM  30156  C   THR S  45     106.413 204.706  68.155  1.00 19.95           C  
-ATOM  30157  O   THR S  45     105.382 204.379  68.747  1.00 20.02           O  
-ATOM  30158  CB  THR S  45     106.659 207.023  69.064  1.00 20.51           C  
-ATOM  30159  OG1 THR S  45     106.316 207.620  67.810  1.00 20.98           O  
-ATOM  30160  CG2 THR S  45     107.600 208.043  69.685  1.00 20.31           C  
-ATOM  30161  N   ASN S  46     106.749 204.250  66.945  1.00 19.45           N  
-ATOM  30162  CA  ASN S  46     105.887 203.373  66.149  1.00 18.73           C  
-ATOM  30163  C   ASN S  46     104.531 204.047  65.924  1.00 18.83           C  
-ATOM  30164  O   ASN S  46     103.472 203.490  66.239  1.00 18.20           O  
-ATOM  30165  CB  ASN S  46     105.725 201.988  66.799  1.00 18.37           C  
-ATOM  30166  CG  ASN S  46     106.749 200.985  66.316  1.00 18.30           C  
-ATOM  30167  OD1 ASN S  46     107.228 201.059  65.179  1.00 17.73           O  
-ATOM  30168  ND2 ASN S  46     107.077 200.018  67.173  1.00 15.50           N  
-ATOM  30169  N   GLU S  47     104.587 205.268  65.389  1.00 19.02           N  
-ATOM  30170  CA  GLU S  47     103.397 206.039  65.081  1.00 19.49           C  
-ATOM  30171  C   GLU S  47     103.462 206.586  63.650  1.00 19.63           C  
-ATOM  30172  O   GLU S  47     104.540 206.975  63.162  1.00 19.49           O  
-ATOM  30173  CB  GLU S  47     103.212 207.170  66.114  1.00 19.52           C  
-ATOM  30174  CG  GLU S  47     102.914 206.669  67.537  1.00 21.25           C  
-ATOM  30175  CD  GLU S  47     102.876 207.763  68.611  1.00 25.88           C  
-ATOM  30176  OE1 GLU S  47     102.588 208.959  68.297  1.00 28.29           O  
-ATOM  30177  OE2 GLU S  47     103.135 207.450  69.802  1.00 27.85           O  
-ATOM  30178  N   VAL S  48     102.315 206.583  62.978  1.00 19.37           N  
-ATOM  30179  CA  VAL S  48     102.196 207.066  61.604  1.00 20.05           C  
-ATOM  30180  C   VAL S  48     100.984 207.983  61.466  1.00 20.04           C  
-ATOM  30181  O   VAL S  48      99.957 207.778  62.106  1.00 19.95           O  
-ATOM  30182  CB  VAL S  48     102.141 205.926  60.539  1.00 19.96           C  
-ATOM  30183  CG1 VAL S  48     103.299 204.980  60.688  1.00 20.63           C  
-ATOM  30184  CG2 VAL S  48     100.873 205.147  60.637  1.00 20.75           C  
-ATOM  30185  N   ASP S  49     101.134 209.016  60.659  1.00 20.55           N  
-ATOM  30186  CA  ASP S  49     100.075 209.986  60.391  1.00 21.38           C  
-ATOM  30187  C   ASP S  49      99.751 209.797  58.923  1.00 20.97           C  
-ATOM  30188  O   ASP S  49     100.659 209.846  58.098  1.00 20.59           O  
-ATOM  30189  CB  ASP S  49     100.634 211.381  60.661  1.00 22.23           C  
-ATOM  30190  CG  ASP S  49      99.576 212.453  60.838  1.00 24.86           C  
-ATOM  30191  OD1 ASP S  49      98.384 212.237  60.568  1.00 28.50           O  
-ATOM  30192  OD2 ASP S  49      99.896 213.590  61.249  1.00 28.68           O  
-ATOM  30193  N   VAL S  50      98.477 209.553  58.594  1.00 20.64           N  
-ATOM  30194  CA  VAL S  50      98.086 209.103  57.252  1.00 20.38           C  
-ATOM  30195  C   VAL S  50      96.783 209.749  56.779  1.00 19.49           C  
-ATOM  30196  O   VAL S  50      95.886 210.030  57.579  1.00 18.83           O  
-ATOM  30197  CB  VAL S  50      97.895 207.535  57.193  1.00 20.95           C  
-ATOM  30198  CG1 VAL S  50      97.500 207.106  55.803  1.00 22.57           C  
-ATOM  30199  CG2 VAL S  50      99.182 206.808  57.560  1.00 22.25           C  
-ATOM  30200  N   VAL S  51      96.679 209.935  55.462  1.00 18.48           N  
-ATOM  30201  CA  VAL S  51      95.473 210.399  54.805  1.00 17.45           C  
-ATOM  30202  C   VAL S  51      95.006 209.362  53.810  1.00 17.00           C  
-ATOM  30203  O   VAL S  51      95.755 208.941  52.940  1.00 16.41           O  
-ATOM  30204  CB  VAL S  51      95.677 211.749  54.048  1.00 17.63           C  
-ATOM  30205  CG1 VAL S  51      94.391 212.213  53.375  1.00 16.91           C  
-ATOM  30206  CG2 VAL S  51      96.142 212.785  54.977  1.00 17.30           C  
-ATOM  30207  N   PHE S  52      93.741 208.992  53.932  1.00 16.48           N  
-ATOM  30208  CA  PHE S  52      93.178 207.925  53.154  1.00 16.31           C  
-ATOM  30209  C   PHE S  52      91.689 208.232  52.827  1.00 16.90           C  
-ATOM  30210  O   PHE S  52      91.011 209.014  53.526  1.00 17.06           O  
-ATOM  30211  CB  PHE S  52      93.444 206.527  53.822  1.00 15.83           C  
-ATOM  30212  CG  PHE S  52      92.885 206.369  55.229  1.00 16.23           C  
-ATOM  30213  CD1 PHE S  52      93.676 206.607  56.338  1.00 18.89           C  
-ATOM  30214  CD2 PHE S  52      91.569 205.973  55.440  1.00 18.35           C  
-ATOM  30215  CE1 PHE S  52      93.159 206.463  57.650  1.00 19.75           C  
-ATOM  30216  CE2 PHE S  52      91.015 205.847  56.752  1.00 17.01           C  
-ATOM  30217  CZ  PHE S  52      91.815 206.085  57.852  1.00 18.19           C  
-ATOM  30218  N   TRP S  53      91.208 207.675  51.724  1.00 16.70           N  
-ATOM  30219  CA  TRP S  53      89.786 207.660  51.452  1.00 17.21           C  
-ATOM  30220  C   TRP S  53      89.232 206.337  51.993  1.00 18.09           C  
-ATOM  30221  O   TRP S  53      89.731 205.254  51.654  1.00 17.86           O  
-ATOM  30222  CB  TRP S  53      89.536 207.779  49.957  1.00 16.53           C  
-ATOM  30223  CG  TRP S  53      90.088 209.019  49.338  1.00 16.25           C  
-ATOM  30224  CD1 TRP S  53      90.559 210.155  49.988  1.00 16.62           C  
-ATOM  30225  CD2 TRP S  53      90.218 209.286  47.942  1.00 16.30           C  
-ATOM  30226  NE1 TRP S  53      90.989 211.084  49.070  1.00 16.85           N  
-ATOM  30227  CE2 TRP S  53      90.800 210.572  47.806  1.00 17.01           C  
-ATOM  30228  CE3 TRP S  53      89.955 208.544  46.779  1.00 18.51           C  
-ATOM  30229  CZ2 TRP S  53      91.091 211.126  46.569  1.00 18.78           C  
-ATOM  30230  CZ3 TRP S  53      90.240 209.094  45.545  1.00 19.50           C  
-ATOM  30231  CH2 TRP S  53      90.803 210.388  45.447  1.00 19.37           C  
-ATOM  30232  N   GLN S  54      88.222 206.422  52.847  1.00 18.76           N  
-ATOM  30233  CA  GLN S  54      87.669 205.215  53.443  1.00 19.71           C  
-ATOM  30234  C   GLN S  54      86.419 204.875  52.688  1.00 19.58           C  
-ATOM  30235  O   GLN S  54      85.336 205.334  53.037  1.00 19.65           O  
-ATOM  30236  CB  GLN S  54      87.398 205.410  54.926  1.00 19.94           C  
-ATOM  30237  CG  GLN S  54      86.851 204.211  55.667  1.00 22.88           C  
-ATOM  30238  CD  GLN S  54      86.867 204.428  57.185  1.00 27.79           C  
-ATOM  30239  OE1 GLN S  54      87.930 204.571  57.786  1.00 29.79           O  
-ATOM  30240  NE2 GLN S  54      85.701 204.452  57.796  1.00 29.41           N  
-ATOM  30241  N   GLN S  55      86.590 204.082  51.633  1.00 19.37           N  
-ATOM  30242  CA  GLN S  55      85.494 203.699  50.773  1.00 19.91           C  
-ATOM  30243  C   GLN S  55      84.582 202.691  51.500  1.00 20.13           C  
-ATOM  30244  O   GLN S  55      84.988 201.559  51.776  1.00 19.67           O  
-ATOM  30245  CB  GLN S  55      86.010 203.106  49.465  1.00 19.78           C  
-ATOM  30246  CG  GLN S  55      84.905 202.612  48.576  1.00 22.05           C  
-ATOM  30247  CD  GLN S  55      85.391 202.018  47.268  1.00 26.41           C  
-ATOM  30248  OE1 GLN S  55      86.547 202.193  46.876  1.00 28.43           O  
-ATOM  30249  NE2 GLN S  55      84.501 201.335  46.575  1.00 26.73           N  
-ATOM  30250  N   THR S  56      83.354 203.124  51.802  1.00 19.82           N  
-ATOM  30251  CA  THR S  56      82.434 202.347  52.596  1.00 19.68           C  
-ATOM  30252  C   THR S  56      81.136 202.233  51.881  1.00 19.76           C  
-ATOM  30253  O   THR S  56      80.557 203.234  51.414  1.00 19.53           O  
-ATOM  30254  CB  THR S  56      82.193 202.994  53.954  1.00 20.73           C  
-ATOM  30255  OG1 THR S  56      83.397 203.639  54.411  1.00 22.17           O  
-ATOM  30256  CG2 THR S  56      81.883 201.922  54.975  1.00 19.87           C  
-ATOM  30257  N   THR S  57      80.638 201.006  51.868  1.00 19.12           N  
-ATOM  30258  CA  THR S  57      79.540 200.598  51.027  1.00 19.48           C  
-ATOM  30259  C   THR S  57      78.637 199.661  51.821  1.00 18.70           C  
-ATOM  30260  O   THR S  57      79.124 198.847  52.615  1.00 18.38           O  
-ATOM  30261  CB  THR S  57      80.179 199.921  49.806  1.00 20.31           C  
-ATOM  30262  OG1 THR S  57      80.055 200.800  48.688  1.00 22.29           O  
-ATOM  30263  CG2 THR S  57      79.520 198.625  49.410  1.00 21.54           C  
-ATOM  30264  N   TRP S  58      77.334 199.832  51.659  1.00 17.33           N  
-ATOM  30265  CA  TRP S  58      76.342 198.971  52.279  1.00 17.69           C  
-ATOM  30266  C   TRP S  58      75.006 199.245  51.653  1.00 17.75           C  
-ATOM  30267  O   TRP S  58      74.835 200.198  50.876  1.00 17.78           O  
-ATOM  30268  CB  TRP S  58      76.265 199.115  53.806  1.00 16.95           C  
-ATOM  30269  CG  TRP S  58      75.690 200.449  54.220  1.00 16.96           C  
-ATOM  30270  CD1 TRP S  58      74.389 200.724  54.495  1.00 16.35           C  
-ATOM  30271  CD2 TRP S  58      76.391 201.698  54.327  1.00 15.51           C  
-ATOM  30272  NE1 TRP S  58      74.244 202.052  54.803  1.00 15.39           N  
-ATOM  30273  CE2 TRP S  58      75.449 202.677  54.681  1.00 14.00           C  
-ATOM  30274  CE3 TRP S  58      77.726 202.085  54.154  1.00 14.23           C  
-ATOM  30275  CZ2 TRP S  58      75.798 204.026  54.909  1.00 14.83           C  
-ATOM  30276  CZ3 TRP S  58      78.072 203.422  54.345  1.00 14.26           C  
-ATOM  30277  CH2 TRP S  58      77.115 204.386  54.716  1.00 15.57           C  
-ATOM  30278  N   SER S  59      74.050 198.409  52.005  1.00 17.85           N  
-ATOM  30279  CA  SER S  59      72.726 198.497  51.439  1.00 19.21           C  
-ATOM  30280  C   SER S  59      71.721 198.832  52.544  1.00 18.99           C  
-ATOM  30281  O   SER S  59      71.766 198.267  53.624  1.00 18.92           O  
-ATOM  30282  CB  SER S  59      72.387 197.164  50.742  1.00 19.07           C  
-ATOM  30283  OG  SER S  59      71.013 196.932  50.862  1.00 22.65           O  
-ATOM  30284  N   ASP S  60      70.844 199.784  52.269  1.00 19.58           N  
-ATOM  30285  CA  ASP S  60      69.741 200.129  53.161  1.00 19.82           C  
-ATOM  30286  C   ASP S  60      68.484 200.337  52.339  1.00 19.82           C  
-ATOM  30287  O   ASP S  60      68.252 201.440  51.756  1.00 18.99           O  
-ATOM  30288  CB  ASP S  60      70.068 201.413  53.913  1.00 20.15           C  
-ATOM  30289  CG  ASP S  60      69.015 201.779  54.948  1.00 22.40           C  
-ATOM  30290  OD1 ASP S  60      67.897 201.211  54.907  1.00 21.92           O  
-ATOM  30291  OD2 ASP S  60      69.235 202.651  55.843  1.00 24.59           O  
-ATOM  30292  N   ARG S  61      67.660 199.307  52.334  1.00 18.67           N  
-ATOM  30293  CA  ARG S  61      66.520 199.253  51.461  1.00 19.85           C  
-ATOM  30294  C   ARG S  61      65.407 200.197  51.865  1.00 19.48           C  
-ATOM  30295  O   ARG S  61      64.606 200.560  51.025  1.00 19.67           O  
-ATOM  30296  CB  ARG S  61      66.008 197.817  51.357  1.00 20.07           C  
-ATOM  30297  CG  ARG S  61      67.149 196.794  51.182  1.00 23.88           C  
-ATOM  30298  CD  ARG S  61      67.369 196.298  49.748  1.00 32.02           C  
-ATOM  30299  NE  ARG S  61      68.533 196.938  49.111  1.00 37.10           N  
-ATOM  30300  CZ  ARG S  61      69.319 196.376  48.181  1.00 38.69           C  
-ATOM  30301  NH1 ARG S  61      69.113 195.122  47.762  1.00 39.12           N  
-ATOM  30302  NH2 ARG S  61      70.325 197.080  47.673  1.00 39.10           N  
-ATOM  30303  N   THR S  62      65.354 200.603  53.134  1.00 20.45           N  
-ATOM  30304  CA  THR S  62      64.407 201.653  53.538  1.00 21.19           C  
-ATOM  30305  C   THR S  62      64.644 202.968  52.757  1.00 20.76           C  
-ATOM  30306  O   THR S  62      63.784 203.839  52.748  1.00 20.94           O  
-ATOM  30307  CB  THR S  62      64.415 201.913  55.062  1.00 21.23           C  
-ATOM  30308  OG1 THR S  62      65.679 202.436  55.458  1.00 22.78           O  
-ATOM  30309  CG2 THR S  62      64.314 200.605  55.870  1.00 22.16           C  
-ATOM  30310  N   LEU S  63      65.797 203.105  52.112  1.00 19.87           N  
-ATOM  30311  CA  LEU S  63      66.099 204.329  51.349  1.00 19.85           C  
-ATOM  30312  C   LEU S  63      65.593 204.264  49.896  1.00 19.74           C  
-ATOM  30313  O   LEU S  63      65.471 205.301  49.213  1.00 19.53           O  
-ATOM  30314  CB  LEU S  63      67.606 204.607  51.337  1.00 18.83           C  
-ATOM  30315  CG  LEU S  63      68.300 204.771  52.672  1.00 20.31           C  
-ATOM  30316  CD1 LEU S  63      69.775 204.987  52.427  1.00 18.95           C  
-ATOM  30317  CD2 LEU S  63      67.682 205.926  53.541  1.00 19.58           C  
-ATOM  30318  N   ALA S  64      65.328 203.037  49.444  1.00 19.18           N  
-ATOM  30319  CA  ALA S  64      64.952 202.761  48.055  1.00 19.10           C  
-ATOM  30320  C   ALA S  64      63.741 203.552  47.588  1.00 19.08           C  
-ATOM  30321  O   ALA S  64      62.792 203.788  48.360  1.00 18.98           O  
-ATOM  30322  CB  ALA S  64      64.679 201.226  47.854  1.00 18.89           C  
-ATOM  30323  N   TRP S  65      63.764 203.921  46.311  1.00 18.69           N  
-ATOM  30324  CA  TRP S  65      62.599 204.513  45.673  1.00 18.62           C  
-ATOM  30325  C   TRP S  65      62.530 203.999  44.240  1.00 19.23           C  
-ATOM  30326  O   TRP S  65      63.540 203.557  43.696  1.00 18.84           O  
-ATOM  30327  CB  TRP S  65      62.707 206.049  45.702  1.00 18.05           C  
-ATOM  30328  CG  TRP S  65      63.831 206.618  44.844  1.00 16.49           C  
-ATOM  30329  CD1 TRP S  65      63.736 207.023  43.549  1.00 15.30           C  
-ATOM  30330  CD2 TRP S  65      65.192 206.858  45.232  1.00 14.37           C  
-ATOM  30331  NE1 TRP S  65      64.941 207.518  43.112  1.00 13.64           N  
-ATOM  30332  CE2 TRP S  65      65.856 207.419  44.120  1.00 12.93           C  
-ATOM  30333  CE3 TRP S  65      65.924 206.682  46.425  1.00 13.41           C  
-ATOM  30334  CZ2 TRP S  65      67.207 207.757  44.142  1.00 11.95           C  
-ATOM  30335  CZ3 TRP S  65      67.279 207.046  46.440  1.00 12.56           C  
-ATOM  30336  CH2 TRP S  65      67.902 207.556  45.305  1.00 12.05           C  
-ATOM  30337  N   ASN S  66      61.342 204.087  43.644  1.00 19.83           N  
-ATOM  30338  CA  ASN S  66      61.109 203.756  42.243  1.00 20.80           C  
-ATOM  30339  C   ASN S  66      61.663 204.844  41.334  1.00 20.82           C  
-ATOM  30340  O   ASN S  66      61.166 205.958  41.321  1.00 20.98           O  
-ATOM  30341  CB  ASN S  66      59.599 203.578  41.997  1.00 21.25           C  
-ATOM  30342  CG  ASN S  66      59.287 202.953  40.654  1.00 22.73           C  
-ATOM  30343  OD1 ASN S  66      60.030 203.116  39.687  1.00 23.19           O  
-ATOM  30344  ND2 ASN S  66      58.162 202.238  40.583  1.00 25.27           N  
-ATOM  30345  N   SER S  67      62.680 204.508  40.556  1.00 20.95           N  
-ATOM  30346  CA  SER S  67      63.297 205.464  39.654  1.00 20.87           C  
-ATOM  30347  C   SER S  67      63.085 205.154  38.172  1.00 21.14           C  
-ATOM  30348  O   SER S  67      63.957 205.463  37.352  1.00 20.16           O  
-ATOM  30349  CB  SER S  67      64.795 205.505  39.933  1.00 21.54           C  
-ATOM  30350  OG  SER S  67      65.357 204.243  39.641  1.00 20.31           O  
-ATOM  30351  N   SER S  68      61.949 204.533  37.826  1.00 21.84           N  
-ATOM  30352  CA  SER S  68      61.614 204.292  36.422  1.00 22.27           C  
-ATOM  30353  C   SER S  68      61.545 205.611  35.676  1.00 22.00           C  
-ATOM  30354  O   SER S  68      61.929 205.686  34.516  1.00 22.02           O  
-ATOM  30355  CB  SER S  68      60.276 203.553  36.270  1.00 23.08           C  
-ATOM  30356  OG  SER S  68      60.208 202.430  37.140  1.00 24.43           O  
-ATOM  30357  N   HIS S  69      61.067 206.649  36.354  1.00 21.79           N  
-ATOM  30358  CA  HIS S  69      60.974 207.967  35.761  1.00 22.35           C  
-ATOM  30359  C   HIS S  69      61.552 209.041  36.674  1.00 22.61           C  
-ATOM  30360  O   HIS S  69      61.003 210.148  36.765  1.00 23.15           O  
-ATOM  30361  CB  HIS S  69      59.503 208.267  35.414  1.00 22.84           C  
-ATOM  30362  CG  HIS S  69      58.832 207.170  34.639  1.00 22.95           C  
-ATOM  30363  ND1 HIS S  69      58.970 207.032  33.273  1.00 23.87           N  
-ATOM  30364  CD2 HIS S  69      58.056 206.134  35.045  1.00 23.42           C  
-ATOM  30365  CE1 HIS S  69      58.291 205.972  32.868  1.00 24.68           C  
-ATOM  30366  NE2 HIS S  69      57.729 205.407  33.923  1.00 24.48           N  
-ATOM  30367  N   SER S  70      62.660 208.719  37.349  1.00 22.35           N  
-ATOM  30368  CA  SER S  70      63.283 209.629  38.297  1.00 22.10           C  
-ATOM  30369  C   SER S  70      64.800 209.490  38.295  1.00 21.87           C  
-ATOM  30370  O   SER S  70      65.325 208.488  37.814  1.00 22.02           O  
-ATOM  30371  CB  SER S  70      62.742 209.374  39.710  1.00 21.93           C  
-ATOM  30372  OG  SER S  70      61.326 209.487  39.728  1.00 22.66           O  
-ATOM  30373  N   PRO S  71      65.510 210.490  38.813  1.00 21.63           N  
-ATOM  30374  CA  PRO S  71      66.953 210.333  39.064  1.00 21.44           C  
-ATOM  30375  C   PRO S  71      67.177 209.059  39.846  1.00 20.95           C  
-ATOM  30376  O   PRO S  71      66.386 208.761  40.752  1.00 20.67           O  
-ATOM  30377  CB  PRO S  71      67.285 211.547  39.942  1.00 21.27           C  
-ATOM  30378  CG  PRO S  71      66.298 212.604  39.468  1.00 21.54           C  
-ATOM  30379  CD  PRO S  71      65.028 211.851  39.154  1.00 21.62           C  
-ATOM  30380  N   ASP S  72      68.217 208.313  39.526  1.00 20.41           N  
-ATOM  30381  CA  ASP S  72      68.424 207.079  40.254  1.00 21.30           C  
-ATOM  30382  C   ASP S  72      69.513 207.137  41.358  1.00 20.03           C  
-ATOM  30383  O   ASP S  72      69.794 206.129  41.984  1.00 19.78           O  
-ATOM  30384  CB  ASP S  72      68.657 205.919  39.266  1.00 22.63           C  
-ATOM  30385  CG  ASP S  72      70.088 205.873  38.779  1.00 26.46           C  
-ATOM  30386  OD1 ASP S  72      70.636 206.967  38.493  1.00 30.03           O  
-ATOM  30387  OD2 ASP S  72      70.754 204.813  38.711  1.00 31.47           O  
-ATOM  30388  N   GLN S  73      70.095 208.324  41.591  1.00 18.90           N  
-ATOM  30389  CA  GLN S  73      71.126 208.539  42.610  1.00 17.77           C  
-ATOM  30390  C   GLN S  73      71.010 209.932  43.152  1.00 16.47           C  
-ATOM  30391  O   GLN S  73      70.713 210.868  42.391  1.00 15.91           O  
-ATOM  30392  CB  GLN S  73      72.539 208.419  42.033  1.00 17.77           C  
-ATOM  30393  CG  GLN S  73      73.003 207.034  41.848  1.00 20.48           C  
-ATOM  30394  CD  GLN S  73      74.491 206.924  41.589  1.00 22.72           C  
-ATOM  30395  OE1 GLN S  73      75.294 207.572  42.262  1.00 24.30           O  
-ATOM  30396  NE2 GLN S  73      74.864 206.082  40.625  1.00 20.41           N  
-ATOM  30397  N   VAL S  74      71.276 210.079  44.448  1.00 14.84           N  
-ATOM  30398  CA  VAL S  74      71.363 211.413  45.068  1.00 14.47           C  
-ATOM  30399  C   VAL S  74      72.497 211.475  46.104  1.00 14.96           C  
-ATOM  30400  O   VAL S  74      72.922 210.420  46.655  1.00 13.88           O  
-ATOM  30401  CB  VAL S  74      70.027 211.833  45.749  1.00 14.53           C  
-ATOM  30402  CG1 VAL S  74      68.922 212.070  44.740  1.00 13.62           C  
-ATOM  30403  CG2 VAL S  74      69.596 210.829  46.819  1.00 12.46           C  
-ATOM  30404  N   SER S  75      72.966 212.705  46.389  1.00 14.66           N  
-ATOM  30405  CA  SER S  75      73.885 212.926  47.514  1.00 15.10           C  
-ATOM  30406  C   SER S  75      73.077 213.314  48.747  1.00 15.71           C  
-ATOM  30407  O   SER S  75      72.215 214.231  48.678  1.00 16.14           O  
-ATOM  30408  CB  SER S  75      74.899 214.028  47.219  1.00 15.10           C  
-ATOM  30409  OG  SER S  75      75.749 213.711  46.159  1.00 14.33           O  
-ATOM  30410  N   VAL S  76      73.357 212.647  49.873  1.00 15.81           N  
-ATOM  30411  CA  VAL S  76      72.594 212.822  51.104  1.00 15.55           C  
-ATOM  30412  C   VAL S  76      73.537 213.084  52.266  1.00 16.25           C  
-ATOM  30413  O   VAL S  76      74.513 212.366  52.430  1.00 15.83           O  
-ATOM  30414  CB  VAL S  76      71.775 211.517  51.403  1.00 16.40           C  
-ATOM  30415  CG1 VAL S  76      70.947 211.626  52.690  1.00 14.84           C  
-ATOM  30416  CG2 VAL S  76      70.911 211.121  50.186  1.00 14.20           C  
-ATOM  30417  N   PRO S  77      73.264 214.101  53.093  1.00 17.20           N  
-ATOM  30418  CA  PRO S  77      74.094 214.342  54.292  1.00 17.12           C  
-ATOM  30419  C   PRO S  77      74.049 213.085  55.122  1.00 17.33           C  
-ATOM  30420  O   PRO S  77      72.955 212.519  55.228  1.00 17.57           O  
-ATOM  30421  CB  PRO S  77      73.364 215.491  55.041  1.00 17.35           C  
-ATOM  30422  CG  PRO S  77      72.400 216.117  54.040  1.00 18.24           C  
-ATOM  30423  CD  PRO S  77      72.153 215.074  52.957  1.00 17.18           C  
-ATOM  30424  N   ILE S  78      75.166 212.647  55.689  1.00 17.89           N  
-ATOM  30425  CA  ILE S  78      75.166 211.415  56.506  1.00 19.50           C  
-ATOM  30426  C   ILE S  78      74.317 211.507  57.769  1.00 20.07           C  
-ATOM  30427  O   ILE S  78      73.849 210.480  58.288  1.00 20.17           O  
-ATOM  30428  CB  ILE S  78      76.594 210.919  56.823  1.00 19.98           C  
-ATOM  30429  CG1 ILE S  78      77.351 211.910  57.714  1.00 20.35           C  
-ATOM  30430  CG2 ILE S  78      77.367 210.574  55.494  1.00 18.67           C  
-ATOM  30431  CD1 ILE S  78      78.655 211.304  58.343  1.00 23.40           C  
-ATOM  30432  N   SER S  79      74.056 212.735  58.224  1.00 20.05           N  
-ATOM  30433  CA  SER S  79      73.173 212.946  59.365  1.00 20.94           C  
-ATOM  30434  C   SER S  79      71.743 212.451  59.078  1.00 20.93           C  
-ATOM  30435  O   SER S  79      71.005 212.185  59.988  1.00 20.96           O  
-ATOM  30436  CB  SER S  79      73.181 214.421  59.786  1.00 21.93           C  
-ATOM  30437  OG  SER S  79      72.485 215.259  58.838  1.00 24.24           O  
-ATOM  30438  N   SER S  80      71.366 212.307  57.806  1.00 20.65           N  
-ATOM  30439  CA  SER S  80      70.045 211.793  57.461  1.00 21.08           C  
-ATOM  30440  C   SER S  80      70.047 210.275  57.196  1.00 20.59           C  
-ATOM  30441  O   SER S  80      69.024 209.726  56.780  1.00 21.09           O  
-ATOM  30442  CB  SER S  80      69.502 212.488  56.200  1.00 20.65           C  
-ATOM  30443  OG  SER S  80      69.216 213.818  56.481  1.00 23.86           O  
-ATOM  30444  N   LEU S  81      71.180 209.618  57.397  1.00 19.49           N  
-ATOM  30445  CA  LEU S  81      71.328 208.213  57.025  1.00 19.62           C  
-ATOM  30446  C   LEU S  81      71.869 207.410  58.218  1.00 18.84           C  
-ATOM  30447  O   LEU S  81      72.688 207.924  58.988  1.00 18.16           O  
-ATOM  30448  CB  LEU S  81      72.357 208.086  55.908  1.00 20.22           C  
-ATOM  30449  CG  LEU S  81      72.111 208.663  54.525  1.00 21.70           C  
-ATOM  30450  CD1 LEU S  81      73.217 208.222  53.629  1.00 22.71           C  
-ATOM  30451  CD2 LEU S  81      70.770 208.176  53.980  1.00 24.09           C  
-ATOM  30452  N   TRP S  82      71.467 206.155  58.364  1.00 17.71           N  
-ATOM  30453  CA  TRP S  82      72.277 205.277  59.188  1.00 17.28           C  
-ATOM  30454  C   TRP S  82      73.617 205.054  58.468  1.00 17.64           C  
-ATOM  30455  O   TRP S  82      73.666 204.896  57.227  1.00 17.48           O  
-ATOM  30456  CB  TRP S  82      71.585 203.941  59.455  1.00 16.91           C  
-ATOM  30457  CG  TRP S  82      72.433 202.982  60.248  1.00 17.16           C  
-ATOM  30458  CD1 TRP S  82      72.526 202.906  61.630  1.00 15.91           C  
-ATOM  30459  CD2 TRP S  82      73.336 201.983  59.733  1.00 16.12           C  
-ATOM  30460  NE1 TRP S  82      73.390 201.894  61.992  1.00 16.51           N  
-ATOM  30461  CE2 TRP S  82      73.895 201.297  60.861  1.00 17.23           C  
-ATOM  30462  CE3 TRP S  82      73.691 201.551  58.443  1.00 15.48           C  
-ATOM  30463  CZ2 TRP S  82      74.824 200.229  60.724  1.00 15.21           C  
-ATOM  30464  CZ3 TRP S  82      74.589 200.471  58.311  1.00 15.55           C  
-ATOM  30465  CH2 TRP S  82      75.132 199.818  59.449  1.00 15.74           C  
-ATOM  30466  N   VAL S  83      74.692 205.067  59.255  1.00 17.85           N  
-ATOM  30467  CA  VAL S  83      76.060 204.850  58.791  1.00 18.30           C  
-ATOM  30468  C   VAL S  83      76.704 203.829  59.760  1.00 18.51           C  
-ATOM  30469  O   VAL S  83      76.426 203.857  60.932  1.00 18.07           O  
-ATOM  30470  CB  VAL S  83      76.833 206.192  58.746  1.00 19.21           C  
-ATOM  30471  CG1 VAL S  83      78.300 205.982  58.626  1.00 20.76           C  
-ATOM  30472  CG2 VAL S  83      76.350 207.022  57.565  1.00 18.96           C  
-ATOM  30473  N   PRO S  84      77.489 202.871  59.257  1.00 18.73           N  
-ATOM  30474  CA  PRO S  84      78.108 201.867  60.135  1.00 18.55           C  
-ATOM  30475  C   PRO S  84      79.021 202.543  61.171  1.00 18.11           C  
-ATOM  30476  O   PRO S  84      79.720 203.458  60.833  1.00 17.90           O  
-ATOM  30477  CB  PRO S  84      78.922 200.987  59.183  1.00 18.38           C  
-ATOM  30478  CG  PRO S  84      78.624 201.438  57.821  1.00 19.33           C  
-ATOM  30479  CD  PRO S  84      77.819 202.677  57.836  1.00 18.70           C  
-ATOM  30480  N   ASP S  85      78.990 202.085  62.419  1.00 17.62           N  
-ATOM  30481  CA  ASP S  85      79.818 202.653  63.480  1.00 17.43           C  
-ATOM  30482  C   ASP S  85      81.264 202.083  63.438  1.00 17.49           C  
-ATOM  30483  O   ASP S  85      81.750 201.470  64.416  1.00 16.88           O  
-ATOM  30484  CB  ASP S  85      79.155 202.369  64.826  1.00 17.07           C  
-ATOM  30485  CG  ASP S  85      79.074 200.860  65.130  1.00 19.30           C  
-ATOM  30486  OD1 ASP S  85      79.005 200.048  64.163  1.00 18.58           O  
-ATOM  30487  OD2 ASP S  85      79.092 200.392  66.285  1.00 20.26           O  
-ATOM  30488  N   LEU S  86      81.953 202.312  62.314  1.00 17.03           N  
-ATOM  30489  CA  LEU S  86      83.292 201.759  62.117  1.00 17.08           C  
-ATOM  30490  C   LEU S  86      84.293 202.534  62.919  1.00 17.46           C  
-ATOM  30491  O   LEU S  86      84.193 203.792  63.041  1.00 18.13           O  
-ATOM  30492  CB  LEU S  86      83.671 201.802  60.646  1.00 16.95           C  
-ATOM  30493  CG  LEU S  86      82.777 200.948  59.751  1.00 17.02           C  
-ATOM  30494  CD1 LEU S  86      83.165 201.102  58.323  1.00 17.50           C  
-ATOM  30495  CD2 LEU S  86      82.822 199.453  60.188  1.00 15.60           C  
-ATOM  30496  N   ALA S  87      85.252 201.816  63.486  1.00 17.19           N  
-ATOM  30497  CA  ALA S  87      86.381 202.456  64.167  1.00 17.19           C  
-ATOM  30498  C   ALA S  87      87.673 201.734  63.877  1.00 17.31           C  
-ATOM  30499  O   ALA S  87      87.678 200.496  63.695  1.00 16.83           O  
-ATOM  30500  CB  ALA S  87      86.136 202.502  65.672  1.00 16.93           C  
-ATOM  30501  N   ALA S  88      88.765 202.495  63.851  1.00 17.32           N  
-ATOM  30502  CA  ALA S  88      90.100 201.905  63.728  1.00 17.43           C  
-ATOM  30503  C   ALA S  88      90.622 201.598  65.117  1.00 17.47           C  
-ATOM  30504  O   ALA S  88      90.811 202.521  65.924  1.00 17.55           O  
-ATOM  30505  CB  ALA S  88      91.030 202.828  62.995  1.00 17.49           C  
-ATOM  30506  N   TYR S  89      90.844 200.316  65.392  1.00 16.76           N  
-ATOM  30507  CA  TYR S  89      91.236 199.840  66.724  1.00 17.24           C  
-ATOM  30508  C   TYR S  89      92.627 200.290  67.190  1.00 16.82           C  
-ATOM  30509  O   TYR S  89      92.876 200.408  68.370  1.00 17.29           O  
-ATOM  30510  CB  TYR S  89      91.218 198.292  66.783  1.00 17.42           C  
-ATOM  30511  CG  TYR S  89      89.845 197.664  66.964  1.00 18.14           C  
-ATOM  30512  CD1 TYR S  89      88.847 197.841  66.007  1.00 18.88           C  
-ATOM  30513  CD2 TYR S  89      89.563 196.885  68.094  1.00 18.52           C  
-ATOM  30514  CE1 TYR S  89      87.578 197.248  66.157  1.00 21.55           C  
-ATOM  30515  CE2 TYR S  89      88.311 196.269  68.265  1.00 19.76           C  
-ATOM  30516  CZ  TYR S  89      87.329 196.452  67.281  1.00 22.70           C  
-ATOM  30517  OH  TYR S  89      86.094 195.871  67.443  1.00 24.65           O  
-ATOM  30518  N   ASN S  90      93.547 200.502  66.270  1.00 15.82           N  
-ATOM  30519  CA  ASN S  90      94.834 201.060  66.657  1.00 15.68           C  
-ATOM  30520  C   ASN S  90      94.994 202.585  66.384  1.00 15.45           C  
-ATOM  30521  O   ASN S  90      96.098 203.091  66.364  1.00 15.26           O  
-ATOM  30522  CB  ASN S  90      95.971 200.244  66.023  1.00 15.23           C  
-ATOM  30523  CG  ASN S  90      95.826 200.117  64.533  1.00 16.30           C  
-ATOM  30524  OD1 ASN S  90      94.709 199.974  64.012  1.00 16.56           O  
-ATOM  30525  ND2 ASN S  90      96.953 200.162  63.824  1.00 14.71           N  
-ATOM  30526  N   ALA S  91      93.895 203.306  66.188  1.00 14.95           N  
-ATOM  30527  CA  ALA S  91      93.982 204.765  66.006  1.00 15.60           C  
-ATOM  30528  C   ALA S  91      94.366 205.384  67.325  1.00 15.41           C  
-ATOM  30529  O   ALA S  91      93.929 204.918  68.394  1.00 15.08           O  
-ATOM  30530  CB  ALA S  91      92.639 205.349  65.525  1.00 15.49           C  
-ATOM  30531  N   ILE S  92      95.202 206.402  67.271  1.00 15.34           N  
-ATOM  30532  CA  ILE S  92      95.580 207.108  68.479  1.00 16.24           C  
-ATOM  30533  C   ILE S  92      95.118 208.581  68.416  1.00 17.20           C  
-ATOM  30534  O   ILE S  92      95.441 209.392  69.307  1.00 16.27           O  
-ATOM  30535  CB  ILE S  92      97.102 206.943  68.760  1.00 16.46           C  
-ATOM  30536  CG1 ILE S  92      97.932 207.417  67.565  1.00 16.18           C  
-ATOM  30537  CG2 ILE S  92      97.455 205.456  69.130  1.00 15.45           C  
-ATOM  30538  CD1 ILE S  92      99.410 207.571  67.892  1.00 16.06           C  
-ATOM  30539  N   SER S  93      94.360 208.904  67.356  1.00 17.40           N  
-ATOM  30540  CA  SER S  93      93.712 210.215  67.242  1.00 18.67           C  
-ATOM  30541  C   SER S  93      92.296 209.993  66.713  1.00 19.31           C  
-ATOM  30542  O   SER S  93      92.010 208.918  66.144  1.00 19.44           O  
-ATOM  30543  CB  SER S  93      94.523 211.164  66.340  1.00 18.78           C  
-ATOM  30544  OG  SER S  93      94.340 210.890  64.956  1.00 18.52           O  
-ATOM  30545  N   LYS S  94      91.373 210.934  66.944  1.00 20.17           N  
-ATOM  30546  CA  LYS S  94      90.043 210.835  66.313  1.00 22.03           C  
-ATOM  30547  C   LYS S  94      90.189 211.044  64.779  1.00 22.07           C  
-ATOM  30548  O   LYS S  94      91.088 211.757  64.341  1.00 21.86           O  
-ATOM  30549  CB  LYS S  94      88.967 211.739  66.979  1.00 22.62           C  
-ATOM  30550  CG  LYS S  94      89.176 213.262  66.887  1.00 27.44           C  
-ATOM  30551  CD  LYS S  94      88.629 214.024  68.159  1.00 32.02           C  
-ATOM  30552  CE  LYS S  94      87.081 213.973  68.284  1.00 34.52           C  
-ATOM  30553  NZ  LYS S  94      86.606 213.439  69.619  1.00 32.62           N  
-ATOM  30554  N   PRO S  95      89.369 210.371  63.973  1.00 22.31           N  
-ATOM  30555  CA  PRO S  95      89.477 210.546  62.520  1.00 22.40           C  
-ATOM  30556  C   PRO S  95      89.190 212.033  62.227  1.00 22.33           C  
-ATOM  30557  O   PRO S  95      88.260 212.563  62.769  1.00 22.58           O  
-ATOM  30558  CB  PRO S  95      88.368 209.659  61.940  1.00 23.07           C  
-ATOM  30559  CG  PRO S  95      87.774 208.810  63.116  1.00 23.70           C  
-ATOM  30560  CD  PRO S  95      88.298 209.435  64.387  1.00 21.93           C  
-ATOM  30561  N   GLU S  96      90.029 212.698  61.460  1.00 22.53           N  
-ATOM  30562  CA  GLU S  96      89.741 214.048  60.968  1.00 23.11           C  
-ATOM  30563  C   GLU S  96      89.150 213.872  59.563  1.00 22.01           C  
-ATOM  30564  O   GLU S  96      89.845 213.417  58.633  1.00 22.02           O  
-ATOM  30565  CB  GLU S  96      91.055 214.848  60.934  1.00 23.75           C  
-ATOM  30566  CG  GLU S  96      90.977 216.366  60.683  1.00 28.47           C  
-ATOM  30567  CD  GLU S  96      92.355 217.043  60.824  1.00 35.01           C  
-ATOM  30568  OE1 GLU S  96      93.163 216.557  61.643  1.00 38.10           O  
-ATOM  30569  OE2 GLU S  96      92.664 218.058  60.126  1.00 38.34           O  
-ATOM  30570  N   VAL S  97      87.869 214.175  59.409  1.00 20.80           N  
-ATOM  30571  CA  VAL S  97      87.234 214.119  58.103  1.00 19.80           C  
-ATOM  30572  C   VAL S  97      87.524 215.385  57.293  1.00 19.76           C  
-ATOM  30573  O   VAL S  97      87.203 216.504  57.720  1.00 19.12           O  
-ATOM  30574  CB  VAL S  97      85.719 213.876  58.202  1.00 20.53           C  
-ATOM  30575  CG1 VAL S  97      85.116 213.743  56.812  1.00 19.36           C  
-ATOM  30576  CG2 VAL S  97      85.393 212.573  59.029  1.00 19.02           C  
-ATOM  30577  N   LEU S  98      88.154 215.214  56.134  1.00 19.10           N  
-ATOM  30578  CA  LEU S  98      88.609 216.373  55.346  1.00 19.27           C  
-ATOM  30579  C   LEU S  98      87.613 216.832  54.261  1.00 19.12           C  
-ATOM  30580  O   LEU S  98      87.766 217.918  53.719  1.00 19.34           O  
-ATOM  30581  CB  LEU S  98      89.973 216.099  54.707  1.00 19.26           C  
-ATOM  30582  CG  LEU S  98      91.105 215.546  55.612  1.00 20.36           C  
-ATOM  30583  CD1 LEU S  98      92.356 215.300  54.782  1.00 19.39           C  
-ATOM  30584  CD2 LEU S  98      91.451 216.482  56.720  1.00 20.41           C  
-ATOM  30585  N   THR S  99      86.598 216.010  53.982  1.00 18.25           N  
-ATOM  30586  CA  THR S  99      85.683 216.229  52.872  1.00 18.08           C  
-ATOM  30587  C   THR S  99      84.256 216.470  53.340  1.00 18.44           C  
-ATOM  30588  O   THR S  99      83.941 216.181  54.494  1.00 18.80           O  
-ATOM  30589  CB  THR S  99      85.717 215.009  51.917  1.00 17.98           C  
-ATOM  30590  OG1 THR S  99      85.791 213.811  52.684  1.00 16.96           O  
-ATOM  30591  CG2 THR S  99      87.008 214.984  51.118  1.00 16.52           C  
-ATOM  30592  N   PRO S 100      83.396 217.012  52.469  1.00 18.64           N  
-ATOM  30593  CA  PRO S 100      81.962 217.143  52.787  1.00 18.39           C  
-ATOM  30594  C   PRO S 100      81.352 215.813  53.207  1.00 18.97           C  
-ATOM  30595  O   PRO S 100      81.585 214.777  52.569  1.00 18.42           O  
-ATOM  30596  CB  PRO S 100      81.343 217.648  51.474  1.00 18.60           C  
-ATOM  30597  CG  PRO S 100      82.497 218.409  50.802  1.00 18.98           C  
-ATOM  30598  CD  PRO S 100      83.734 217.604  51.156  1.00 18.25           C  
-ATOM  30599  N   GLN S 101      80.526 215.850  54.236  1.00 18.79           N  
-ATOM  30600  CA  GLN S 101      80.008 214.633  54.823  1.00 19.76           C  
-ATOM  30601  C   GLN S 101      78.711 214.119  54.138  1.00 19.27           C  
-ATOM  30602  O   GLN S 101      77.641 214.020  54.751  1.00 19.32           O  
-ATOM  30603  CB  GLN S 101      79.905 214.787  56.335  1.00 19.58           C  
-ATOM  30604  CG  GLN S 101      81.285 214.843  56.963  1.00 23.86           C  
-ATOM  30605  CD  GLN S 101      81.272 215.054  58.450  1.00 28.64           C  
-ATOM  30606  OE1 GLN S 101      80.548 214.374  59.158  1.00 31.73           O  
-ATOM  30607  NE2 GLN S 101      82.095 215.958  58.927  1.00 28.97           N  
-ATOM  30608  N   LEU S 102      78.845 213.784  52.855  1.00 18.90           N  
-ATOM  30609  CA  LEU S 102      77.715 213.395  52.014  1.00 18.08           C  
-ATOM  30610  C   LEU S 102      77.936 211.978  51.537  1.00 17.52           C  
-ATOM  30611  O   LEU S 102      79.057 211.604  51.214  1.00 16.75           O  
-ATOM  30612  CB  LEU S 102      77.607 214.337  50.819  1.00 18.01           C  
-ATOM  30613  CG  LEU S 102      77.432 215.851  51.084  1.00 20.67           C  
-ATOM  30614  CD1 LEU S 102      77.351 216.673  49.783  1.00 21.32           C  
-ATOM  30615  CD2 LEU S 102      76.166 216.090  51.824  1.00 20.62           C  
-ATOM  30616  N   ALA S 103      76.862 211.194  51.503  1.00 16.62           N  
-ATOM  30617  CA  ALA S 103      76.913 209.859  50.935  1.00 16.84           C  
-ATOM  30618  C   ALA S 103      76.131 209.858  49.643  1.00 16.91           C  
-ATOM  30619  O   ALA S 103      75.235 210.635  49.453  1.00 18.01           O  
-ATOM  30620  CB  ALA S 103      76.333 208.865  51.884  1.00 16.53           C  
-ATOM  30621  N   ARG S 104      76.506 208.996  48.736  1.00 16.79           N  
-ATOM  30622  CA  ARG S 104      75.817 208.813  47.486  1.00 16.34           C  
-ATOM  30623  C   ARG S 104      74.881 207.633  47.690  1.00 16.01           C  
-ATOM  30624  O   ARG S 104      75.327 206.603  48.191  1.00 15.89           O  
-ATOM  30625  CB  ARG S 104      76.847 208.497  46.414  1.00 16.06           C  
-ATOM  30626  CG  ARG S 104      76.388 208.763  45.035  1.00 18.00           C  
-ATOM  30627  CD  ARG S 104      76.119 210.211  44.695  1.00 17.71           C  
-ATOM  30628  NE  ARG S 104      75.628 210.225  43.335  1.00 16.87           N  
-ATOM  30629  CZ  ARG S 104      75.126 211.289  42.720  1.00 17.81           C  
-ATOM  30630  NH1 ARG S 104      75.053 212.487  43.356  1.00 13.93           N  
-ATOM  30631  NH2 ARG S 104      74.713 211.139  41.473  1.00 14.44           N  
-ATOM  30632  N   VAL S 105      73.593 207.814  47.352  1.00 15.38           N  
-ATOM  30633  CA  VAL S 105      72.558 206.836  47.573  1.00 14.61           C  
-ATOM  30634  C   VAL S 105      71.938 206.479  46.238  1.00 15.26           C  
-ATOM  30635  O   VAL S 105      71.482 207.355  45.502  1.00 14.98           O  
-ATOM  30636  CB  VAL S 105      71.456 207.353  48.532  1.00 15.38           C  
-ATOM  30637  CG1 VAL S 105      70.320 206.292  48.703  1.00 14.18           C  
-ATOM  30638  CG2 VAL S 105      72.047 207.802  49.924  1.00 14.83           C  
-ATOM  30639  N   VAL S 106      71.934 205.188  45.910  1.00 14.60           N  
-ATOM  30640  CA  VAL S 106      71.292 204.721  44.689  1.00 15.09           C  
-ATOM  30641  C   VAL S 106      69.841 204.327  45.024  1.00 14.98           C  
-ATOM  30642  O   VAL S 106      69.522 204.041  46.196  1.00 14.51           O  
-ATOM  30643  CB  VAL S 106      72.100 203.529  44.058  1.00 15.34           C  
-ATOM  30644  CG1 VAL S 106      71.558 203.107  42.695  1.00 13.68           C  
-ATOM  30645  CG2 VAL S 106      73.576 203.901  43.943  1.00 15.47           C  
-ATOM  30646  N   SER S 107      68.979 204.325  44.018  1.00 15.24           N  
-ATOM  30647  CA  SER S 107      67.542 204.117  44.206  1.00 15.87           C  
-ATOM  30648  C   SER S 107      67.207 202.721  44.703  1.00 16.36           C  
-ATOM  30649  O   SER S 107      66.124 202.507  45.228  1.00 16.07           O  
-ATOM  30650  CB  SER S 107      66.778 204.396  42.907  1.00 15.43           C  
-ATOM  30651  OG  SER S 107      67.091 203.454  41.913  1.00 15.47           O  
-ATOM  30652  N   ASP S 108      68.117 201.761  44.540  1.00 17.07           N  
-ATOM  30653  CA  ASP S 108      67.856 200.428  45.093  1.00 18.26           C  
-ATOM  30654  C   ASP S 108      68.252 200.321  46.580  1.00 18.30           C  
-ATOM  30655  O   ASP S 108      68.099 199.259  47.181  1.00 18.19           O  
-ATOM  30656  CB  ASP S 108      68.512 199.309  44.262  1.00 18.66           C  
-ATOM  30657  CG  ASP S 108      70.030 199.417  44.188  1.00 21.62           C  
-ATOM  30658  OD1 ASP S 108      70.665 200.298  44.866  1.00 23.71           O  
-ATOM  30659  OD2 ASP S 108      70.681 198.622  43.476  1.00 24.71           O  
-ATOM  30660  N   GLY S 109      68.738 201.423  47.163  1.00 17.95           N  
-ATOM  30661  CA  GLY S 109      69.190 201.434  48.543  1.00 17.70           C  
-ATOM  30662  C   GLY S 109      70.692 201.263  48.786  1.00 17.93           C  
-ATOM  30663  O   GLY S 109      71.126 201.278  49.954  1.00 18.38           O  
-ATOM  30664  N   GLU S 110      71.491 201.109  47.736  1.00 17.76           N  
-ATOM  30665  CA  GLU S 110      72.947 201.016  47.907  1.00 18.70           C  
-ATOM  30666  C   GLU S 110      73.504 202.397  48.294  1.00 18.02           C  
-ATOM  30667  O   GLU S 110      73.135 203.432  47.717  1.00 17.46           O  
-ATOM  30668  CB  GLU S 110      73.678 200.559  46.652  1.00 19.26           C  
-ATOM  30669  CG  GLU S 110      73.437 199.130  46.182  1.00 24.44           C  
-ATOM  30670  CD  GLU S 110      73.761 198.107  47.252  1.00 31.17           C  
-ATOM  30671  OE1 GLU S 110      74.906 198.107  47.799  1.00 33.54           O  
-ATOM  30672  OE2 GLU S 110      72.848 197.319  47.558  1.00 34.22           O  
-ATOM  30673  N   VAL S 111      74.385 202.392  49.280  1.00 16.91           N  
-ATOM  30674  CA  VAL S 111      75.001 203.616  49.745  1.00 16.41           C  
-ATOM  30675  C   VAL S 111      76.520 203.516  49.579  1.00 16.75           C  
-ATOM  30676  O   VAL S 111      77.126 202.488  49.899  1.00 16.18           O  
-ATOM  30677  CB  VAL S 111      74.644 203.887  51.239  1.00 16.36           C  
-ATOM  30678  CG1 VAL S 111      75.214 205.226  51.707  1.00 15.70           C  
-ATOM  30679  CG2 VAL S 111      73.169 203.812  51.486  1.00 14.35           C  
-ATOM  30680  N   LEU S 112      77.119 204.582  49.082  1.00 16.65           N  
-ATOM  30681  CA  LEU S 112      78.577 204.743  49.056  1.00 17.18           C  
-ATOM  30682  C   LEU S 112      78.927 206.009  49.837  1.00 17.01           C  
-ATOM  30683  O   LEU S 112      78.490 207.093  49.432  1.00 16.54           O  
-ATOM  30684  CB  LEU S 112      79.069 204.868  47.610  1.00 17.01           C  
-ATOM  30685  CG  LEU S 112      80.527 205.351  47.464  1.00 19.38           C  
-ATOM  30686  CD1 LEU S 112      81.557 204.363  48.080  1.00 16.69           C  
-ATOM  30687  CD2 LEU S 112      80.862 205.614  45.990  1.00 19.89           C  
-ATOM  30688  N   TYR S 113      79.627 205.846  50.958  1.00 16.99           N  
-ATOM  30689  CA  TYR S 113      80.195 206.914  51.758  1.00 17.80           C  
-ATOM  30690  C   TYR S 113      81.722 206.765  51.700  1.00 17.82           C  
-ATOM  30691  O   TYR S 113      82.252 205.701  52.057  1.00 17.74           O  
-ATOM  30692  CB  TYR S 113      79.699 206.852  53.203  1.00 17.69           C  
-ATOM  30693  CG  TYR S 113      80.189 207.989  54.061  1.00 19.05           C  
-ATOM  30694  CD1 TYR S 113      80.247 209.292  53.566  1.00 20.06           C  
-ATOM  30695  CD2 TYR S 113      80.674 207.754  55.361  1.00 20.38           C  
-ATOM  30696  CE1 TYR S 113      80.727 210.352  54.368  1.00 22.15           C  
-ATOM  30697  CE2 TYR S 113      81.152 208.800  56.159  1.00 19.83           C  
-ATOM  30698  CZ  TYR S 113      81.176 210.100  55.643  1.00 22.77           C  
-ATOM  30699  OH  TYR S 113      81.666 211.122  56.423  1.00 26.22           O  
-ATOM  30700  N   MET S 114      82.409 207.798  51.218  1.00 17.02           N  
-ATOM  30701  CA  MET S 114      83.845 207.765  50.998  1.00 17.52           C  
-ATOM  30702  C   MET S 114      84.536 209.090  51.470  1.00 17.30           C  
-ATOM  30703  O   MET S 114      84.984 209.885  50.647  1.00 16.72           O  
-ATOM  30704  CB  MET S 114      84.132 207.503  49.520  1.00 17.91           C  
-ATOM  30705  CG  MET S 114      85.593 207.236  49.204  1.00 21.06           C  
-ATOM  30706  SD  MET S 114      85.952 206.319  47.650  1.00 27.39           S  
-ATOM  30707  CE  MET S 114      84.404 206.306  46.953  1.00 26.79           C  
-ATOM  30708  N   PRO S 115      84.632 209.308  52.789  1.00 16.73           N  
-ATOM  30709  CA  PRO S 115      85.294 210.523  53.316  1.00 16.84           C  
-ATOM  30710  C   PRO S 115      86.846 210.423  53.139  1.00 17.10           C  
-ATOM  30711  O   PRO S 115      87.405 209.304  53.136  1.00 16.87           O  
-ATOM  30712  CB  PRO S 115      84.932 210.513  54.787  1.00 16.81           C  
-ATOM  30713  CG  PRO S 115      84.660 208.941  55.112  1.00 16.52           C  
-ATOM  30714  CD  PRO S 115      84.145 208.402  53.848  1.00 16.78           C  
-ATOM  30715  N   SER S 116      87.509 211.551  52.940  1.00 16.51           N  
-ATOM  30716  CA  SER S 116      88.946 211.593  53.122  1.00 16.91           C  
-ATOM  30717  C   SER S 116      89.249 211.796  54.609  1.00 17.01           C  
-ATOM  30718  O   SER S 116      88.681 212.680  55.287  1.00 17.00           O  
-ATOM  30719  CB  SER S 116      89.591 212.675  52.285  1.00 17.12           C  
-ATOM  30720  OG  SER S 116      91.017 212.629  52.454  1.00 18.51           O  
-ATOM  30721  N   ILE S 117      90.104 210.940  55.146  1.00 17.41           N  
-ATOM  30722  CA  ILE S 117      90.331 210.956  56.579  1.00 17.82           C  
-ATOM  30723  C   ILE S 117      91.783 211.143  56.870  1.00 17.59           C  
-ATOM  30724  O   ILE S 117      92.624 210.508  56.248  1.00 17.68           O  
-ATOM  30725  CB  ILE S 117      89.780 209.645  57.238  1.00 18.30           C  
-ATOM  30726  CG1 ILE S 117      88.256 209.672  57.211  1.00 19.92           C  
-ATOM  30727  CG2 ILE S 117      90.301 209.486  58.702  1.00 17.62           C  
-ATOM  30728  CD1 ILE S 117      87.620 208.457  57.829  1.00 21.34           C  
-ATOM  30729  N   ARG S 118      92.083 212.029  57.801  1.00 17.62           N  
-ATOM  30730  CA  ARG S 118      93.422 212.082  58.359  1.00 18.04           C  
-ATOM  30731  C   ARG S 118      93.392 211.505  59.786  1.00 17.61           C  
-ATOM  30732  O   ARG S 118      92.573 211.883  60.618  1.00 17.58           O  
-ATOM  30733  CB  ARG S 118      93.986 213.498  58.341  1.00 18.09           C  
-ATOM  30734  CG  ARG S 118      95.424 213.564  58.841  1.00 19.91           C  
-ATOM  30735  CD  ARG S 118      95.977 214.987  59.021  1.00 23.21           C  
-ATOM  30736  NE  ARG S 118      97.377 214.951  59.443  1.00 26.71           N  
-ATOM  30737  CZ  ARG S 118      98.312 215.854  59.091  1.00 28.16           C  
-ATOM  30738  NH1 ARG S 118      98.020 216.879  58.285  1.00 27.93           N  
-ATOM  30739  NH2 ARG S 118      99.557 215.729  59.544  1.00 27.70           N  
-ATOM  30740  N   GLN S 119      94.282 210.575  60.063  1.00 17.36           N  
-ATOM  30741  CA  GLN S 119      94.290 209.898  61.370  1.00 17.14           C  
-ATOM  30742  C   GLN S 119      95.678 209.341  61.708  1.00 16.83           C  
-ATOM  30743  O   GLN S 119      96.415 208.924  60.821  1.00 16.70           O  
-ATOM  30744  CB  GLN S 119      93.248 208.771  61.374  1.00 17.07           C  
-ATOM  30745  CG  GLN S 119      92.842 208.306  62.755  1.00 17.70           C  
-ATOM  30746  CD  GLN S 119      91.567 207.470  62.754  1.00 18.40           C  
-ATOM  30747  OE1 GLN S 119      91.229 206.828  61.768  1.00 19.90           O  
-ATOM  30748  NE2 GLN S 119      90.835 207.519  63.861  1.00 18.24           N  
-ATOM  30749  N   ARG S 120      96.023 209.352  62.991  1.00 16.23           N  
-ATOM  30750  CA  ARG S 120      97.277 208.780  63.464  1.00 16.56           C  
-ATOM  30751  C   ARG S 120      97.053 207.375  64.020  1.00 16.35           C  
-ATOM  30752  O   ARG S 120      96.059 207.131  64.728  1.00 15.43           O  
-ATOM  30753  CB  ARG S 120      97.892 209.638  64.559  1.00 16.87           C  
-ATOM  30754  CG  ARG S 120      98.443 210.949  64.062  1.00 21.35           C  
-ATOM  30755  CD  ARG S 120      99.090 211.810  65.160  1.00 29.35           C  
-ATOM  30756  NE  ARG S 120      98.100 212.367  66.098  1.00 34.94           N  
-ATOM  30757  CZ  ARG S 120      98.382 212.901  67.307  1.00 39.08           C  
-ATOM  30758  NH1 ARG S 120      99.638 212.977  67.763  1.00 39.73           N  
-ATOM  30759  NH2 ARG S 120      97.391 213.371  68.063  1.00 40.00           N  
-ATOM  30760  N   PHE S 121      97.996 206.469  63.737  1.00 15.67           N  
-ATOM  30761  CA  PHE S 121      97.874 205.070  64.181  1.00 15.15           C  
-ATOM  30762  C   PHE S 121      99.133 204.637  64.922  1.00 15.56           C  
-ATOM  30763  O   PHE S 121     100.205 205.201  64.735  1.00 15.37           O  
-ATOM  30764  CB  PHE S 121      97.582 204.114  62.989  1.00 13.79           C  
-ATOM  30765  CG  PHE S 121      96.354 204.487  62.217  1.00 14.45           C  
-ATOM  30766  CD1 PHE S 121      96.430 205.442  61.161  1.00 14.20           C  
-ATOM  30767  CD2 PHE S 121      95.097 203.921  62.543  1.00 13.19           C  
-ATOM  30768  CE1 PHE S 121      95.280 205.798  60.446  1.00 12.21           C  
-ATOM  30769  CE2 PHE S 121      93.934 204.292  61.848  1.00 11.80           C  
-ATOM  30770  CZ  PHE S 121      94.014 205.246  60.812  1.00 10.18           C  
-ATOM  30771  N   SER S 122      98.964 203.663  65.801  1.00 15.94           N  
-ATOM  30772  CA  SER S 122     100.055 202.952  66.435  1.00 16.65           C  
-ATOM  30773  C   SER S 122     100.237 201.671  65.638  1.00 17.23           C  
-ATOM  30774  O   SER S 122      99.304 200.875  65.529  1.00 16.46           O  
-ATOM  30775  CB  SER S 122      99.677 202.609  67.870  1.00 16.01           C  
-ATOM  30776  OG  SER S 122     100.519 201.575  68.383  1.00 16.73           O  
-ATOM  30777  N   CYS S 123     101.420 201.493  65.065  1.00 18.07           N  
-ATOM  30778  CA  CYS S 123     101.721 200.286  64.303  1.00 20.05           C  
-ATOM  30779  C   CYS S 123     103.225 200.111  64.046  1.00 19.76           C  
-ATOM  30780  O   CYS S 123     104.037 200.979  64.395  1.00 19.57           O  
-ATOM  30781  CB  CYS S 123     100.960 200.314  62.978  1.00 20.97           C  
-ATOM  30782  SG  CYS S 123     101.462 201.682  61.931  1.00 25.98           S  
-ATOM  30783  N   ASP S 124     103.580 198.985  63.435  1.00 19.76           N  
-ATOM  30784  CA  ASP S 124     104.969 198.635  63.171  1.00 19.71           C  
-ATOM  30785  C   ASP S 124     105.618 199.524  62.107  1.00 19.49           C  
-ATOM  30786  O   ASP S 124     105.369 199.382  60.910  1.00 19.62           O  
-ATOM  30787  CB  ASP S 124     105.064 197.165  62.764  1.00 19.60           C  
-ATOM  30788  CG  ASP S 124     106.450 196.597  62.951  1.00 20.30           C  
-ATOM  30789  OD1 ASP S 124     107.398 197.330  63.314  1.00 19.64           O  
-ATOM  30790  OD2 ASP S 124     106.688 195.399  62.749  1.00 21.59           O  
-ATOM  30791  N   VAL S 125     106.468 200.433  62.550  1.00 19.09           N  
-ATOM  30792  CA  VAL S 125     107.161 201.318  61.632  1.00 18.82           C  
-ATOM  30793  C   VAL S 125     108.585 200.825  61.310  1.00 18.67           C  
-ATOM  30794  O   VAL S 125     109.262 201.385  60.449  1.00 18.39           O  
-ATOM  30795  CB  VAL S 125     107.125 202.776  62.160  1.00 19.04           C  
-ATOM  30796  CG1 VAL S 125     107.880 203.681  61.278  1.00 19.35           C  
-ATOM  30797  CG2 VAL S 125     105.682 203.264  62.257  1.00 18.59           C  
-ATOM  30798  N   SER S 126     109.028 199.757  61.975  1.00 18.49           N  
-ATOM  30799  CA  SER S 126     110.371 199.233  61.754  1.00 18.52           C  
-ATOM  30800  C   SER S 126     110.569 198.843  60.297  1.00 18.26           C  
-ATOM  30801  O   SER S 126     109.642 198.356  59.644  1.00 17.86           O  
-ATOM  30802  CB  SER S 126     110.661 198.048  62.665  1.00 18.56           C  
-ATOM  30803  OG  SER S 126     109.832 196.951  62.331  1.00 19.21           O  
-ATOM  30804  N   GLY S 127     111.776 199.096  59.797  1.00 18.05           N  
-ATOM  30805  CA  GLY S 127     112.134 198.843  58.410  1.00 17.64           C  
-ATOM  30806  C   GLY S 127     111.680 199.885  57.388  1.00 17.42           C  
-ATOM  30807  O   GLY S 127     111.919 199.703  56.199  1.00 17.39           O  
-ATOM  30808  N   VAL S 128     111.056 200.976  57.830  1.00 16.99           N  
-ATOM  30809  CA  VAL S 128     110.576 202.017  56.899  1.00 17.32           C  
-ATOM  30810  C   VAL S 128     111.668 202.541  55.941  1.00 17.40           C  
-ATOM  30811  O   VAL S 128     111.371 202.975  54.836  1.00 17.43           O  
-ATOM  30812  CB  VAL S 128     109.857 203.189  57.624  1.00 17.20           C  
-ATOM  30813  CG1 VAL S 128     110.833 204.047  58.401  1.00 17.02           C  
-ATOM  30814  CG2 VAL S 128     109.105 204.043  56.641  1.00 17.36           C  
-ATOM  30815  N   ASP S 129     112.924 202.458  56.339  1.00 17.31           N  
-ATOM  30816  CA  ASP S 129     113.998 203.000  55.514  1.00 18.73           C  
-ATOM  30817  C   ASP S 129     114.899 201.879  54.953  1.00 18.66           C  
-ATOM  30818  O   ASP S 129     116.034 202.112  54.581  1.00 18.88           O  
-ATOM  30819  CB  ASP S 129     114.770 204.072  56.309  1.00 18.83           C  
-ATOM  30820  CG  ASP S 129     115.936 204.668  55.538  1.00 21.47           C  
-ATOM  30821  OD1 ASP S 129     115.743 205.147  54.382  1.00 22.57           O  
-ATOM  30822  OD2 ASP S 129     117.103 204.685  56.025  1.00 24.73           O  
-ATOM  30823  N   THR S 130     114.371 200.657  54.905  1.00 19.27           N  
-ATOM  30824  CA  THR S 130     115.014 199.539  54.212  1.00 19.49           C  
-ATOM  30825  C   THR S 130     114.348 199.385  52.848  1.00 19.32           C  
-ATOM  30826  O   THR S 130     113.470 200.169  52.501  1.00 19.40           O  
-ATOM  30827  CB  THR S 130     114.952 198.201  55.045  1.00 19.81           C  
-ATOM  30828  OG1 THR S 130     113.593 197.860  55.358  1.00 19.85           O  
-ATOM  30829  CG2 THR S 130     115.604 198.371  56.423  1.00 19.84           C  
-ATOM  30830  N   GLU S 131     114.776 198.392  52.079  1.00 19.23           N  
-ATOM  30831  CA  GLU S 131     114.243 198.127  50.742  1.00 19.63           C  
-ATOM  30832  C   GLU S 131     112.899 197.408  50.854  1.00 18.95           C  
-ATOM  30833  O   GLU S 131     112.007 197.584  50.036  1.00 18.31           O  
-ATOM  30834  CB  GLU S 131     115.251 197.254  49.968  1.00 20.19           C  
-ATOM  30835  CG  GLU S 131     114.952 197.025  48.493  1.00 22.57           C  
-ATOM  30836  CD  GLU S 131     116.220 196.739  47.699  1.00 26.59           C  
-ATOM  30837  OE1 GLU S 131     116.952 195.790  48.069  1.00 27.91           O  
-ATOM  30838  OE2 GLU S 131     116.500 197.464  46.709  1.00 27.59           O  
-ATOM  30839  N   SER S 132     112.784 196.591  51.892  1.00 18.57           N  
-ATOM  30840  CA  SER S 132     111.607 195.778  52.127  1.00 18.77           C  
-ATOM  30841  C   SER S 132     110.496 196.624  52.731  1.00 18.67           C  
-ATOM  30842  O   SER S 132     109.339 196.246  52.660  1.00 18.80           O  
-ATOM  30843  CB  SER S 132     111.935 194.594  53.045  1.00 18.18           C  
-ATOM  30844  OG  SER S 132     113.187 194.011  52.714  1.00 19.01           O  
-ATOM  30845  N   GLY S 133     110.863 197.750  53.340  1.00 18.54           N  
-ATOM  30846  CA  GLY S 133     109.907 198.680  53.916  1.00 18.17           C  
-ATOM  30847  C   GLY S 133     109.294 198.255  55.235  1.00 18.28           C  
-ATOM  30848  O   GLY S 133     109.571 197.177  55.752  1.00 17.71           O  
-ATOM  30849  N   ALA S 134     108.444 199.117  55.776  1.00 18.27           N  
-ATOM  30850  CA  ALA S 134     107.673 198.805  56.956  1.00 18.66           C  
-ATOM  30851  C   ALA S 134     106.307 198.280  56.535  1.00 19.21           C  
-ATOM  30852  O   ALA S 134     105.863 198.538  55.421  1.00 18.92           O  
-ATOM  30853  CB  ALA S 134     107.528 200.033  57.801  1.00 17.78           C  
-ATOM  30854  N   THR S 135     105.654 197.524  57.420  1.00 20.03           N  
-ATOM  30855  CA  THR S 135     104.253 197.159  57.217  1.00 20.73           C  
-ATOM  30856  C   THR S 135     103.442 197.567  58.432  1.00 21.48           C  
-ATOM  30857  O   THR S 135     103.584 196.986  59.511  1.00 21.50           O  
-ATOM  30858  CB  THR S 135     104.018 195.660  56.888  1.00 20.73           C  
-ATOM  30859  OG1 THR S 135     104.883 195.225  55.827  1.00 20.58           O  
-ATOM  30860  CG2 THR S 135     102.612 195.493  56.295  1.00 19.58           C  
-ATOM  30861  N   CYS S 136     102.612 198.581  58.215  1.00 21.64           N  
-ATOM  30862  CA  CYS S 136     101.678 199.106  59.174  1.00 22.86           C  
-ATOM  30863  C   CYS S 136     100.293 198.461  58.967  1.00 22.46           C  
-ATOM  30864  O   CYS S 136      99.725 198.520  57.871  1.00 22.52           O  
-ATOM  30865  CB  CYS S 136     101.589 200.625  58.998  1.00 23.27           C  
-ATOM  30866  SG  CYS S 136     100.438 201.436  60.164  1.00 29.34           S  
-ATOM  30867  N   ARG S 137      99.758 197.854  60.023  1.00 22.02           N  
-ATOM  30868  CA  ARG S 137      98.479 197.152  59.990  1.00 21.55           C  
-ATOM  30869  C   ARG S 137      97.401 198.031  60.615  1.00 20.73           C  
-ATOM  30870  O   ARG S 137      97.553 198.482  61.755  1.00 20.10           O  
-ATOM  30871  CB  ARG S 137      98.586 195.866  60.829  1.00 21.88           C  
-ATOM  30872  CG  ARG S 137      98.237 194.593  60.110  1.00 24.90           C  
-ATOM  30873  CD  ARG S 137      99.095 193.351  60.534  1.00 29.62           C  
-ATOM  30874  NE  ARG S 137     100.545 193.469  60.271  1.00 31.32           N  
-ATOM  30875  CZ  ARG S 137     101.173 193.042  59.164  1.00 33.08           C  
-ATOM  30876  NH1 ARG S 137     100.494 192.476  58.163  1.00 32.52           N  
-ATOM  30877  NH2 ARG S 137     102.496 193.196  59.053  1.00 33.06           N  
-ATOM  30878  N   ILE S 138      96.314 198.274  59.883  1.00 19.60           N  
-ATOM  30879  CA  ILE S 138      95.210 199.066  60.416  1.00 18.81           C  
-ATOM  30880  C   ILE S 138      93.987 198.160  60.544  1.00 18.37           C  
-ATOM  30881  O   ILE S 138      93.566 197.510  59.579  1.00 17.75           O  
-ATOM  30882  CB  ILE S 138      94.912 200.300  59.521  1.00 18.61           C  
-ATOM  30883  CG1 ILE S 138      96.060 201.303  59.578  1.00 18.23           C  
-ATOM  30884  CG2 ILE S 138      93.589 200.962  59.899  1.00 18.94           C  
-ATOM  30885  CD1 ILE S 138      95.883 202.478  58.602  1.00 21.03           C  
-ATOM  30886  N   LYS S 139      93.419 198.139  61.744  1.00 17.57           N  
-ATOM  30887  CA  LYS S 139      92.312 197.252  62.070  1.00 17.31           C  
-ATOM  30888  C   LYS S 139      91.024 198.043  62.168  1.00 16.97           C  
-ATOM  30889  O   LYS S 139      90.898 198.889  63.039  1.00 16.91           O  
-ATOM  30890  CB  LYS S 139      92.593 196.528  63.409  1.00 17.36           C  
-ATOM  30891  CG  LYS S 139      91.343 195.969  64.120  1.00 18.11           C  
-ATOM  30892  CD  LYS S 139      91.646 194.637  64.883  1.00 21.64           C  
-ATOM  30893  CE  LYS S 139      90.803 194.538  66.176  1.00 21.34           C  
-ATOM  30894  NZ  LYS S 139      90.990 193.265  66.964  1.00 26.64           N  
-ATOM  30895  N   ILE S 140      90.073 197.768  61.281  1.00 16.51           N  
-ATOM  30896  CA  ILE S 140      88.799 198.495  61.283  1.00 16.51           C  
-ATOM  30897  C   ILE S 140      87.595 197.574  61.389  1.00 16.04           C  
-ATOM  30898  O   ILE S 140      87.517 196.564  60.687  1.00 15.43           O  
-ATOM  30899  CB  ILE S 140      88.690 199.386  60.057  1.00 15.50           C  
-ATOM  30900  CG1 ILE S 140      89.712 200.494  60.185  1.00 17.77           C  
-ATOM  30901  CG2 ILE S 140      87.306 199.991  59.948  1.00 15.09           C  
-ATOM  30902  CD1 ILE S 140      89.857 201.328  58.906  1.00 21.39           C  
-ATOM  30903  N   GLY S 141      86.663 197.922  62.271  1.00 14.86           N  
-ATOM  30904  CA  GLY S 141      85.475 197.104  62.476  1.00 14.66           C  
-ATOM  30905  C   GLY S 141      84.334 197.855  63.122  1.00 14.57           C  
-ATOM  30906  O   GLY S 141      84.510 199.002  63.571  1.00 14.87           O  
-ATOM  30907  N   SER S 142      83.145 197.265  63.153  1.00 13.47           N  
-ATOM  30908  CA  SER S 142      82.072 197.918  63.895  1.00 13.91           C  
-ATOM  30909  C   SER S 142      82.431 197.913  65.382  1.00 13.84           C  
-ATOM  30910  O   SER S 142      82.881 196.872  65.914  1.00 12.86           O  
-ATOM  30911  CB  SER S 142      80.713 197.250  63.698  1.00 13.53           C  
-ATOM  30912  OG  SER S 142      79.815 197.613  64.738  1.00 13.08           O  
-ATOM  30913  N   TRP S 143      82.232 199.050  66.031  1.00 12.24           N  
-ATOM  30914  CA  TRP S 143      82.519 199.155  67.451  1.00 11.89           C  
-ATOM  30915  C   TRP S 143      81.531 198.454  68.368  1.00 11.79           C  
-ATOM  30916  O   TRP S 143      81.903 197.929  69.407  1.00 11.50           O  
-ATOM  30917  CB  TRP S 143      82.581 200.626  67.866  1.00 10.09           C  
-ATOM  30918  CG  TRP S 143      83.217 200.798  69.177  1.00 10.34           C  
-ATOM  30919  CD1 TRP S 143      82.629 201.284  70.296  1.00 13.02           C  
-ATOM  30920  CD2 TRP S 143      84.570 200.487  69.541  1.00  9.88           C  
-ATOM  30921  NE1 TRP S 143      83.540 201.341  71.326  1.00 13.64           N  
-ATOM  30922  CE2 TRP S 143      84.742 200.860  70.879  1.00 12.59           C  
-ATOM  30923  CE3 TRP S 143      85.671 199.989  68.851  1.00 14.06           C  
-ATOM  30924  CZ2 TRP S 143      85.949 200.683  71.565  1.00 16.76           C  
-ATOM  30925  CZ3 TRP S 143      86.875 199.833  69.524  1.00 14.10           C  
-ATOM  30926  CH2 TRP S 143      87.001 200.169  70.870  1.00 16.48           C  
-ATOM  30927  N   THR S 144      80.247 198.554  68.052  1.00 11.53           N  
-ATOM  30928  CA  THR S 144      79.246 197.959  68.903  1.00 11.14           C  
-ATOM  30929  C   THR S 144      78.392 196.857  68.272  1.00 11.34           C  
-ATOM  30930  O   THR S 144      77.554 196.334  68.989  1.00 11.22           O  
-ATOM  30931  CB  THR S 144      78.220 198.956  69.431  1.00 11.46           C  
-ATOM  30932  OG1 THR S 144      77.435 199.398  68.313  1.00 10.52           O  
-ATOM  30933  CG2 THR S 144      78.866 200.191  70.055  1.00 12.58           C  
-ATOM  30934  N   HIS S 145      78.510 196.584  66.971  1.00 10.73           N  
-ATOM  30935  CA  HIS S 145      77.639 195.586  66.328  1.00 11.12           C  
-ATOM  30936  C   HIS S 145      78.405 194.311  66.035  1.00 10.99           C  
-ATOM  30937  O   HIS S 145      79.354 194.320  65.248  1.00 11.06           O  
-ATOM  30938  CB  HIS S 145      77.030 196.083  65.004  1.00 10.40           C  
-ATOM  30939  CG  HIS S 145      75.884 197.014  65.200  1.00 10.00           C  
-ATOM  30940  ND1 HIS S 145      76.021 198.373  65.062  1.00  9.31           N  
-ATOM  30941  CD2 HIS S 145      74.624 196.800  65.637  1.00  4.01           C  
-ATOM  30942  CE1 HIS S 145      74.869 198.961  65.345  1.00 11.27           C  
-ATOM  30943  NE2 HIS S 145      74.010 198.024  65.710  1.00 12.43           N  
-ATOM  30944  N   HIS S 146      77.990 193.239  66.664  1.00 10.64           N  
-ATOM  30945  CA  HIS S 146      78.647 191.928  66.480  1.00 11.14           C  
-ATOM  30946  C   HIS S 146      78.361 191.296  65.079  1.00 11.51           C  
-ATOM  30947  O   HIS S 146      77.578 191.815  64.298  1.00 11.12           O  
-ATOM  30948  CB  HIS S 146      78.253 190.969  67.612  1.00  9.76           C  
-ATOM  30949  CG  HIS S 146      76.797 190.584  67.605  1.00 11.20           C  
-ATOM  30950  ND1 HIS S 146      75.981 190.711  68.710  1.00 13.04           N  
-ATOM  30951  CD2 HIS S 146      76.012 190.077  66.627  1.00  9.64           C  
-ATOM  30952  CE1 HIS S 146      74.756 190.319  68.410  1.00 10.28           C  
-ATOM  30953  NE2 HIS S 146      74.747 189.933  67.149  1.00 10.03           N  
-ATOM  30954  N   SER S 147      78.970 190.138  64.815  1.00 11.89           N  
-ATOM  30955  CA  SER S 147      78.903 189.496  63.491  1.00 11.96           C  
-ATOM  30956  C   SER S 147      77.496 189.169  62.985  1.00 12.03           C  
-ATOM  30957  O   SER S 147      77.287 189.107  61.801  1.00 12.51           O  
-ATOM  30958  CB  SER S 147      79.764 188.235  63.455  1.00 12.08           C  
-ATOM  30959  OG  SER S 147      79.132 187.221  64.186  1.00  9.11           O  
-ATOM  30960  N   ARG S 148      76.522 188.964  63.864  1.00 12.53           N  
-ATOM  30961  CA  ARG S 148      75.143 188.771  63.407  1.00 12.53           C  
-ATOM  30962  C   ARG S 148      74.439 190.076  62.954  1.00 12.70           C  
-ATOM  30963  O   ARG S 148      73.358 190.029  62.328  1.00 12.60           O  
-ATOM  30964  CB  ARG S 148      74.319 188.054  64.461  1.00 12.23           C  
-ATOM  30965  CG  ARG S 148      74.826 186.638  64.783  1.00 14.21           C  
-ATOM  30966  CD  ARG S 148      73.873 185.838  65.651  1.00 18.97           C  
-ATOM  30967  NE  ARG S 148      73.576 186.489  66.938  1.00 21.31           N  
-ATOM  30968  CZ  ARG S 148      72.358 186.890  67.345  1.00 24.31           C  
-ATOM  30969  NH1 ARG S 148      71.267 186.719  66.582  1.00 23.15           N  
-ATOM  30970  NH2 ARG S 148      72.222 187.461  68.536  1.00 24.45           N  
-ATOM  30971  N   GLU S 149      75.056 191.217  63.238  1.00 12.10           N  
-ATOM  30972  CA  GLU S 149      74.442 192.504  62.877  1.00 12.68           C  
-ATOM  30973  C   GLU S 149      75.224 193.223  61.803  1.00 12.55           C  
-ATOM  30974  O   GLU S 149      74.621 193.756  60.893  1.00 12.08           O  
-ATOM  30975  CB  GLU S 149      74.220 193.391  64.105  1.00 11.35           C  
-ATOM  30976  CG  GLU S 149      73.180 192.758  65.048  1.00 15.48           C  
-ATOM  30977  CD  GLU S 149      72.978 193.514  66.380  1.00 19.20           C  
-ATOM  30978  OE1 GLU S 149      73.727 194.480  66.666  1.00 15.15           O  
-ATOM  30979  OE2 GLU S 149      72.076 193.110  67.156  1.00 19.44           O  
-ATOM  30980  N   ILE S 150      76.556 193.253  61.928  1.00 12.60           N  
-ATOM  30981  CA  ILE S 150      77.390 193.773  60.886  1.00 13.31           C  
-ATOM  30982  C   ILE S 150      78.480 192.764  60.502  1.00 14.48           C  
-ATOM  30983  O   ILE S 150      79.197 192.251  61.355  1.00 14.64           O  
-ATOM  30984  CB  ILE S 150      78.026 195.144  61.283  1.00 12.44           C  
-ATOM  30985  CG1 ILE S 150      76.967 196.257  61.370  1.00 11.96           C  
-ATOM  30986  CG2 ILE S 150      79.056 195.549  60.256  1.00 10.75           C  
-ATOM  30987  CD1 ILE S 150      77.538 197.719  61.669  1.00 14.73           C  
-ATOM  30988  N   SER S 151      78.616 192.522  59.209  1.00 15.74           N  
-ATOM  30989  CA  SER S 151      79.805 191.863  58.679  1.00 17.89           C  
-ATOM  30990  C   SER S 151      80.630 192.884  57.914  1.00 19.10           C  
-ATOM  30991  O   SER S 151      80.052 193.740  57.240  1.00 19.46           O  
-ATOM  30992  CB  SER S 151      79.405 190.718  57.748  1.00 17.53           C  
-ATOM  30993  OG  SER S 151      78.799 191.235  56.577  1.00 18.19           O  
-ATOM  30994  N   VAL S 152      81.952 192.827  58.039  1.00 20.71           N  
-ATOM  30995  CA  VAL S 152      82.834 193.688  57.272  1.00 22.98           C  
-ATOM  30996  C   VAL S 152      83.623 192.877  56.293  1.00 24.96           C  
-ATOM  30997  O   VAL S 152      84.160 191.803  56.631  1.00 24.89           O  
-ATOM  30998  CB  VAL S 152      83.832 194.449  58.120  1.00 23.24           C  
-ATOM  30999  CG1 VAL S 152      83.345 195.860  58.381  1.00 24.91           C  
-ATOM  31000  CG2 VAL S 152      84.069 193.736  59.405  1.00 24.22           C  
-ATOM  31001  N   ASP S 153      83.685 193.394  55.067  1.00 28.38           N  
-ATOM  31002  CA  ASP S 153      84.443 192.726  54.009  1.00 31.62           C  
-ATOM  31003  C   ASP S 153      85.271 193.680  53.182  1.00 33.46           C  
-ATOM  31004  O   ASP S 153      84.868 194.828  52.988  1.00 33.24           O  
-ATOM  31005  CB  ASP S 153      83.506 191.929  53.126  1.00 32.11           C  
-ATOM  31006  CG  ASP S 153      83.249 190.568  53.687  1.00 34.24           C  
-ATOM  31007  OD1 ASP S 153      84.227 189.789  53.725  1.00 36.05           O  
-ATOM  31008  OD2 ASP S 153      82.127 190.198  54.133  1.00 37.14           O  
-ATOM  31009  N   PRO S 154      86.439 193.226  52.730  1.00 35.70           N  
-ATOM  31010  CA  PRO S 154      87.240 193.993  51.774  1.00 37.85           C  
-ATOM  31011  C   PRO S 154      86.740 193.562  50.419  1.00 40.31           C  
-ATOM  31012  O   PRO S 154      87.352 192.649  49.854  1.00 40.55           O  
-ATOM  31013  CB  PRO S 154      88.653 193.437  51.982  1.00 37.76           C  
-ATOM  31014  CG  PRO S 154      88.521 192.394  53.074  1.00 36.37           C  
-ATOM  31015  CD  PRO S 154      87.097 191.954  53.079  1.00 35.92           C  
-ATOM  31016  N   THR S 155      85.657 194.172  49.923  1.00 42.77           N  
-ATOM  31017  CA  THR S 155      84.925 193.602  48.771  1.00 45.72           C  
-ATOM  31018  C   THR S 155      85.470 193.952  47.374  1.00 46.90           C  
-ATOM  31019  O   THR S 155      86.360 194.802  47.224  1.00 46.77           O  
-ATOM  31020  CB  THR S 155      83.344 193.766  48.881  1.00 45.88           C  
-ATOM  31021  OG1 THR S 155      82.876 193.158  50.099  1.00 47.15           O  
-ATOM  31022  CG2 THR S 155      82.580 192.951  47.788  1.00 46.57           C  
-ATOM  31023  N   THR S 156      84.883 193.265  46.389  1.00 48.73           N  
-ATOM  31024  CA  THR S 156      85.356 193.107  45.016  1.00 50.48           C  
-ATOM  31025  C   THR S 156      85.919 194.348  44.330  1.00 51.29           C  
-ATOM  31026  O   THR S 156      85.202 195.328  44.096  1.00 51.32           O  
-ATOM  31027  CB  THR S 156      84.223 192.471  44.162  1.00 50.78           C  
-ATOM  31028  OG1 THR S 156      84.585 192.479  42.772  1.00 51.07           O  
-ATOM  31029  CG2 THR S 156      82.924 193.315  44.237  1.00 51.27           C  
-ATOM  31030  N   GLU S 157      87.215 194.288  44.020  1.00 52.23           N  
-ATOM  31031  CA  GLU S 157      87.868 195.305  43.196  1.00 52.85           C  
-ATOM  31032  C   GLU S 157      89.192 194.822  42.598  1.00 53.14           C  
-ATOM  31033  O   GLU S 157      89.957 194.084  43.240  1.00 53.12           O  
-ATOM  31034  CB  GLU S 157      88.068 196.606  43.981  1.00 53.23           C  
-ATOM  31035  CG  GLU S 157      87.370 197.817  43.357  1.00 53.61           C  
-ATOM  31036  CD  GLU S 157      87.066 198.924  44.355  1.00 54.55           C  
-ATOM  31037  OE1 GLU S 157      87.924 199.209  45.216  1.00 55.16           O  
-ATOM  31038  OE2 GLU S 157      85.966 199.520  44.276  1.00 54.73           O  
-ATOM  31039  N   ASN S 158      89.434 195.227  41.350  1.00 53.16           N  
-ATOM  31040  CA  ASN S 158      90.740 195.073  40.720  1.00 53.27           C  
-ATOM  31041  C   ASN S 158      91.638 196.239  41.202  1.00 53.10           C  
-ATOM  31042  O   ASN S 158      92.584 196.650  40.516  1.00 53.10           O  
-ATOM  31043  CB  ASN S 158      90.598 195.033  39.179  1.00 53.57           C  
-ATOM  31044  CG  ASN S 158      90.379 193.603  38.616  1.00 54.07           C  
-ATOM  31045  OD1 ASN S 158      89.407 192.921  38.958  1.00 54.79           O  
-ATOM  31046  ND2 ASN S 158      91.276 193.169  37.726  1.00 53.63           N  
-ATOM  31047  N   SER S 159      91.323 196.740  42.405  1.00 52.52           N  
-ATOM  31048  CA  SER S 159      91.922 197.932  43.023  1.00 51.82           C  
-ATOM  31049  C   SER S 159      93.441 198.109  42.907  1.00 51.31           C  
-ATOM  31050  O   SER S 159      94.212 197.397  43.557  1.00 51.05           O  
-ATOM  31051  CB  SER S 159      91.528 197.983  44.500  1.00 52.20           C  
-ATOM  31052  OG  SER S 159      91.042 199.268  44.869  1.00 52.50           O  
-ATOM  31053  N   ASP S 160      93.854 199.075  42.084  1.00 50.68           N  
-ATOM  31054  CA  ASP S 160      95.262 199.472  41.964  1.00 50.13           C  
-ATOM  31055  C   ASP S 160      95.781 200.033  43.306  1.00 49.21           C  
-ATOM  31056  O   ASP S 160      95.023 200.702  44.037  1.00 48.99           O  
-ATOM  31057  CB  ASP S 160      95.432 200.476  40.810  1.00 50.65           C  
-ATOM  31058  CG  ASP S 160      96.894 200.663  40.381  1.00 51.79           C  
-ATOM  31059  OD1 ASP S 160      97.507 199.698  39.862  1.00 52.75           O  
-ATOM  31060  OD2 ASP S 160      97.506 201.750  40.509  1.00 52.95           O  
-ATOM  31061  N   ASP S 161      97.059 199.753  43.606  1.00 47.68           N  
-ATOM  31062  CA  ASP S 161      97.656 199.858  44.962  1.00 46.53           C  
-ATOM  31063  C   ASP S 161      97.710 201.274  45.581  1.00 45.09           C  
-ATOM  31064  O   ASP S 161      96.796 201.724  46.292  1.00 44.77           O  
-ATOM  31065  CB  ASP S 161      99.090 199.284  44.931  1.00 47.09           C  
-ATOM  31066  CG  ASP S 161      99.204 197.883  45.555  1.00 47.79           C  
-ATOM  31067  OD1 ASP S 161      98.550 197.616  46.591  1.00 47.38           O  
-ATOM  31068  OD2 ASP S 161      99.945 196.991  45.071  1.00 48.91           O  
-ATOM  31069  N   SER S 162      98.831 201.939  45.325  1.00 43.28           N  
-ATOM  31070  CA  SER S 162      99.009 203.359  45.588  1.00 41.17           C  
-ATOM  31071  C   SER S 162      98.467 204.155  44.398  1.00 39.64           C  
-ATOM  31072  O   SER S 162      99.114 205.099  43.929  1.00 39.63           O  
-ATOM  31073  CB  SER S 162     100.516 203.643  45.759  1.00 41.79           C  
-ATOM  31074  OG  SER S 162     101.228 203.600  44.521  1.00 39.18           O  
-ATOM  31075  N   GLU S 163      97.310 203.744  43.880  1.00 37.40           N  
-ATOM  31076  CA  GLU S 163      96.776 204.302  42.634  1.00 34.94           C  
-ATOM  31077  C   GLU S 163      96.562 205.808  42.784  1.00 32.82           C  
-ATOM  31078  O   GLU S 163      96.886 206.562  41.872  1.00 32.72           O  
-ATOM  31079  CB  GLU S 163      95.451 203.619  42.285  1.00 35.31           C  
-ATOM  31080  CG  GLU S 163      94.757 204.105  41.013  1.00 36.02           C  
-ATOM  31081  CD  GLU S 163      93.411 203.419  40.768  1.00 36.39           C  
-ATOM  31082  OE1 GLU S 163      92.727 203.040  41.751  1.00 38.03           O  
-ATOM  31083  OE2 GLU S 163      93.034 203.253  39.586  1.00 36.90           O  
-ATOM  31084  N   TYR S 164      96.031 206.209  43.948  1.00 29.62           N  
-ATOM  31085  CA  TYR S 164      95.693 207.592  44.287  1.00 27.08           C  
-ATOM  31086  C   TYR S 164      96.724 208.242  45.223  1.00 24.95           C  
-ATOM  31087  O   TYR S 164      96.542 209.337  45.729  1.00 24.69           O  
-ATOM  31088  CB  TYR S 164      94.257 207.655  44.857  1.00 26.64           C  
-ATOM  31089  CG  TYR S 164      93.253 207.201  43.824  1.00 29.12           C  
-ATOM  31090  CD1 TYR S 164      93.288 207.736  42.526  1.00 29.74           C  
-ATOM  31091  CD2 TYR S 164      92.342 206.173  44.088  1.00 31.03           C  
-ATOM  31092  CE1 TYR S 164      92.421 207.308  41.542  1.00 31.56           C  
-ATOM  31093  CE2 TYR S 164      91.460 205.719  43.085  1.00 30.56           C  
-ATOM  31094  CZ  TYR S 164      91.506 206.309  41.821  1.00 31.86           C  
-ATOM  31095  OH  TYR S 164      90.657 205.909  40.806  1.00 32.83           O  
-ATOM  31096  N   PHE S 165      97.830 207.560  45.433  1.00 22.03           N  
-ATOM  31097  CA  PHE S 165      98.809 208.019  46.395  1.00 20.15           C  
-ATOM  31098  C   PHE S 165      99.623 209.166  45.830  1.00 19.05           C  
-ATOM  31099  O   PHE S 165     100.009 209.126  44.688  1.00 18.55           O  
-ATOM  31100  CB  PHE S 165      99.714 206.865  46.791  1.00 19.53           C  
-ATOM  31101  CG  PHE S 165     100.581 207.161  47.968  1.00 18.65           C  
-ATOM  31102  CD1 PHE S 165     100.045 207.192  49.256  1.00 17.52           C  
-ATOM  31103  CD2 PHE S 165     101.950 207.401  47.793  1.00 17.47           C  
-ATOM  31104  CE1 PHE S 165     100.843 207.468  50.359  1.00 18.04           C  
-ATOM  31105  CE2 PHE S 165     102.769 207.665  48.873  1.00 17.40           C  
-ATOM  31106  CZ  PHE S 165     102.209 207.708  50.179  1.00 17.44           C  
-ATOM  31107  N   SER S 166      99.869 210.187  46.639  1.00 18.23           N  
-ATOM  31108  CA  SER S 166     100.602 211.370  46.168  1.00 17.55           C  
-ATOM  31109  C   SER S 166     101.999 211.027  45.651  1.00 17.12           C  
-ATOM  31110  O   SER S 166     102.772 210.327  46.315  1.00 15.96           O  
-ATOM  31111  CB  SER S 166     100.724 212.410  47.272  1.00 17.35           C  
-ATOM  31112  OG  SER S 166     101.503 213.498  46.813  1.00 16.89           O  
-ATOM  31113  N   GLN S 167     102.315 211.527  44.459  1.00 17.07           N  
-ATOM  31114  CA  GLN S 167     103.667 211.437  43.912  1.00 17.79           C  
-ATOM  31115  C   GLN S 167     104.668 212.320  44.658  1.00 17.36           C  
-ATOM  31116  O   GLN S 167     105.856 212.191  44.438  1.00 17.19           O  
-ATOM  31117  CB  GLN S 167     103.679 211.781  42.402  1.00 18.12           C  
-ATOM  31118  CG  GLN S 167     103.387 213.250  42.108  1.00 19.58           C  
-ATOM  31119  CD  GLN S 167     103.214 213.560  40.630  1.00 22.58           C  
-ATOM  31120  OE1 GLN S 167     104.202 213.587  39.873  1.00 22.67           O  
-ATOM  31121  NE2 GLN S 167     101.968 213.832  40.214  1.00 22.06           N  
-ATOM  31122  N   TYR S 168     104.183 213.201  45.527  1.00 17.51           N  
-ATOM  31123  CA  TYR S 168     105.023 214.203  46.191  1.00 17.36           C  
-ATOM  31124  C   TYR S 168     105.396 213.779  47.598  1.00 17.05           C  
-ATOM  31125  O   TYR S 168     106.291 214.370  48.204  1.00 17.03           O  
-ATOM  31126  CB  TYR S 168     104.341 215.571  46.176  1.00 17.52           C  
-ATOM  31127  CG  TYR S 168     104.111 216.049  44.765  1.00 17.32           C  
-ATOM  31128  CD1 TYR S 168     105.179 216.172  43.879  1.00 17.12           C  
-ATOM  31129  CD2 TYR S 168     102.837 216.348  44.309  1.00 17.24           C  
-ATOM  31130  CE1 TYR S 168     104.993 216.579  42.571  1.00 17.84           C  
-ATOM  31131  CE2 TYR S 168     102.629 216.781  42.987  1.00 16.70           C  
-ATOM  31132  CZ  TYR S 168     103.714 216.883  42.124  1.00 17.86           C  
-ATOM  31133  OH  TYR S 168     103.543 217.312  40.802  1.00 19.15           O  
-ATOM  31134  N   SER S 169     104.718 212.745  48.093  1.00 16.12           N  
-ATOM  31135  CA  SER S 169     105.080 212.132  49.353  1.00 16.05           C  
-ATOM  31136  C   SER S 169     106.564 211.762  49.434  1.00 16.25           C  
-ATOM  31137  O   SER S 169     107.231 211.484  48.427  1.00 15.77           O  
-ATOM  31138  CB  SER S 169     104.245 210.879  49.601  1.00 15.79           C  
-ATOM  31139  OG  SER S 169     104.538 210.330  50.872  1.00 15.80           O  
-ATOM  31140  N   ARG S 170     107.079 211.753  50.655  1.00 16.70           N  
-ATOM  31141  CA  ARG S 170     108.439 211.309  50.933  1.00 16.87           C  
-ATOM  31142  C   ARG S 170     108.533 209.782  50.871  1.00 16.21           C  
-ATOM  31143  O   ARG S 170     109.626 209.207  50.878  1.00 15.29           O  
-ATOM  31144  CB  ARG S 170     108.789 211.714  52.359  1.00 17.47           C  
-ATOM  31145  CG  ARG S 170     109.759 212.845  52.464  1.00 20.38           C  
-ATOM  31146  CD  ARG S 170     110.077 213.185  53.917  1.00 23.86           C  
-ATOM  31147  NE  ARG S 170     108.855 213.208  54.736  1.00 26.44           N  
-ATOM  31148  CZ  ARG S 170     108.858 213.180  56.071  1.00 27.49           C  
-ATOM  31149  NH1 ARG S 170     110.031 213.144  56.715  1.00 25.16           N  
-ATOM  31150  NH2 ARG S 170     107.704 213.204  56.751  1.00 24.91           N  
-ATOM  31151  N   PHE S 171     107.371 209.142  50.843  1.00 15.64           N  
-ATOM  31152  CA  PHE S 171     107.253 207.693  50.895  1.00 15.00           C  
-ATOM  31153  C   PHE S 171     106.686 207.166  49.596  1.00 14.72           C  
-ATOM  31154  O   PHE S 171     106.204 207.927  48.744  1.00 12.96           O  
-ATOM  31155  CB  PHE S 171     106.358 207.308  52.096  1.00 14.36           C  
-ATOM  31156  CG  PHE S 171     106.826 207.919  53.359  1.00 13.76           C  
-ATOM  31157  CD1 PHE S 171     106.356 209.160  53.753  1.00 14.85           C  
-ATOM  31158  CD2 PHE S 171     107.820 207.301  54.111  1.00 14.07           C  
-ATOM  31159  CE1 PHE S 171     106.825 209.766  54.909  1.00 13.19           C  
-ATOM  31160  CE2 PHE S 171     108.302 207.887  55.276  1.00 13.28           C  
-ATOM  31161  CZ  PHE S 171     107.801 209.127  55.677  1.00 14.68           C  
-ATOM  31162  N   GLU S 172     106.789 205.859  49.449  1.00 15.75           N  
-ATOM  31163  CA  GLU S 172     106.140 205.152  48.376  1.00 16.80           C  
-ATOM  31164  C   GLU S 172     105.505 203.885  48.921  1.00 17.18           C  
-ATOM  31165  O   GLU S 172     105.972 203.319  49.907  1.00 17.05           O  
-ATOM  31166  CB  GLU S 172     107.141 204.822  47.284  1.00 17.27           C  
-ATOM  31167  CG  GLU S 172     108.352 204.021  47.722  1.00 18.77           C  
-ATOM  31168  CD  GLU S 172     109.353 203.816  46.582  1.00 22.72           C  
-ATOM  31169  OE1 GLU S 172     108.952 204.009  45.404  1.00 25.09           O  
-ATOM  31170  OE2 GLU S 172     110.550 203.478  46.845  1.00 22.67           O  
-ATOM  31171  N   ILE S 173     104.425 203.460  48.283  1.00 17.53           N  
-ATOM  31172  CA  ILE S 173     103.704 202.290  48.730  1.00 18.18           C  
-ATOM  31173  C   ILE S 173     104.173 201.108  47.892  1.00 18.49           C  
-ATOM  31174  O   ILE S 173     104.170 201.158  46.674  1.00 18.18           O  
-ATOM  31175  CB  ILE S 173     102.198 202.503  48.606  1.00 18.37           C  
-ATOM  31176  CG1 ILE S 173     101.724 203.564  49.607  1.00 18.70           C  
-ATOM  31177  CG2 ILE S 173     101.441 201.164  48.785  1.00 18.51           C  
-ATOM  31178  CD1 ILE S 173     100.257 203.823  49.526  1.00 20.48           C  
-ATOM  31179  N   LEU S 174     104.594 200.055  48.577  1.00 18.87           N  
-ATOM  31180  CA  LEU S 174     105.002 198.825  47.926  1.00 19.48           C  
-ATOM  31181  C   LEU S 174     103.827 197.871  47.686  1.00 19.81           C  
-ATOM  31182  O   LEU S 174     103.726 197.262  46.624  1.00 19.62           O  
-ATOM  31183  CB  LEU S 174     106.114 198.147  48.728  1.00 19.15           C  
-ATOM  31184  CG  LEU S 174     107.351 199.019  49.010  1.00 19.41           C  
-ATOM  31185  CD1 LEU S 174     108.299 198.348  49.984  1.00 19.52           C  
-ATOM  31186  CD2 LEU S 174     108.089 199.382  47.748  1.00 19.03           C  
-ATOM  31187  N   ASP S 175     102.947 197.772  48.673  1.00 20.19           N  
-ATOM  31188  CA  ASP S 175     101.829 196.848  48.643  1.00 21.18           C  
-ATOM  31189  C   ASP S 175     100.755 197.209  49.674  1.00 21.00           C  
-ATOM  31190  O   ASP S 175     101.056 197.720  50.754  1.00 20.70           O  
-ATOM  31191  CB  ASP S 175     102.324 195.419  48.901  1.00 21.71           C  
-ATOM  31192  CG  ASP S 175     101.547 194.369  48.098  1.00 24.34           C  
-ATOM  31193  OD1 ASP S 175     100.455 194.678  47.569  1.00 26.24           O  
-ATOM  31194  OD2 ASP S 175     101.963 193.199  47.929  1.00 27.81           O  
-ATOM  31195  N   VAL S 176      99.507 196.928  49.329  1.00 21.33           N  
-ATOM  31196  CA  VAL S 176      98.401 196.986  50.271  1.00 22.01           C  
-ATOM  31197  C   VAL S 176      97.667 195.648  50.200  1.00 22.78           C  
-ATOM  31198  O   VAL S 176      97.236 195.240  49.120  1.00 22.82           O  
-ATOM  31199  CB  VAL S 176      97.428 198.137  49.948  1.00 21.73           C  
-ATOM  31200  CG1 VAL S 176      96.380 198.248  50.996  1.00 21.25           C  
-ATOM  31201  CG2 VAL S 176      98.167 199.449  49.815  1.00 21.10           C  
-ATOM  31202  N   THR S 177      97.560 194.960  51.338  1.00 23.37           N  
-ATOM  31203  CA  THR S 177      96.736 193.754  51.438  1.00 24.07           C  
-ATOM  31204  C   THR S 177      95.696 193.924  52.534  1.00 24.10           C  
-ATOM  31205  O   THR S 177      95.905 194.635  53.520  1.00 23.43           O  
-ATOM  31206  CB  THR S 177      97.559 192.472  51.679  1.00 24.11           C  
-ATOM  31207  OG1 THR S 177      98.389 192.641  52.835  1.00 25.33           O  
-ATOM  31208  CG2 THR S 177      98.553 192.196  50.517  1.00 24.84           C  
-ATOM  31209  N   GLN S 178      94.578 193.246  52.340  1.00 25.16           N  
-ATOM  31210  CA  GLN S 178      93.414 193.371  53.191  1.00 26.04           C  
-ATOM  31211  C   GLN S 178      92.974 191.978  53.680  1.00 26.14           C  
-ATOM  31212  O   GLN S 178      93.054 190.988  52.951  1.00 27.14           O  
-ATOM  31213  CB  GLN S 178      92.342 194.198  52.447  1.00 25.94           C  
-ATOM  31214  CG  GLN S 178      92.576 195.759  52.689  1.00 29.50           C  
-ATOM  31215  CD  GLN S 178      92.018 196.742  51.613  1.00 33.63           C  
-ATOM  31216  OE1 GLN S 178      91.559 197.879  51.950  1.00 32.08           O  
-ATOM  31217  NE2 GLN S 178      92.095 196.338  50.329  1.00 32.64           N  
-ATOM  31218  N   LYS S 179      92.563 191.882  54.937  1.00 26.23           N  
-ATOM  31219  CA  LYS S 179      92.356 190.582  55.562  1.00 25.70           C  
-ATOM  31220  C   LYS S 179      91.276 190.701  56.645  1.00 25.54           C  
-ATOM  31221  O   LYS S 179      91.325 191.603  57.455  1.00 26.06           O  
-ATOM  31222  CB  LYS S 179      93.696 190.059  56.094  1.00 25.55           C  
-ATOM  31223  CG  LYS S 179      93.649 189.311  57.411  1.00 25.05           C  
-ATOM  31224  CD  LYS S 179      94.174 187.874  57.274  1.00 24.14           C  
-ATOM  31225  CE  LYS S 179      93.717 187.020  58.464  1.00 19.96           C  
-ATOM  31226  NZ  LYS S 179      94.726 187.044  59.557  1.00 21.59           N  
-ATOM  31227  N   LYS S 180      90.289 189.800  56.629  1.00 25.19           N  
-ATOM  31228  CA  LYS S 180      89.142 189.892  57.529  1.00 23.56           C  
-ATOM  31229  C   LYS S 180      89.336 188.952  58.695  1.00 22.72           C  
-ATOM  31230  O   LYS S 180      90.085 188.007  58.594  1.00 22.69           O  
-ATOM  31231  CB  LYS S 180      87.819 189.666  56.787  1.00 23.26           C  
-ATOM  31232  CG  LYS S 180      87.387 188.222  56.649  1.00 22.95           C  
-ATOM  31233  CD  LYS S 180      86.059 187.903  57.353  1.00 23.02           C  
-ATOM  31234  CE  LYS S 180      85.027 189.057  57.340  1.00 20.83           C  
-ATOM  31235  NZ  LYS S 180      83.667 188.583  56.877  1.00 16.94           N  
-ATOM  31236  N   ASN S 181      88.712 189.267  59.822  1.00 22.25           N  
-ATOM  31237  CA  ASN S 181      88.856 188.504  61.075  1.00 22.02           C  
-ATOM  31238  C   ASN S 181      87.581 188.610  61.855  1.00 21.15           C  
-ATOM  31239  O   ASN S 181      86.825 189.573  61.707  1.00 21.25           O  
-ATOM  31240  CB  ASN S 181      89.952 189.057  61.992  1.00 21.81           C  
-ATOM  31241  CG  ASN S 181      91.310 189.052  61.350  1.00 23.58           C  
-ATOM  31242  OD1 ASN S 181      91.895 187.984  61.127  1.00 21.70           O  
-ATOM  31243  ND2 ASN S 181      91.830 190.248  61.041  1.00 21.98           N  
-ATOM  31244  N   SER S 182      87.397 187.632  62.725  1.00 20.57           N  
-ATOM  31245  CA  SER S 182      86.234 187.505  63.571  1.00 20.18           C  
-ATOM  31246  C   SER S 182      86.740 187.288  64.989  1.00 20.01           C  
-ATOM  31247  O   SER S 182      87.194 186.175  65.317  1.00 19.22           O  
-ATOM  31248  CB  SER S 182      85.412 186.312  63.119  1.00 19.51           C  
-ATOM  31249  OG  SER S 182      84.072 186.495  63.510  1.00 20.71           O  
-ATOM  31250  N   VAL S 183      86.670 188.334  65.821  1.00 18.43           N  
-ATOM  31251  CA  VAL S 183      87.323 188.305  67.141  1.00 18.38           C  
-ATOM  31252  C   VAL S 183      86.326 188.374  68.296  1.00 18.02           C  
-ATOM  31253  O   VAL S 183      85.362 189.131  68.248  1.00 17.47           O  
-ATOM  31254  CB  VAL S 183      88.416 189.446  67.320  1.00 18.58           C  
-ATOM  31255  CG1 VAL S 183      89.326 189.168  68.561  1.00 17.96           C  
-ATOM  31256  CG2 VAL S 183      89.282 189.585  66.074  1.00 16.61           C  
-ATOM  31257  N   THR S 184      86.576 187.563  69.323  1.00 18.47           N  
-ATOM  31258  CA  THR S 184      85.741 187.523  70.519  1.00 18.37           C  
-ATOM  31259  C   THR S 184      86.465 188.250  71.658  1.00 18.67           C  
-ATOM  31260  O   THR S 184      87.533 187.800  72.097  1.00 17.79           O  
-ATOM  31261  CB  THR S 184      85.391 186.068  70.921  1.00 18.39           C  
-ATOM  31262  OG1 THR S 184      84.437 185.506  70.002  1.00 16.78           O  
-ATOM  31263  CG2 THR S 184      84.671 186.022  72.279  1.00 18.00           C  
-ATOM  31264  N   TYR S 185      85.868 189.359  72.122  1.00 18.02           N  
-ATOM  31265  CA  TYR S 185      86.426 190.150  73.226  1.00 18.38           C  
-ATOM  31266  C   TYR S 185      85.950 189.764  74.615  1.00 19.20           C  
-ATOM  31267  O   TYR S 185      84.864 189.211  74.798  1.00 18.62           O  
-ATOM  31268  CB  TYR S 185      86.174 191.634  72.991  1.00 17.92           C  
-ATOM  31269  CG  TYR S 185      86.730 192.042  71.673  1.00 15.82           C  
-ATOM  31270  CD1 TYR S 185      86.021 191.807  70.497  1.00 12.79           C  
-ATOM  31271  CD2 TYR S 185      87.998 192.593  71.580  1.00 17.47           C  
-ATOM  31272  CE1 TYR S 185      86.536 192.168  69.249  1.00 13.43           C  
-ATOM  31273  CE2 TYR S 185      88.527 192.971  70.329  1.00 17.31           C  
-ATOM  31274  CZ  TYR S 185      87.776 192.762  69.181  1.00 14.67           C  
-ATOM  31275  OH  TYR S 185      88.304 193.090  67.972  1.00 16.27           O  
-ATOM  31276  N   SER S 186      86.776 190.104  75.598  1.00 20.01           N  
-ATOM  31277  CA  SER S 186      86.499 189.792  76.996  1.00 20.66           C  
-ATOM  31278  C   SER S 186      85.217 190.421  77.552  1.00 20.68           C  
-ATOM  31279  O   SER S 186      84.581 189.841  78.410  1.00 19.65           O  
-ATOM  31280  CB  SER S 186      87.704 190.138  77.862  1.00 20.38           C  
-ATOM  31281  OG  SER S 186      88.105 188.951  78.542  1.00 23.73           O  
-ATOM  31282  N   CYS S 187      84.877 191.612  77.061  1.00 21.26           N  
-ATOM  31283  CA  CYS S 187      83.652 192.324  77.408  1.00 22.75           C  
-ATOM  31284  C   CYS S 187      82.379 191.520  77.133  1.00 22.72           C  
-ATOM  31285  O   CYS S 187      81.475 191.469  77.960  1.00 23.37           O  
-ATOM  31286  CB  CYS S 187      83.573 193.649  76.611  1.00 23.08           C  
-ATOM  31287  SG  CYS S 187      83.183 193.466  74.844  1.00 24.95           S  
-ATOM  31288  N   CYS S 188      82.337 190.888  75.962  1.00 22.68           N  
-ATOM  31289  CA  CYS S 188      81.092 190.430  75.357  1.00 21.77           C  
-ATOM  31290  C   CYS S 188      81.179 188.974  74.815  1.00 20.45           C  
-ATOM  31291  O   CYS S 188      82.252 188.503  74.430  1.00 18.75           O  
-ATOM  31292  CB  CYS S 188      80.688 191.419  74.257  1.00 22.34           C  
-ATOM  31293  SG  CYS S 188      81.148 193.173  74.578  1.00 24.85           S  
-ATOM  31294  N   PRO S 189      80.055 188.264  74.776  1.00 19.93           N  
-ATOM  31295  CA  PRO S 189      80.098 186.864  74.345  1.00 20.42           C  
-ATOM  31296  C   PRO S 189      80.191 186.699  72.812  1.00 20.10           C  
-ATOM  31297  O   PRO S 189      80.696 185.661  72.363  1.00 20.73           O  
-ATOM  31298  CB  PRO S 189      78.792 186.268  74.917  1.00 19.94           C  
-ATOM  31299  CG  PRO S 189      77.838 187.440  75.007  1.00 19.94           C  
-ATOM  31300  CD  PRO S 189      78.683 188.703  75.107  1.00 19.97           C  
-ATOM  31301  N   GLU S 190      79.701 187.670  72.042  1.00 19.41           N  
-ATOM  31302  CA  GLU S 190      79.665 187.531  70.577  1.00 19.60           C  
-ATOM  31303  C   GLU S 190      80.953 187.946  69.897  1.00 18.42           C  
-ATOM  31304  O   GLU S 190      81.758 188.659  70.473  1.00 19.86           O  
-ATOM  31305  CB  GLU S 190      78.465 188.247  69.948  1.00 19.13           C  
-ATOM  31306  CG  GLU S 190      77.143 187.520  70.083  1.00 22.10           C  
-ATOM  31307  CD  GLU S 190      77.234 186.017  69.786  1.00 26.90           C  
-ATOM  31308  OE1 GLU S 190      76.602 185.565  68.794  1.00 27.07           O  
-ATOM  31309  OE2 GLU S 190      77.921 185.281  70.547  1.00 28.54           O  
-ATOM  31310  N   ALA S 191      81.141 187.485  68.675  1.00 17.30           N  
-ATOM  31311  CA  ALA S 191      82.292 187.825  67.863  1.00 16.48           C  
-ATOM  31312  C   ALA S 191      82.053 189.080  67.061  1.00 15.85           C  
-ATOM  31313  O   ALA S 191      80.951 189.285  66.554  1.00 15.16           O  
-ATOM  31314  CB  ALA S 191      82.596 186.700  66.922  1.00 16.54           C  
-ATOM  31315  N   TYR S 192      83.102 189.881  66.899  1.00 15.72           N  
-ATOM  31316  CA  TYR S 192      83.037 191.141  66.152  1.00 16.12           C  
-ATOM  31317  C   TYR S 192      83.966 191.055  64.966  1.00 16.93           C  
-ATOM  31318  O   TYR S 192      85.119 190.613  65.113  1.00 17.20           O  
-ATOM  31319  CB  TYR S 192      83.472 192.316  67.037  1.00 15.42           C  
-ATOM  31320  CG  TYR S 192      82.478 192.588  68.122  1.00 15.80           C  
-ATOM  31321  CD1 TYR S 192      82.494 191.851  69.305  1.00 16.02           C  
-ATOM  31322  CD2 TYR S 192      81.475 193.554  67.950  1.00 15.27           C  
-ATOM  31323  CE1 TYR S 192      81.541 192.078  70.306  1.00 16.74           C  
-ATOM  31324  CE2 TYR S 192      80.529 193.797  68.947  1.00 15.97           C  
-ATOM  31325  CZ  TYR S 192      80.555 193.052  70.110  1.00 16.52           C  
-ATOM  31326  OH  TYR S 192      79.607 193.293  71.074  1.00 17.40           O  
-ATOM  31327  N   GLU S 193      83.499 191.502  63.798  1.00 17.37           N  
-ATOM  31328  CA  GLU S 193      84.311 191.367  62.594  1.00 17.99           C  
-ATOM  31329  C   GLU S 193      85.120 192.629  62.349  1.00 18.61           C  
-ATOM  31330  O   GLU S 193      84.681 193.739  62.664  1.00 17.65           O  
-ATOM  31331  CB  GLU S 193      83.451 191.034  61.376  1.00 18.11           C  
-ATOM  31332  CG  GLU S 193      82.851 189.637  61.405  1.00 18.17           C  
-ATOM  31333  CD  GLU S 193      82.130 189.274  60.104  1.00 19.94           C  
-ATOM  31334  OE1 GLU S 193      82.330 189.982  59.079  1.00 20.08           O  
-ATOM  31335  OE2 GLU S 193      81.345 188.306  60.103  1.00 21.11           O  
-ATOM  31336  N   ASP S 194      86.305 192.431  61.779  1.00 19.44           N  
-ATOM  31337  CA  ASP S 194      87.183 193.515  61.418  1.00 20.23           C  
-ATOM  31338  C   ASP S 194      87.864 193.224  60.110  1.00 19.84           C  
-ATOM  31339  O   ASP S 194      87.963 192.079  59.705  1.00 19.62           O  
-ATOM  31340  CB  ASP S 194      88.221 193.800  62.525  1.00 20.65           C  
-ATOM  31341  CG  ASP S 194      89.262 192.698  62.670  1.00 24.84           C  
-ATOM  31342  OD1 ASP S 194      90.154 192.550  61.781  1.00 27.85           O  
-ATOM  31343  OD2 ASP S 194      89.289 191.916  63.667  1.00 29.43           O  
-ATOM  31344  N   VAL S 195      88.299 194.277  59.436  1.00 19.32           N  
-ATOM  31345  CA  VAL S 195      89.223 194.138  58.347  1.00 19.89           C  
-ATOM  31346  C   VAL S 195      90.580 194.675  58.805  1.00 19.40           C  
-ATOM  31347  O   VAL S 195      90.646 195.752  59.422  1.00 19.12           O  
-ATOM  31348  CB  VAL S 195      88.731 194.840  57.060  1.00 20.03           C  
-ATOM  31349  CG1 VAL S 195      89.817 194.741  55.963  1.00 20.93           C  
-ATOM  31350  CG2 VAL S 195      87.484 194.154  56.552  1.00 20.67           C  
-ATOM  31351  N   GLU S 196      91.637 193.916  58.520  1.00 18.85           N  
-ATOM  31352  CA  GLU S 196      93.014 194.365  58.744  1.00 19.17           C  
-ATOM  31353  C   GLU S 196      93.656 194.750  57.423  1.00 18.57           C  
-ATOM  31354  O   GLU S 196      93.818 193.921  56.534  1.00 18.45           O  
-ATOM  31355  CB  GLU S 196      93.848 193.303  59.458  1.00 19.48           C  
-ATOM  31356  CG  GLU S 196      93.736 193.359  60.983  1.00 23.38           C  
-ATOM  31357  CD  GLU S 196      94.365 192.170  61.718  1.00 27.81           C  
-ATOM  31358  OE1 GLU S 196      95.006 191.320  61.061  1.00 28.36           O  
-ATOM  31359  OE2 GLU S 196      94.217 192.102  62.968  1.00 28.52           O  
-ATOM  31360  N   VAL S 197      94.014 196.023  57.301  1.00 18.10           N  
-ATOM  31361  CA  VAL S 197      94.629 196.562  56.105  1.00 17.50           C  
-ATOM  31362  C   VAL S 197      96.116 196.717  56.342  1.00 17.26           C  
-ATOM  31363  O   VAL S 197      96.550 197.467  57.208  1.00 17.25           O  
-ATOM  31364  CB  VAL S 197      93.993 197.930  55.722  1.00 18.02           C  
-ATOM  31365  CG1 VAL S 197      94.655 198.489  54.475  1.00 17.55           C  
-ATOM  31366  CG2 VAL S 197      92.474 197.787  55.514  1.00 18.12           C  
-ATOM  31367  N   SER S 198      96.912 195.975  55.585  1.00 17.43           N  
-ATOM  31368  CA  SER S 198      98.360 195.994  55.765  1.00 17.51           C  
-ATOM  31369  C   SER S 198      98.970 196.901  54.707  1.00 17.31           C  
-ATOM  31370  O   SER S 198      98.906 196.614  53.509  1.00 17.23           O  
-ATOM  31371  CB  SER S 198      98.949 194.574  55.695  1.00 17.67           C  
-ATOM  31372  OG  SER S 198      98.578 193.776  56.824  1.00 19.34           O  
-ATOM  31373  N   LEU S 199      99.549 198.001  55.162  1.00 17.01           N  
-ATOM  31374  CA  LEU S 199     100.210 198.967  54.297  1.00 16.85           C  
-ATOM  31375  C   LEU S 199     101.731 198.743  54.333  1.00 16.60           C  
-ATOM  31376  O   LEU S 199     102.376 199.035  55.334  1.00 16.43           O  
-ATOM  31377  CB  LEU S 199      99.865 200.392  54.755  1.00 17.21           C  
-ATOM  31378  CG  LEU S 199     100.565 201.593  54.093  1.00 18.35           C  
-ATOM  31379  CD1 LEU S 199     100.137 201.721  52.643  1.00 18.59           C  
-ATOM  31380  CD2 LEU S 199     100.224 202.874  54.830  1.00 18.81           C  
-ATOM  31381  N   ASN S 200     102.277 198.227  53.232  1.00 15.87           N  
-ATOM  31382  CA  ASN S 200     103.714 198.031  53.068  1.00 15.89           C  
-ATOM  31383  C   ASN S 200     104.279 199.233  52.318  1.00 15.17           C  
-ATOM  31384  O   ASN S 200     103.927 199.463  51.172  1.00 14.61           O  
-ATOM  31385  CB  ASN S 200     103.999 196.702  52.327  1.00 15.71           C  
-ATOM  31386  CG  ASN S 200     105.507 196.378  52.183  1.00 17.28           C  
-ATOM  31387  OD1 ASN S 200     105.903 195.723  51.234  1.00 17.79           O  
-ATOM  31388  ND2 ASN S 200     106.333 196.798  53.143  1.00 18.57           N  
-ATOM  31389  N   PHE S 201     105.138 200.001  52.989  1.00 14.39           N  
-ATOM  31390  CA  PHE S 201     105.615 201.278  52.458  1.00 14.09           C  
-ATOM  31391  C   PHE S 201     107.041 201.549  52.896  1.00 13.56           C  
-ATOM  31392  O   PHE S 201     107.508 200.963  53.867  1.00 13.45           O  
-ATOM  31393  CB  PHE S 201     104.696 202.437  52.892  1.00 14.14           C  
-ATOM  31394  CG  PHE S 201     104.832 202.825  54.344  1.00 15.46           C  
-ATOM  31395  CD1 PHE S 201     104.261 202.047  55.352  1.00 15.55           C  
-ATOM  31396  CD2 PHE S 201     105.522 203.988  54.709  1.00 16.18           C  
-ATOM  31397  CE1 PHE S 201     104.394 202.400  56.691  1.00 16.30           C  
-ATOM  31398  CE2 PHE S 201     105.648 204.344  56.066  1.00 16.40           C  
-ATOM  31399  CZ  PHE S 201     105.089 203.543  57.047  1.00 16.20           C  
-ATOM  31400  N   ARG S 202     107.725 202.447  52.185  1.00 13.21           N  
-ATOM  31401  CA  ARG S 202     109.082 202.828  52.553  1.00 13.47           C  
-ATOM  31402  C   ARG S 202     109.445 204.228  52.111  1.00 13.79           C  
-ATOM  31403  O   ARG S 202     108.787 204.818  51.244  1.00 13.57           O  
-ATOM  31404  CB  ARG S 202     110.106 201.824  52.004  1.00 13.39           C  
-ATOM  31405  CG  ARG S 202     110.464 202.068  50.560  1.00 14.31           C  
-ATOM  31406  CD  ARG S 202     111.346 201.003  49.909  1.00 14.91           C  
-ATOM  31407  NE  ARG S 202     111.246 201.181  48.465  1.00 17.18           N  
-ATOM  31408  CZ  ARG S 202     111.744 200.372  47.534  1.00 17.08           C  
-ATOM  31409  NH1 ARG S 202     112.424 199.274  47.854  1.00 17.20           N  
-ATOM  31410  NH2 ARG S 202     111.547 200.675  46.257  1.00 14.38           N  
-ATOM  31411  N   LYS S 203     110.498 204.750  52.727  1.00 14.55           N  
-ATOM  31412  CA  LYS S 203     111.085 206.014  52.328  1.00 16.33           C  
-ATOM  31413  C   LYS S 203     111.670 205.843  50.939  1.00 16.19           C  
-ATOM  31414  O   LYS S 203     112.397 204.878  50.693  1.00 16.22           O  
-ATOM  31415  CB  LYS S 203     112.186 206.415  53.317  1.00 17.21           C  
-ATOM  31416  CG  LYS S 203     111.822 207.591  54.225  1.00 19.99           C  
-ATOM  31417  CD  LYS S 203     111.841 207.155  55.694  1.00 23.00           C  
-ATOM  31418  CE  LYS S 203     112.397 208.247  56.601  1.00 25.90           C  
-ATOM  31419  NZ  LYS S 203     113.777 207.928  57.098  1.00 24.32           N  
-ATOM  31420  N   LYS S 204     111.324 206.753  50.029  1.00 16.90           N  
-ATOM  31421  CA  LYS S 204     111.973 206.845  48.719  1.00 17.42           C  
-ATOM  31422  C   LYS S 204     113.456 207.029  48.969  1.00 18.67           C  
-ATOM  31423  O   LYS S 204     113.843 207.898  49.756  1.00 18.62           O  
-ATOM  31424  CB  LYS S 204     111.463 208.046  47.929  1.00 17.50           C  
-ATOM  31425  CG  LYS S 204     110.223 207.789  47.119  1.00 17.01           C  
-ATOM  31426  CD  LYS S 204     109.682 209.079  46.552  1.00 15.53           C  
-ATOM  31427  CE  LYS S 204     108.358 208.825  45.889  1.00 15.58           C  
-ATOM  31428  NZ  LYS S 204     107.521 210.052  45.735  1.00 15.54           N  
-ATOM  31429  N   GLY S 205     114.278 206.203  48.311  1.00 19.83           N  
-ATOM  31430  CA  GLY S 205     115.701 206.120  48.604  1.00 20.58           C  
-ATOM  31431  C   GLY S 205     116.512 206.816  47.540  1.00 21.66           C  
-ATOM  31432  O   GLY S 205     115.920 207.450  46.671  1.00 22.52           O  
-TER   31433      GLY S 205                                                      
-ATOM  31434  N   GLU T   0      55.875 191.460  69.773  1.00 21.33           N  
-ATOM  31435  CA  GLU T   0      56.929 191.641  68.692  1.00 23.06           C  
-ATOM  31436  C   GLU T   0      57.283 193.092  68.324  1.00 22.72           C  
-ATOM  31437  O   GLU T   0      56.508 193.792  67.670  1.00 23.20           O  
-ATOM  31438  CB  GLU T   0      56.586 190.866  67.401  1.00 23.07           C  
-ATOM  31439  CG  GLU T   0      57.708 190.870  66.349  1.00 24.75           C  
-ATOM  31440  CD  GLU T   0      57.504 189.848  65.212  1.00 29.61           C  
-ATOM  31441  OE1 GLU T   0      56.367 189.322  65.054  1.00 30.52           O  
-ATOM  31442  OE2 GLU T   0      58.482 189.564  64.462  1.00 29.46           O  
-ATOM  31443  N   PHE T   1      58.476 193.509  68.723  1.00 22.85           N  
-ATOM  31444  CA  PHE T   1      59.038 194.802  68.348  1.00 22.56           C  
-ATOM  31445  C   PHE T   1      60.187 194.532  67.390  1.00 21.98           C  
-ATOM  31446  O   PHE T   1      60.910 193.539  67.555  1.00 22.11           O  
-ATOM  31447  CB  PHE T   1      59.626 195.533  69.568  1.00 22.41           C  
-ATOM  31448  CG  PHE T   1      58.684 195.667  70.719  1.00 24.54           C  
-ATOM  31449  CD1 PHE T   1      57.589 196.542  70.657  1.00 26.06           C  
-ATOM  31450  CD2 PHE T   1      58.903 194.941  71.889  1.00 25.72           C  
-ATOM  31451  CE1 PHE T   1      56.719 196.670  71.730  1.00 27.90           C  
-ATOM  31452  CE2 PHE T   1      58.037 195.054  72.974  1.00 26.72           C  
-ATOM  31453  CZ  PHE T   1      56.941 195.917  72.903  1.00 28.22           C  
-ATOM  31454  N   ASP T   2      60.393 195.411  66.410  1.00 20.85           N  
-ATOM  31455  CA  ASP T   2      61.651 195.354  65.686  1.00 20.21           C  
-ATOM  31456  C   ASP T   2      62.630 196.384  66.234  1.00 19.33           C  
-ATOM  31457  O   ASP T   2      62.284 197.138  67.137  1.00 18.66           O  
-ATOM  31458  CB  ASP T   2      61.454 195.498  64.164  1.00 20.92           C  
-ATOM  31459  CG  ASP T   2      60.826 196.845  63.750  1.00 22.00           C  
-ATOM  31460  OD1 ASP T   2      60.809 197.807  64.552  1.00 22.78           O  
-ATOM  31461  OD2 ASP T   2      60.322 197.023  62.620  1.00 23.89           O  
-ATOM  31462  N   ARG T   3      63.844 196.420  65.678  1.00 18.54           N  
-ATOM  31463  CA  ARG T   3      64.865 197.369  66.154  1.00 17.94           C  
-ATOM  31464  C   ARG T   3      64.384 198.807  66.095  1.00 17.20           C  
-ATOM  31465  O   ARG T   3      64.586 199.568  67.043  1.00 17.39           O  
-ATOM  31466  CB  ARG T   3      66.158 197.235  65.389  1.00 17.91           C  
-ATOM  31467  CG  ARG T   3      67.068 196.173  65.942  1.00 18.86           C  
-ATOM  31468  CD  ARG T   3      68.104 195.661  64.936  1.00 19.08           C  
-ATOM  31469  NE  ARG T   3      68.899 194.617  65.547  1.00 21.93           N  
-ATOM  31470  CZ  ARG T   3      68.745 193.318  65.308  1.00 25.69           C  
-ATOM  31471  NH1 ARG T   3      67.815 192.889  64.451  1.00 27.04           N  
-ATOM  31472  NH2 ARG T   3      69.532 192.447  65.928  1.00 26.09           N  
-ATOM  31473  N   ALA T   4      63.726 199.170  64.998  1.00 16.12           N  
-ATOM  31474  CA  ALA T   4      63.152 200.502  64.858  1.00 15.88           C  
-ATOM  31475  C   ALA T   4      62.202 200.886  66.000  1.00 15.86           C  
-ATOM  31476  O   ALA T   4      62.322 201.977  66.539  1.00 15.31           O  
-ATOM  31477  CB  ALA T   4      62.467 200.635  63.518  1.00 15.47           C  
-ATOM  31478  N   ASP T   5      61.275 199.990  66.348  1.00 15.70           N  
-ATOM  31479  CA  ASP T   5      60.371 200.182  67.482  1.00 16.56           C  
-ATOM  31480  C   ASP T   5      61.116 200.325  68.793  1.00 15.79           C  
-ATOM  31481  O   ASP T   5      60.814 201.260  69.571  1.00 15.86           O  
-ATOM  31482  CB  ASP T   5      59.386 199.022  67.608  1.00 17.28           C  
-ATOM  31483  CG  ASP T   5      58.498 198.873  66.388  1.00 21.17           C  
-ATOM  31484  OD1 ASP T   5      58.195 199.925  65.741  1.00 24.37           O  
-ATOM  31485  OD2 ASP T   5      58.040 197.753  66.002  1.00 25.22           O  
-ATOM  31486  N   ILE T   6      62.089 199.439  69.042  1.00 15.13           N  
-ATOM  31487  CA  ILE T   6      62.828 199.482  70.317  1.00 14.65           C  
-ATOM  31488  C   ILE T   6      63.518 200.836  70.483  1.00 14.57           C  
-ATOM  31489  O   ILE T   6      63.448 201.472  71.534  1.00 13.63           O  
-ATOM  31490  CB  ILE T   6      63.821 198.308  70.445  1.00 14.73           C  
-ATOM  31491  CG1 ILE T   6      63.090 196.956  70.468  1.00 14.10           C  
-ATOM  31492  CG2 ILE T   6      64.700 198.441  71.723  1.00 13.81           C  
-ATOM  31493  CD1 ILE T   6      63.966 195.771  70.057  1.00 12.62           C  
-ATOM  31494  N   LEU T   7      64.157 201.274  69.408  1.00 14.94           N  
-ATOM  31495  CA  LEU T   7      64.954 202.491  69.422  1.00 15.99           C  
-ATOM  31496  C   LEU T   7      64.083 203.750  69.454  1.00 15.73           C  
-ATOM  31497  O   LEU T   7      64.436 204.730  70.084  1.00 14.87           O  
-ATOM  31498  CB  LEU T   7      65.934 202.528  68.228  1.00 16.05           C  
-ATOM  31499  CG  LEU T   7      67.134 201.594  68.440  1.00 17.32           C  
-ATOM  31500  CD1 LEU T   7      67.759 201.181  67.136  1.00 19.22           C  
-ATOM  31501  CD2 LEU T   7      68.146 202.313  69.255  1.00 19.22           C  
-ATOM  31502  N   TYR T   8      62.953 203.697  68.770  1.00 15.95           N  
-ATOM  31503  CA  TYR T   8      61.942 204.749  68.871  1.00 16.98           C  
-ATOM  31504  C   TYR T   8      61.457 204.885  70.292  1.00 16.33           C  
-ATOM  31505  O   TYR T   8      61.463 205.981  70.827  1.00 16.16           O  
-ATOM  31506  CB  TYR T   8      60.770 204.448  67.948  1.00 17.50           C  
-ATOM  31507  CG  TYR T   8      59.628 205.458  68.000  1.00 21.13           C  
-ATOM  31508  CD1 TYR T   8      59.782 206.738  67.457  1.00 24.40           C  
-ATOM  31509  CD2 TYR T   8      58.403 205.123  68.570  1.00 22.91           C  
-ATOM  31510  CE1 TYR T   8      58.753 207.658  67.480  1.00 26.21           C  
-ATOM  31511  CE2 TYR T   8      57.371 206.027  68.602  1.00 25.62           C  
-ATOM  31512  CZ  TYR T   8      57.548 207.306  68.051  1.00 26.96           C  
-ATOM  31513  OH  TYR T   8      56.532 208.241  68.061  1.00 28.44           O  
-ATOM  31514  N   ASN T   9      61.052 203.770  70.900  1.00 16.31           N  
-ATOM  31515  CA  ASN T   9      60.547 203.798  72.259  1.00 16.58           C  
-ATOM  31516  C   ASN T   9      61.576 204.344  73.242  1.00 16.16           C  
-ATOM  31517  O   ASN T   9      61.237 205.175  74.084  1.00 15.99           O  
-ATOM  31518  CB  ASN T   9      60.016 202.433  72.665  1.00 16.73           C  
-ATOM  31519  CG  ASN T   9      58.765 202.065  71.902  1.00 18.41           C  
-ATOM  31520  OD1 ASN T   9      58.154 202.916  71.242  1.00 19.08           O  
-ATOM  31521  ND2 ASN T   9      58.386 200.799  71.959  1.00 17.57           N  
-ATOM  31522  N   ILE T  10      62.830 203.937  73.088  1.00 16.16           N  
-ATOM  31523  CA  ILE T  10      63.895 204.436  73.943  1.00 16.38           C  
-ATOM  31524  C   ILE T  10      64.099 205.954  73.745  1.00 16.94           C  
-ATOM  31525  O   ILE T  10      64.203 206.668  74.721  1.00 15.95           O  
-ATOM  31526  CB  ILE T  10      65.210 203.671  73.733  1.00 16.53           C  
-ATOM  31527  CG1 ILE T  10      65.134 202.274  74.364  1.00 15.49           C  
-ATOM  31528  CG2 ILE T  10      66.432 204.488  74.294  1.00 15.77           C  
-ATOM  31529  CD1 ILE T  10      66.258 201.342  73.876  1.00 13.83           C  
-ATOM  31530  N   ARG T  11      64.126 206.420  72.493  1.00 17.07           N  
-ATOM  31531  CA  ARG T  11      64.343 207.849  72.198  1.00 19.11           C  
-ATOM  31532  C   ARG T  11      63.229 208.728  72.797  1.00 18.97           C  
-ATOM  31533  O   ARG T  11      63.492 209.712  73.510  1.00 19.06           O  
-ATOM  31534  CB  ARG T  11      64.503 208.105  70.694  1.00 19.03           C  
-ATOM  31535  CG  ARG T  11      65.475 209.297  70.356  1.00 22.89           C  
-ATOM  31536  CD  ARG T  11      65.361 209.875  68.912  1.00 26.87           C  
-ATOM  31537  NE  ARG T  11      64.714 208.931  68.006  1.00 29.72           N  
-ATOM  31538  CZ  ARG T  11      64.164 209.243  66.845  1.00 33.60           C  
-ATOM  31539  NH1 ARG T  11      64.209 210.496  66.383  1.00 37.14           N  
-ATOM  31540  NH2 ARG T  11      63.576 208.296  66.129  1.00 32.86           N  
-ATOM  31541  N   GLN T  12      61.986 208.320  72.569  1.00 19.70           N  
-ATOM  31542  CA  GLN T  12      60.818 209.034  73.083  1.00 19.65           C  
-ATOM  31543  C   GLN T  12      60.695 209.070  74.621  1.00 20.08           C  
-ATOM  31544  O   GLN T  12      60.149 210.043  75.183  1.00 20.22           O  
-ATOM  31545  CB  GLN T  12      59.554 208.434  72.470  1.00 19.92           C  
-ATOM  31546  CG  GLN T  12      59.475 208.581  70.966  1.00 20.83           C  
-ATOM  31547  CD  GLN T  12      59.868 209.962  70.485  1.00 24.09           C  
-ATOM  31548  OE1 GLN T  12      59.263 210.953  70.876  1.00 25.60           O  
-ATOM  31549  NE2 GLN T  12      60.901 210.032  69.658  1.00 24.57           N  
-ATOM  31550  N   THR T  13      61.180 208.046  75.319  1.00 19.79           N  
-ATOM  31551  CA  THR T  13      60.871 207.952  76.760  1.00 20.18           C  
-ATOM  31552  C   THR T  13      62.073 207.974  77.710  1.00 21.92           C  
-ATOM  31553  O   THR T  13      61.918 207.836  78.951  1.00 21.31           O  
-ATOM  31554  CB  THR T  13      60.154 206.649  77.045  1.00 19.91           C  
-ATOM  31555  OG1 THR T  13      61.068 205.584  76.761  1.00 16.40           O  
-ATOM  31556  CG2 THR T  13      58.951 206.424  76.074  1.00 18.09           C  
-ATOM  31557  N   SER T  14      63.270 208.040  77.138  1.00 23.69           N  
-ATOM  31558  CA  SER T  14      64.482 207.979  77.951  1.00 25.20           C  
-ATOM  31559  C   SER T  14      64.707 209.390  78.454  1.00 24.51           C  
-ATOM  31560  O   SER T  14      64.403 210.392  77.787  1.00 25.78           O  
-ATOM  31561  CB  SER T  14      65.683 207.550  77.128  1.00 26.23           C  
-ATOM  31562  OG  SER T  14      65.846 208.496  76.053  1.00 30.80           O  
-ATOM  31563  N   ARG T  15      65.185 209.438  79.671  1.00 23.08           N  
-ATOM  31564  CA  ARG T  15      65.370 210.657  80.390  1.00 21.27           C  
-ATOM  31565  C   ARG T  15      66.870 210.685  80.650  1.00 19.90           C  
-ATOM  31566  O   ARG T  15      67.327 210.121  81.642  1.00 19.34           O  
-ATOM  31567  CB  ARG T  15      64.577 210.547  81.674  1.00 21.17           C  
-ATOM  31568  CG  ARG T  15      63.112 210.950  81.508  1.00 21.58           C  
-ATOM  31569  CD  ARG T  15      62.968 212.383  81.029  1.00 24.26           C  
-ATOM  31570  NE  ARG T  15      63.294 213.389  82.070  1.00 26.50           N  
-ATOM  31571  CZ  ARG T  15      62.542 213.623  83.157  1.00 23.76           C  
-ATOM  31572  NH1 ARG T  15      61.431 212.923  83.371  1.00 26.20           N  
-ATOM  31573  NH2 ARG T  15      62.904 214.545  84.035  1.00 24.44           N  
-ATOM  31574  N   PRO T  16      67.632 211.277  79.722  1.00 19.18           N  
-ATOM  31575  CA  PRO T  16      69.105 211.199  79.744  1.00 19.16           C  
-ATOM  31576  C   PRO T  16      69.706 211.840  80.967  1.00 18.47           C  
-ATOM  31577  O   PRO T  16      70.822 211.452  81.378  1.00 18.49           O  
-ATOM  31578  CB  PRO T  16      69.536 211.973  78.482  1.00 19.89           C  
-ATOM  31579  CG  PRO T  16      68.279 212.016  77.592  1.00 19.33           C  
-ATOM  31580  CD  PRO T  16      67.154 212.111  78.599  1.00 19.24           C  
-ATOM  31581  N   ASP T  17      68.981 212.792  81.556  1.00 18.32           N  
-ATOM  31582  CA  ASP T  17      69.465 213.522  82.725  1.00 18.56           C  
-ATOM  31583  C   ASP T  17      69.021 212.895  84.061  1.00 17.79           C  
-ATOM  31584  O   ASP T  17      69.392 213.384  85.135  1.00 16.13           O  
-ATOM  31585  CB  ASP T  17      69.048 215.009  82.584  1.00 20.00           C  
-ATOM  31586  CG  ASP T  17      69.688 215.669  81.319  1.00 24.56           C  
-ATOM  31587  OD1 ASP T  17      70.713 215.132  80.805  1.00 32.28           O  
-ATOM  31588  OD2 ASP T  17      69.264 216.699  80.750  1.00 28.83           O  
-ATOM  31589  N   VAL T  18      68.265 211.799  83.990  1.00 16.97           N  
-ATOM  31590  CA  VAL T  18      67.703 211.178  85.194  1.00 17.32           C  
-ATOM  31591  C   VAL T  18      68.442 209.906  85.629  1.00 17.57           C  
-ATOM  31592  O   VAL T  18      68.422 208.849  84.937  1.00 16.77           O  
-ATOM  31593  CB  VAL T  18      66.175 210.906  85.078  1.00 17.41           C  
-ATOM  31594  CG1 VAL T  18      65.612 210.277  86.390  1.00 17.15           C  
-ATOM  31595  CG2 VAL T  18      65.424 212.230  84.756  1.00 16.03           C  
-ATOM  31596  N   ILE T  19      69.122 210.004  86.761  1.00 17.59           N  
-ATOM  31597  CA  ILE T  19      69.872 208.854  87.254  1.00 18.39           C  
-ATOM  31598  C   ILE T  19      68.880 207.704  87.551  1.00 18.98           C  
-ATOM  31599  O   ILE T  19      67.913 207.930  88.262  1.00 18.86           O  
-ATOM  31600  CB  ILE T  19      70.766 209.238  88.466  1.00 17.81           C  
-ATOM  31601  CG1 ILE T  19      71.530 208.011  88.994  1.00 17.58           C  
-ATOM  31602  CG2 ILE T  19      69.960 209.929  89.588  1.00 17.08           C  
-ATOM  31603  CD1 ILE T  19      72.515 208.332  90.133  1.00 15.93           C  
-ATOM  31604  N   PRO T  20      69.085 206.521  86.982  1.00 19.98           N  
-ATOM  31605  CA  PRO T  20      68.102 205.423  87.097  1.00 21.38           C  
-ATOM  31606  C   PRO T  20      68.137 204.713  88.440  1.00 22.94           C  
-ATOM  31607  O   PRO T  20      68.327 203.479  88.521  1.00 23.47           O  
-ATOM  31608  CB  PRO T  20      68.530 204.449  86.001  1.00 20.88           C  
-ATOM  31609  CG  PRO T  20      69.993 204.584  85.940  1.00 20.55           C  
-ATOM  31610  CD  PRO T  20      70.246 206.097  86.175  1.00 20.59           C  
-ATOM  31611  N   THR T  21      67.952 205.492  89.480  1.00 24.75           N  
-ATOM  31612  CA  THR T  21      67.953 205.017  90.844  1.00 27.36           C  
-ATOM  31613  C   THR T  21      66.727 204.131  91.068  1.00 28.93           C  
-ATOM  31614  O   THR T  21      65.610 204.532  90.672  1.00 29.40           O  
-ATOM  31615  CB  THR T  21      67.957 206.272  91.764  1.00 27.17           C  
-ATOM  31616  OG1 THR T  21      69.247 206.393  92.388  1.00 28.80           O  
-ATOM  31617  CG2 THR T  21      67.014 206.125  92.902  1.00 28.72           C  
-ATOM  31618  N   GLN T  22      66.957 202.919  91.628  1.00 30.42           N  
-ATOM  31619  CA  GLN T  22      65.889 201.978  92.060  1.00 32.09           C  
-ATOM  31620  C   GLN T  22      65.805 201.801  93.571  1.00 31.97           C  
-ATOM  31621  O   GLN T  22      66.795 201.454  94.226  1.00 31.98           O  
-ATOM  31622  CB  GLN T  22      65.959 200.547  91.424  1.00 33.11           C  
-ATOM  31623  CG  GLN T  22      67.319 200.012  90.870  1.00 35.39           C  
-ATOM  31624  CD  GLN T  22      67.163 198.764  89.955  1.00 38.81           C  
-ATOM  31625  OE1 GLN T  22      66.940 198.896  88.739  1.00 41.43           O  
-ATOM  31626  NE2 GLN T  22      67.281 197.568  90.540  1.00 38.64           N  
-ATOM  31627  N   ARG T  23      64.609 202.025  94.102  1.00 31.72           N  
-ATOM  31628  CA  ARG T  23      64.312 201.774  95.504  1.00 31.76           C  
-ATOM  31629  C   ARG T  23      65.222 202.541  96.459  1.00 30.97           C  
-ATOM  31630  O   ARG T  23      65.613 201.986  97.486  1.00 31.12           O  
-ATOM  31631  CB  ARG T  23      64.419 200.264  95.810  1.00 32.37           C  
-ATOM  31632  CG  ARG T  23      63.207 199.427  95.430  1.00 35.11           C  
-ATOM  31633  CD  ARG T  23      63.075 198.093  96.223  1.00 41.16           C  
-ATOM  31634  NE  ARG T  23      63.506 196.935  95.429  1.00 43.90           N  
-ATOM  31635  CZ  ARG T  23      62.711 196.216  94.632  1.00 45.71           C  
-ATOM  31636  NH1 ARG T  23      61.409 196.503  94.529  1.00 45.57           N  
-ATOM  31637  NH2 ARG T  23      63.219 195.194  93.945  1.00 45.69           N  
-ATOM  31638  N   ASP T  24      65.565 203.794  96.133  1.00 29.98           N  
-ATOM  31639  CA  ASP T  24      66.472 204.605  96.973  1.00 29.30           C  
-ATOM  31640  C   ASP T  24      67.901 203.969  97.143  1.00 28.16           C  
-ATOM  31641  O   ASP T  24      68.676 204.368  98.022  1.00 28.04           O  
-ATOM  31642  CB  ASP T  24      65.799 204.935  98.338  1.00 29.66           C  
-ATOM  31643  CG  ASP T  24      66.609 205.947  99.206  1.00 31.73           C  
-ATOM  31644  OD1 ASP T  24      67.359 206.802  98.652  1.00 30.57           O  
-ATOM  31645  OD2 ASP T  24      66.553 205.944 100.470  1.00 32.20           O  
-ATOM  31646  N   ARG T  25      68.231 202.982  96.303  1.00 26.49           N  
-ATOM  31647  CA  ARG T  25      69.569 202.364  96.287  1.00 24.98           C  
-ATOM  31648  C   ARG T  25      70.451 203.148  95.309  1.00 23.07           C  
-ATOM  31649  O   ARG T  25      69.936 203.761  94.377  1.00 21.66           O  
-ATOM  31650  CB  ARG T  25      69.505 200.873  95.877  1.00 25.00           C  
-ATOM  31651  CG  ARG T  25      68.432 200.064  96.653  1.00 26.94           C  
-ATOM  31652  CD  ARG T  25      68.484 198.538  96.483  1.00 32.80           C  
-ATOM  31653  NE  ARG T  25      67.819 197.817  97.593  1.00 35.07           N  
-ATOM  31654  CZ  ARG T  25      67.744 196.482  97.704  1.00 37.46           C  
-ATOM  31655  NH1 ARG T  25      68.302 195.698  96.786  1.00 39.06           N  
-ATOM  31656  NH2 ARG T  25      67.119 195.922  98.742  1.00 36.84           N  
-ATOM  31657  N   PRO T  26      71.762 203.117  95.519  1.00 22.16           N  
-ATOM  31658  CA  PRO T  26      72.697 203.651  94.532  1.00 21.08           C  
-ATOM  31659  C   PRO T  26      72.679 202.848  93.233  1.00 19.99           C  
-ATOM  31660  O   PRO T  26      72.429 201.630  93.275  1.00 19.00           O  
-ATOM  31661  CB  PRO T  26      74.051 203.502  95.225  1.00 21.40           C  
-ATOM  31662  CG  PRO T  26      73.854 202.488  96.280  1.00 21.22           C  
-ATOM  31663  CD  PRO T  26      72.447 202.580  96.702  1.00 22.13           C  
-ATOM  31664  N   VAL T  27      72.909 203.532  92.113  1.00 18.34           N  
-ATOM  31665  CA  VAL T  27      73.161 202.871  90.833  1.00 17.96           C  
-ATOM  31666  C   VAL T  27      74.553 202.239  90.893  1.00 17.52           C  
-ATOM  31667  O   VAL T  27      75.530 202.939  91.091  1.00 17.24           O  
-ATOM  31668  CB  VAL T  27      73.092 203.883  89.648  1.00 17.85           C  
-ATOM  31669  CG1 VAL T  27      73.487 203.237  88.347  1.00 17.82           C  
-ATOM  31670  CG2 VAL T  27      71.696 204.437  89.516  1.00 17.55           C  
-ATOM  31671  N   ALA T  28      74.635 200.922  90.752  1.00 16.61           N  
-ATOM  31672  CA  ALA T  28      75.900 200.205  90.791  1.00 15.99           C  
-ATOM  31673  C   ALA T  28      76.530 200.281  89.416  1.00 16.22           C  
-ATOM  31674  O   ALA T  28      76.038 199.687  88.467  1.00 16.07           O  
-ATOM  31675  CB  ALA T  28      75.677 198.725  91.208  1.00 15.80           C  
-ATOM  31676  N   VAL T  29      77.664 200.957  89.333  1.00 15.86           N  
-ATOM  31677  CA  VAL T  29      78.377 201.111  88.100  1.00 16.39           C  
-ATOM  31678  C   VAL T  29      79.660 200.339  88.182  1.00 17.16           C  
-ATOM  31679  O   VAL T  29      80.387 200.449  89.147  1.00 17.37           O  
-ATOM  31680  CB  VAL T  29      78.673 202.626  87.822  1.00 16.11           C  
-ATOM  31681  CG1 VAL T  29      79.478 202.795  86.567  1.00 14.89           C  
-ATOM  31682  CG2 VAL T  29      77.366 203.408  87.769  1.00 15.37           C  
-ATOM  31683  N   SER T  30      79.949 199.555  87.157  1.00 17.95           N  
-ATOM  31684  CA  SER T  30      81.249 198.867  87.097  1.00 19.07           C  
-ATOM  31685  C   SER T  30      82.107 199.563  86.069  1.00 19.35           C  
-ATOM  31686  O   SER T  30      81.606 199.959  85.005  1.00 19.26           O  
-ATOM  31687  CB  SER T  30      81.107 197.394  86.760  1.00 18.57           C  
-ATOM  31688  OG  SER T  30      80.215 196.759  87.644  1.00 20.90           O  
-ATOM  31689  N   VAL T  31      83.375 199.748  86.413  1.00 19.75           N  
-ATOM  31690  CA  VAL T  31      84.351 200.370  85.529  1.00 21.16           C  
-ATOM  31691  C   VAL T  31      85.607 199.538  85.507  1.00 21.28           C  
-ATOM  31692  O   VAL T  31      86.059 199.079  86.545  1.00 21.07           O  
-ATOM  31693  CB  VAL T  31      84.856 201.759  85.996  1.00 21.38           C  
-ATOM  31694  CG1 VAL T  31      85.297 202.604  84.738  1.00 21.43           C  
-ATOM  31695  CG2 VAL T  31      83.837 202.472  86.758  1.00 22.28           C  
-ATOM  31696  N   SER T  32      86.175 199.417  84.314  1.00 21.56           N  
-ATOM  31697  CA  SER T  32      87.399 198.704  84.106  1.00 22.74           C  
-ATOM  31698  C   SER T  32      88.086 199.364  82.923  1.00 22.57           C  
-ATOM  31699  O   SER T  32      87.461 199.569  81.900  1.00 22.36           O  
-ATOM  31700  CB  SER T  32      87.072 197.240  83.787  1.00 23.00           C  
-ATOM  31701  OG  SER T  32      88.207 196.573  83.260  1.00 27.55           O  
-ATOM  31702  N   LEU T  33      89.374 199.670  83.067  1.00 22.49           N  
-ATOM  31703  CA  LEU T  33      90.149 200.264  81.971  1.00 21.83           C  
-ATOM  31704  C   LEU T  33      90.944 199.179  81.287  1.00 21.62           C  
-ATOM  31705  O   LEU T  33      91.661 198.440  81.943  1.00 21.79           O  
-ATOM  31706  CB  LEU T  33      91.088 201.344  82.488  1.00 21.00           C  
-ATOM  31707  CG  LEU T  33      90.477 202.461  83.346  1.00 21.44           C  
-ATOM  31708  CD1 LEU T  33      91.529 203.509  83.521  1.00 19.94           C  
-ATOM  31709  CD2 LEU T  33      89.242 203.127  82.728  1.00 20.82           C  
-ATOM  31710  N   LYS T  34      90.786 199.060  79.973  1.00 21.31           N  
-ATOM  31711  CA  LYS T  34      91.588 198.107  79.194  1.00 20.56           C  
-ATOM  31712  C   LYS T  34      92.591 198.922  78.427  1.00 19.58           C  
-ATOM  31713  O   LYS T  34      92.240 199.578  77.474  1.00 19.51           O  
-ATOM  31714  CB  LYS T  34      90.722 197.330  78.196  1.00 21.24           C  
-ATOM  31715  CG  LYS T  34      89.446 196.787  78.771  1.00 23.52           C  
-ATOM  31716  CD  LYS T  34      89.708 195.497  79.585  1.00 27.22           C  
-ATOM  31717  CE  LYS T  34      88.474 195.193  80.402  1.00 30.44           C  
-ATOM  31718  NZ  LYS T  34      88.672 194.086  81.383  1.00 33.39           N  
-ATOM  31719  N   PHE T  35      93.836 198.887  78.873  1.00 18.71           N  
-ATOM  31720  CA  PHE T  35      94.918 199.665  78.287  1.00 17.69           C  
-ATOM  31721  C   PHE T  35      95.299 199.188  76.910  1.00 16.75           C  
-ATOM  31722  O   PHE T  35      95.490 198.004  76.711  1.00 16.17           O  
-ATOM  31723  CB  PHE T  35      96.104 199.702  79.258  1.00 17.12           C  
-ATOM  31724  CG  PHE T  35      95.795 200.493  80.507  1.00 17.68           C  
-ATOM  31725  CD1 PHE T  35      95.757 201.899  80.482  1.00 18.23           C  
-ATOM  31726  CD2 PHE T  35      95.456 199.830  81.694  1.00 18.38           C  
-ATOM  31727  CE1 PHE T  35      95.417 202.625  81.622  1.00 18.78           C  
-ATOM  31728  CE2 PHE T  35      95.127 200.533  82.830  1.00 17.68           C  
-ATOM  31729  CZ  PHE T  35      95.105 201.949  82.796  1.00 18.18           C  
-ATOM  31730  N   ILE T  36      95.378 200.135  75.980  1.00 15.97           N  
-ATOM  31731  CA  ILE T  36      95.667 199.841  74.562  1.00 16.14           C  
-ATOM  31732  C   ILE T  36      97.073 200.285  74.188  1.00 16.41           C  
-ATOM  31733  O   ILE T  36      97.842 199.540  73.545  1.00 15.77           O  
-ATOM  31734  CB  ILE T  36      94.621 200.446  73.609  1.00 15.84           C  
-ATOM  31735  CG1 ILE T  36      93.201 200.149  74.124  1.00 15.78           C  
-ATOM  31736  CG2 ILE T  36      94.818 199.853  72.155  1.00 14.82           C  
-ATOM  31737  CD1 ILE T  36      92.870 198.572  74.256  1.00 14.16           C  
-ATOM  31738  N   ASN T  37      97.414 201.475  74.651  1.00 16.82           N  
-ATOM  31739  CA  ASN T  37      98.679 202.075  74.330  1.00 18.18           C  
-ATOM  31740  C   ASN T  37      99.114 203.119  75.337  1.00 18.74           C  
-ATOM  31741  O   ASN T  37      98.288 203.761  75.984  1.00 18.89           O  
-ATOM  31742  CB  ASN T  37      98.626 202.687  72.932  1.00 17.82           C  
-ATOM  31743  CG  ASN T  37      99.846 202.362  72.130  1.00 19.73           C  
-ATOM  31744  OD1 ASN T  37     100.997 202.477  72.616  1.00 19.36           O  
-ATOM  31745  ND2 ASN T  37      99.625 201.936  70.893  1.00 16.76           N  
-ATOM  31746  N   ILE T  38     100.425 203.259  75.468  1.00 19.06           N  
-ATOM  31747  CA  ILE T  38     100.997 204.334  76.246  1.00 19.59           C  
-ATOM  31748  C   ILE T  38     101.824 205.117  75.248  1.00 20.22           C  
-ATOM  31749  O   ILE T  38     102.781 204.594  74.705  1.00 20.71           O  
-ATOM  31750  CB  ILE T  38     101.843 203.758  77.405  1.00 19.61           C  
-ATOM  31751  CG1 ILE T  38     100.948 202.991  78.383  1.00 19.60           C  
-ATOM  31752  CG2 ILE T  38     102.532 204.880  78.187  1.00 19.57           C  
-ATOM  31753  CD1 ILE T  38     101.678 201.931  79.201  1.00 19.69           C  
-ATOM  31754  N   LEU T  39     101.440 206.359  74.977  1.00 21.09           N  
-ATOM  31755  CA  LEU T  39     102.000 207.085  73.848  1.00 21.72           C  
-ATOM  31756  C   LEU T  39     103.154 207.995  74.218  1.00 22.38           C  
-ATOM  31757  O   LEU T  39     104.046 208.267  73.395  1.00 23.02           O  
-ATOM  31758  CB  LEU T  39     100.910 207.887  73.142  1.00 21.64           C  
-ATOM  31759  CG  LEU T  39      99.706 207.020  72.776  1.00 23.04           C  
-ATOM  31760  CD1 LEU T  39      98.553 207.854  72.367  1.00 23.83           C  
-ATOM  31761  CD2 LEU T  39     100.049 206.025  71.696  1.00 22.99           C  
-ATOM  31762  N   GLU T  40     103.127 208.493  75.442  1.00 22.48           N  
-ATOM  31763  CA  GLU T  40     104.142 209.428  75.886  1.00 23.01           C  
-ATOM  31764  C   GLU T  40     104.228 209.406  77.393  1.00 22.12           C  
-ATOM  31765  O   GLU T  40     103.234 209.327  78.081  1.00 22.38           O  
-ATOM  31766  CB  GLU T  40     103.832 210.850  75.414  1.00 23.43           C  
-ATOM  31767  CG  GLU T  40     104.949 211.849  75.724  1.00 27.08           C  
-ATOM  31768  CD  GLU T  40     104.627 213.251  75.226  1.00 32.10           C  
-ATOM  31769  OE1 GLU T  40     103.415 213.638  75.239  1.00 33.04           O  
-ATOM  31770  OE2 GLU T  40     105.592 213.960  74.819  1.00 33.68           O  
-ATOM  31771  N   VAL T  41     105.441 209.482  77.888  1.00 21.19           N  
-ATOM  31772  CA  VAL T  41     105.700 209.401  79.287  1.00 20.69           C  
-ATOM  31773  C   VAL T  41     106.751 210.464  79.523  1.00 20.39           C  
-ATOM  31774  O   VAL T  41     107.628 210.682  78.683  1.00 19.86           O  
-ATOM  31775  CB  VAL T  41     106.168 207.950  79.628  1.00 21.00           C  
-ATOM  31776  CG1 VAL T  41     107.173 207.910  80.722  1.00 21.01           C  
-ATOM  31777  CG2 VAL T  41     104.958 207.059  79.957  1.00 20.35           C  
-ATOM  31778  N   ASN T  42     106.646 211.166  80.642  1.00 20.23           N  
-ATOM  31779  CA  ASN T  42     107.655 212.169  80.964  1.00 20.51           C  
-ATOM  31780  C   ASN T  42     108.044 212.029  82.415  1.00 20.68           C  
-ATOM  31781  O   ASN T  42     107.257 212.350  83.301  1.00 20.36           O  
-ATOM  31782  CB  ASN T  42     107.136 213.574  80.655  1.00 20.46           C  
-ATOM  31783  CG  ASN T  42     108.225 214.657  80.772  1.00 20.76           C  
-ATOM  31784  OD1 ASN T  42     109.064 214.634  81.681  1.00 21.39           O  
-ATOM  31785  ND2 ASN T  42     108.187 215.626  79.865  1.00 19.34           N  
-ATOM  31786  N   GLU T  43     109.252 211.528  82.661  1.00 21.16           N  
-ATOM  31787  CA  GLU T  43     109.676 211.262  84.027  1.00 21.90           C  
-ATOM  31788  C   GLU T  43     109.969 212.543  84.816  1.00 21.87           C  
-ATOM  31789  O   GLU T  43     109.908 212.547  86.047  1.00 21.74           O  
-ATOM  31790  CB  GLU T  43     110.859 210.290  84.065  1.00 22.35           C  
-ATOM  31791  CG  GLU T  43     110.807 209.315  85.239  1.00 24.18           C  
-ATOM  31792  CD  GLU T  43     111.998 208.362  85.294  1.00 27.23           C  
-ATOM  31793  OE1 GLU T  43     112.474 207.911  84.212  1.00 28.54           O  
-ATOM  31794  OE2 GLU T  43     112.444 208.057  86.427  1.00 27.33           O  
-ATOM  31795  N   ILE T  44     110.275 213.629  84.108  1.00 21.95           N  
-ATOM  31796  CA  ILE T  44     110.524 214.919  84.761  1.00 22.12           C  
-ATOM  31797  C   ILE T  44     109.212 215.538  85.249  1.00 21.64           C  
-ATOM  31798  O   ILE T  44     109.103 215.930  86.396  1.00 21.71           O  
-ATOM  31799  CB  ILE T  44     111.284 215.910  83.820  1.00 22.40           C  
-ATOM  31800  CG1 ILE T  44     112.593 215.295  83.284  1.00 23.00           C  
-ATOM  31801  CG2 ILE T  44     111.524 217.265  84.516  1.00 22.55           C  
-ATOM  31802  CD1 ILE T  44     113.596 214.861  84.348  1.00 24.14           C  
-ATOM  31803  N   THR T  45     108.212 215.608  84.383  1.00 21.02           N  
-ATOM  31804  CA  THR T  45     106.946 216.246  84.759  1.00 20.42           C  
-ATOM  31805  C   THR T  45     105.955 215.306  85.457  1.00 20.05           C  
-ATOM  31806  O   THR T  45     104.960 215.769  86.045  1.00 19.95           O  
-ATOM  31807  CB  THR T  45     106.280 216.914  83.526  1.00 20.69           C  
-ATOM  31808  OG1 THR T  45     105.988 215.932  82.525  1.00 20.45           O  
-ATOM  31809  CG2 THR T  45     107.273 217.887  82.801  1.00 20.06           C  
-ATOM  31810  N   ASN T  46     106.230 213.995  85.397  1.00 19.35           N  
-ATOM  31811  CA  ASN T  46     105.331 212.964  85.926  1.00 18.70           C  
-ATOM  31812  C   ASN T  46     103.996 212.977  85.212  1.00 18.57           C  
-ATOM  31813  O   ASN T  46     102.949 213.070  85.830  1.00 18.17           O  
-ATOM  31814  CB  ASN T  46     105.144 213.115  87.441  1.00 18.57           C  
-ATOM  31815  CG  ASN T  46     106.152 212.316  88.234  1.00 18.30           C  
-ATOM  31816  OD1 ASN T  46     106.548 211.245  87.818  1.00 17.43           O  
-ATOM  31817  ND2 ASN T  46     106.548 212.826  89.387  1.00 15.36           N  
-ATOM  31818  N   GLU T  47     104.055 212.891  83.894  1.00 18.80           N  
-ATOM  31819  CA  GLU T  47     102.877 212.947  83.061  1.00 19.47           C  
-ATOM  31820  C   GLU T  47     102.918 211.792  82.062  1.00 19.55           C  
-ATOM  31821  O   GLU T  47     103.990 211.416  81.592  1.00 19.16           O  
-ATOM  31822  CB  GLU T  47     102.788 214.294  82.330  1.00 19.38           C  
-ATOM  31823  CG  GLU T  47     102.492 215.483  83.243  1.00 21.66           C  
-ATOM  31824  CD  GLU T  47     102.603 216.858  82.551  1.00 25.92           C  
-ATOM  31825  OE1 GLU T  47     102.420 216.953  81.302  1.00 27.80           O  
-ATOM  31826  OE2 GLU T  47     102.873 217.859  83.276  1.00 27.98           O  
-ATOM  31827  N   VAL T  48     101.745 211.236  81.765  1.00 19.48           N  
-ATOM  31828  CA  VAL T  48     101.606 210.129  80.812  1.00 20.05           C  
-ATOM  31829  C   VAL T  48     100.405 210.350  79.913  1.00 20.11           C  
-ATOM  31830  O   VAL T  48      99.392 210.886  80.346  1.00 20.04           O  
-ATOM  31831  CB  VAL T  48     101.459 208.736  81.511  1.00 19.99           C  
-ATOM  31832  CG1 VAL T  48     102.616 208.472  82.434  1.00 20.56           C  
-ATOM  31833  CG2 VAL T  48     100.189 208.661  82.285  1.00 20.85           C  
-ATOM  31834  N   ASP T  49     100.529 209.932  78.664  1.00 20.50           N  
-ATOM  31835  CA  ASP T  49      99.503 210.058  77.646  1.00 21.37           C  
-ATOM  31836  C   ASP T  49      99.113 208.604  77.327  1.00 21.00           C  
-ATOM  31837  O   ASP T  49      99.984 207.797  76.986  1.00 20.93           O  
-ATOM  31838  CB  ASP T  49     100.133 210.723  76.412  1.00 22.21           C  
-ATOM  31839  CG  ASP T  49      99.117 211.344  75.442  1.00 24.84           C  
-ATOM  31840  OD1 ASP T  49      97.916 211.085  75.522  1.00 28.68           O  
-ATOM  31841  OD2 ASP T  49      99.451 212.121  74.522  1.00 28.49           O  
-ATOM  31842  N   VAL T  50      97.834 208.261  77.453  1.00 20.44           N  
-ATOM  31843  CA  VAL T  50      97.412 206.855  77.405  1.00 20.42           C  
-ATOM  31844  C   VAL T  50      96.131 206.683  76.580  1.00 19.62           C  
-ATOM  31845  O   VAL T  50      95.284 207.572  76.536  1.00 19.11           O  
-ATOM  31846  CB  VAL T  50      97.152 206.286  78.848  1.00 20.76           C  
-ATOM  31847  CG1 VAL T  50      96.668 204.857  78.775  1.00 22.91           C  
-ATOM  31848  CG2 VAL T  50      98.389 206.324  79.677  1.00 22.04           C  
-ATOM  31849  N   VAL T  51      95.979 205.513  75.970  1.00 18.52           N  
-ATOM  31850  CA  VAL T  51      94.763 205.124  75.296  1.00 17.61           C  
-ATOM  31851  C   VAL T  51      94.235 203.860  75.983  1.00 17.62           C  
-ATOM  31852  O   VAL T  51      94.968 202.878  76.145  1.00 16.73           O  
-ATOM  31853  CB  VAL T  51      94.987 204.839  73.787  1.00 18.00           C  
-ATOM  31854  CG1 VAL T  51      93.676 204.401  73.119  1.00 17.39           C  
-ATOM  31855  CG2 VAL T  51      95.563 206.080  73.083  1.00 17.42           C  
-ATOM  31856  N   PHE T  52      92.958 203.901  76.376  1.00 17.72           N  
-ATOM  31857  CA  PHE T  52      92.312 202.822  77.084  1.00 17.55           C  
-ATOM  31858  C   PHE T  52      90.863 202.709  76.622  1.00 18.10           C  
-ATOM  31859  O   PHE T  52      90.266 203.676  76.095  1.00 18.77           O  
-ATOM  31860  CB  PHE T  52      92.411 202.995  78.621  1.00 17.90           C  
-ATOM  31861  CG  PHE T  52      91.899 204.308  79.111  1.00 17.80           C  
-ATOM  31862  CD1 PHE T  52      92.739 205.411  79.164  1.00 19.84           C  
-ATOM  31863  CD2 PHE T  52      90.566 204.465  79.476  1.00 20.35           C  
-ATOM  31864  CE1 PHE T  52      92.278 206.677  79.589  1.00 15.33           C  
-ATOM  31865  CE2 PHE T  52      90.082 205.746  79.932  1.00 18.75           C  
-ATOM  31866  CZ  PHE T  52      90.943 206.826  79.976  1.00 18.41           C  
-ATOM  31867  N   TRP T  53      90.312 201.510  76.774  1.00 16.83           N  
-ATOM  31868  CA  TRP T  53      88.880 201.291  76.606  1.00 17.55           C  
-ATOM  31869  C   TRP T  53      88.288 201.395  78.003  1.00 18.32           C  
-ATOM  31870  O   TRP T  53      88.650 200.641  78.925  1.00 17.67           O  
-ATOM  31871  CB  TRP T  53      88.587 199.909  75.993  1.00 16.56           C  
-ATOM  31872  CG  TRP T  53      89.140 199.750  74.613  1.00 16.45           C  
-ATOM  31873  CD1 TRP T  53      89.628 200.745  73.783  1.00 16.72           C  
-ATOM  31874  CD2 TRP T  53      89.256 198.537  73.890  1.00 16.32           C  
-ATOM  31875  NE1 TRP T  53      90.053 200.195  72.598  1.00 17.34           N  
-ATOM  31876  CE2 TRP T  53      89.850 198.838  72.643  1.00 17.06           C  
-ATOM  31877  CE3 TRP T  53      88.955 197.196  74.184  1.00 18.39           C  
-ATOM  31878  CZ2 TRP T  53      90.124 197.848  71.679  1.00 19.00           C  
-ATOM  31879  CZ3 TRP T  53      89.214 196.219  73.217  1.00 19.42           C  
-ATOM  31880  CH2 TRP T  53      89.798 196.550  71.991  1.00 19.36           C  
-ATOM  31881  N   GLN T  54      87.401 202.368  78.185  1.00 19.07           N  
-ATOM  31882  CA  GLN T  54      86.744 202.495  79.481  1.00 19.86           C  
-ATOM  31883  C   GLN T  54      85.443 201.710  79.525  1.00 19.87           C  
-ATOM  31884  O   GLN T  54      84.357 202.283  79.264  1.00 19.68           O  
-ATOM  31885  CB  GLN T  54      86.496 203.949  79.803  1.00 19.99           C  
-ATOM  31886  CG  GLN T  54      85.980 204.220  81.228  1.00 23.02           C  
-ATOM  31887  CD  GLN T  54      86.050 205.719  81.558  1.00 27.98           C  
-ATOM  31888  OE1 GLN T  54      87.137 206.317  81.572  1.00 29.14           O  
-ATOM  31889  NE2 GLN T  54      84.885 206.333  81.763  1.00 29.51           N  
-ATOM  31890  N   GLN T  55      85.551 200.434  79.876  1.00 19.27           N  
-ATOM  31891  CA  GLN T  55      84.429 199.531  79.939  1.00 19.85           C  
-ATOM  31892  C   GLN T  55      83.532 199.875  81.120  1.00 19.90           C  
-ATOM  31893  O   GLN T  55      83.933 199.709  82.270  1.00 19.55           O  
-ATOM  31894  CB  GLN T  55      84.920 198.074  80.089  1.00 20.04           C  
-ATOM  31895  CG  GLN T  55      83.784 197.104  80.287  1.00 22.00           C  
-ATOM  31896  CD  GLN T  55      84.216 195.643  80.341  1.00 26.27           C  
-ATOM  31897  OE1 GLN T  55      85.359 195.301  80.073  1.00 28.29           O  
-ATOM  31898  NE2 GLN T  55      83.291 194.793  80.704  1.00 26.71           N  
-ATOM  31899  N   THR T  56      82.305 200.303  80.817  1.00 19.58           N  
-ATOM  31900  CA  THR T  56      81.361 200.840  81.806  1.00 19.88           C  
-ATOM  31901  C   THR T  56      79.991 200.180  81.706  1.00 19.81           C  
-ATOM  31902  O   THR T  56      79.384 200.062  80.638  1.00 19.25           O  
-ATOM  31903  CB  THR T  56      81.213 202.364  81.606  1.00 20.73           C  
-ATOM  31904  OG1 THR T  56      82.496 202.864  81.236  1.00 22.17           O  
-ATOM  31905  CG2 THR T  56      80.891 203.058  82.928  1.00 20.21           C  
-ATOM  31906  N   THR T  57      79.491 199.773  82.859  1.00 19.40           N  
-ATOM  31907  CA  THR T  57      78.387 198.857  82.935  1.00 19.62           C  
-ATOM  31908  C   THR T  57      77.489 199.277  84.076  1.00 18.78           C  
-ATOM  31909  O   THR T  57      77.972 199.658  85.127  1.00 18.45           O  
-ATOM  31910  CB  THR T  57      78.958 197.428  83.141  1.00 20.34           C  
-ATOM  31911  OG1 THR T  57      78.793 196.649  81.945  1.00 22.26           O  
-ATOM  31912  CG2 THR T  57      78.247 196.691  84.149  1.00 21.63           C  
-ATOM  31913  N   TRP T  58      76.177 199.251  83.830  1.00 17.49           N  
-ATOM  31914  CA  TRP T  58      75.187 199.599  84.821  1.00 17.46           C  
-ATOM  31915  C   TRP T  58      73.838 199.146  84.316  1.00 17.66           C  
-ATOM  31916  O   TRP T  58      73.682 198.701  83.170  1.00 17.76           O  
-ATOM  31917  CB  TRP T  58      75.147 201.120  85.161  1.00 16.33           C  
-ATOM  31918  CG  TRP T  58      74.631 201.958  84.037  1.00 16.75           C  
-ATOM  31919  CD1 TRP T  58      73.333 202.348  83.835  1.00 16.72           C  
-ATOM  31920  CD2 TRP T  58      75.382 202.487  82.915  1.00 15.42           C  
-ATOM  31921  NE1 TRP T  58      73.240 203.083  82.676  1.00 15.72           N  
-ATOM  31922  CE2 TRP T  58      74.477 203.183  82.095  1.00 13.84           C  
-ATOM  31923  CE3 TRP T  58      76.734 202.420  82.514  1.00 14.60           C  
-ATOM  31924  CZ2 TRP T  58      74.860 203.799  80.897  1.00 14.14           C  
-ATOM  31925  CZ3 TRP T  58      77.115 203.074  81.333  1.00 13.94           C  
-ATOM  31926  CH2 TRP T  58      76.190 203.745  80.551  1.00 15.29           C  
-ATOM  31927  N   SER T  59      72.859 199.272  85.190  1.00 17.66           N  
-ATOM  31928  CA  SER T  59      71.528 198.848  84.877  1.00 19.15           C  
-ATOM  31929  C   SER T  59      70.557 200.015  84.896  1.00 19.00           C  
-ATOM  31930  O   SER T  59      70.596 200.854  85.793  1.00 18.74           O  
-ATOM  31931  CB  SER T  59      71.106 197.755  85.853  1.00 19.05           C  
-ATOM  31932  OG  SER T  59      69.716 197.791  86.020  1.00 22.55           O  
-ATOM  31933  N   ASP T  60      69.703 200.063  83.886  1.00 19.48           N  
-ATOM  31934  CA  ASP T  60      68.639 201.067  83.810  1.00 20.06           C  
-ATOM  31935  C   ASP T  60      67.314 200.394  83.377  1.00 19.70           C  
-ATOM  31936  O   ASP T  60      67.077 200.147  82.200  1.00 19.08           O  
-ATOM  31937  CB  ASP T  60      69.040 202.178  82.847  1.00 19.91           C  
-ATOM  31938  CG  ASP T  60      68.038 203.345  82.836  1.00 22.57           C  
-ATOM  31939  OD1 ASP T  60      66.868 203.194  83.314  1.00 21.48           O  
-ATOM  31940  OD2 ASP T  60      68.383 204.468  82.345  1.00 24.53           O  
-ATOM  31941  N   ARG T  61      66.453 200.116  84.336  1.00 20.41           N  
-ATOM  31942  CA  ARG T  61      65.254 199.343  84.058  1.00 21.90           C  
-ATOM  31943  C   ARG T  61      64.210 200.137  83.259  1.00 21.05           C  
-ATOM  31944  O   ARG T  61      63.315 199.554  82.675  1.00 20.48           O  
-ATOM  31945  CB  ARG T  61      64.644 198.742  85.342  1.00 22.88           C  
-ATOM  31946  CG  ARG T  61      65.464 197.637  86.049  1.00 27.54           C  
-ATOM  31947  CD  ARG T  61      66.030 196.570  85.110  1.00 36.23           C  
-ATOM  31948  NE  ARG T  61      66.080 195.204  85.668  1.00 40.76           N  
-ATOM  31949  CZ  ARG T  61      65.404 194.146  85.167  1.00 41.70           C  
-ATOM  31950  NH1 ARG T  61      64.610 194.291  84.100  1.00 39.79           N  
-ATOM  31951  NH2 ARG T  61      65.515 192.942  85.742  1.00 41.83           N  
-ATOM  31952  N   THR T  62      64.331 201.454  83.199  1.00 20.86           N  
-ATOM  31953  CA  THR T  62      63.414 202.213  82.352  1.00 21.35           C  
-ATOM  31954  C   THR T  62      63.663 201.924  80.867  1.00 20.67           C  
-ATOM  31955  O   THR T  62      62.869 202.286  80.046  1.00 20.56           O  
-ATOM  31956  CB  THR T  62      63.477 203.731  82.606  1.00 21.36           C  
-ATOM  31957  OG1 THR T  62      64.777 204.193  82.251  1.00 22.96           O  
-ATOM  31958  CG2 THR T  62      63.332 204.054  84.101  1.00 22.27           C  
-ATOM  31959  N   LEU T  63      64.782 201.294  80.535  1.00 20.01           N  
-ATOM  31960  CA  LEU T  63      65.083 200.998  79.150  1.00 19.73           C  
-ATOM  31961  C   LEU T  63      64.541 199.634  78.739  1.00 19.67           C  
-ATOM  31962  O   LEU T  63      64.509 199.332  77.554  1.00 19.78           O  
-ATOM  31963  CB  LEU T  63      66.591 201.030  78.889  1.00 19.68           C  
-ATOM  31964  CG  LEU T  63      67.399 202.307  79.171  1.00 20.56           C  
-ATOM  31965  CD1 LEU T  63      68.852 202.018  78.963  1.00 18.77           C  
-ATOM  31966  CD2 LEU T  63      66.951 203.499  78.307  1.00 19.58           C  
-ATOM  31967  N   ALA T  64      64.116 198.829  79.716  1.00 19.21           N  
-ATOM  31968  CA  ALA T  64      63.754 197.424  79.498  1.00 19.08           C  
-ATOM  31969  C   ALA T  64      62.557 197.247  78.551  1.00 19.06           C  
-ATOM  31970  O   ALA T  64      61.639 198.063  78.508  1.00 19.03           O  
-ATOM  31971  CB  ALA T  64      63.456 196.748  80.827  1.00 18.85           C  
-ATOM  31972  N   TRP T  65      62.579 196.170  77.783  1.00 18.75           N  
-ATOM  31973  CA  TRP T  65      61.457 195.822  76.937  1.00 18.56           C  
-ATOM  31974  C   TRP T  65      61.315 194.299  76.895  1.00 19.14           C  
-ATOM  31975  O   TRP T  65      62.263 193.582  77.141  1.00 18.77           O  
-ATOM  31976  CB  TRP T  65      61.631 196.412  75.523  1.00 17.93           C  
-ATOM  31977  CG  TRP T  65      62.719 195.750  74.721  1.00 16.69           C  
-ATOM  31978  CD1 TRP T  65      62.603 194.652  73.922  1.00 14.99           C  
-ATOM  31979  CD2 TRP T  65      64.104 196.143  74.655  1.00 14.31           C  
-ATOM  31980  NE1 TRP T  65      63.815 194.347  73.354  1.00 13.78           N  
-ATOM  31981  CE2 TRP T  65      64.756 195.243  73.780  1.00 12.89           C  
-ATOM  31982  CE3 TRP T  65      64.852 197.179  75.229  1.00 12.72           C  
-ATOM  31983  CZ2 TRP T  65      66.126 195.326  73.490  1.00 11.98           C  
-ATOM  31984  CZ3 TRP T  65      66.223 197.258  74.946  1.00 12.64           C  
-ATOM  31985  CH2 TRP T  65      66.841 196.341  74.077  1.00 12.17           C  
-ATOM  31986  N   ASN T  66      60.114 193.829  76.577  1.00 19.78           N  
-ATOM  31987  CA  ASN T  66      59.832 192.421  76.450  1.00 20.65           C  
-ATOM  31988  C   ASN T  66      60.440 191.924  75.127  1.00 20.58           C  
-ATOM  31989  O   ASN T  66      60.006 192.354  74.051  1.00 20.50           O  
-ATOM  31990  CB  ASN T  66      58.306 192.231  76.479  1.00 21.34           C  
-ATOM  31991  CG  ASN T  66      57.890 190.779  76.563  1.00 22.86           C  
-ATOM  31992  OD1 ASN T  66      58.590 189.905  76.070  1.00 23.28           O  
-ATOM  31993  ND2 ASN T  66      56.729 190.510  77.200  1.00 25.36           N  
-ATOM  31994  N   SER T  67      61.446 191.043  75.192  1.00 19.32           N  
-ATOM  31995  CA  SER T  67      62.108 190.512  73.968  1.00 18.78           C  
-ATOM  31996  C   SER T  67      61.788 189.043  73.610  1.00 18.73           C  
-ATOM  31997  O   SER T  67      62.554 188.373  72.890  1.00 17.24           O  
-ATOM  31998  CB  SER T  67      63.619 190.701  74.020  1.00 18.59           C  
-ATOM  31999  OG  SER T  67      64.163 190.105  75.190  1.00 19.16           O  
-ATOM  32000  N   SER T  68      60.648 188.550  74.088  1.00 18.70           N  
-ATOM  32001  CA  SER T  68      60.240 187.169  73.765  1.00 19.24           C  
-ATOM  32002  C   SER T  68      60.191 186.908  72.256  1.00 19.69           C  
-ATOM  32003  O   SER T  68      60.585 185.832  71.792  1.00 20.34           O  
-ATOM  32004  CB  SER T  68      58.899 186.841  74.417  1.00 19.07           C  
-ATOM  32005  OG  SER T  68      57.896 187.745  73.968  1.00 19.73           O  
-ATOM  32006  N   HIS T  69      59.733 187.891  71.482  1.00 20.32           N  
-ATOM  32007  CA  HIS T  69      59.738 187.777  70.017  1.00 20.90           C  
-ATOM  32008  C   HIS T  69      60.408 188.983  69.387  1.00 21.37           C  
-ATOM  32009  O   HIS T  69      60.056 189.412  68.275  1.00 21.66           O  
-ATOM  32010  CB  HIS T  69      58.321 187.614  69.487  1.00 20.48           C  
-ATOM  32011  CG  HIS T  69      57.582 186.495  70.137  1.00 21.55           C  
-ATOM  32012  ND1 HIS T  69      57.739 185.184  69.748  1.00 22.15           N  
-ATOM  32013  CD2 HIS T  69      56.720 186.482  71.178  1.00 21.35           C  
-ATOM  32014  CE1 HIS T  69      56.993 184.410  70.515  1.00 22.37           C  
-ATOM  32015  NE2 HIS T  69      56.368 185.173  71.391  1.00 22.17           N  
-ATOM  32016  N   SER T  70      61.389 189.512  70.096  1.00 21.94           N  
-ATOM  32017  CA  SER T  70      62.103 190.672  69.602  1.00 21.95           C  
-ATOM  32018  C   SER T  70      63.606 190.518  69.814  1.00 21.74           C  
-ATOM  32019  O   SER T  70      64.028 189.698  70.631  1.00 21.27           O  
-ATOM  32020  CB  SER T  70      61.608 191.941  70.301  1.00 21.91           C  
-ATOM  32021  OG  SER T  70      60.195 192.050  70.235  1.00 22.71           O  
-ATOM  32022  N   PRO T  71      64.402 191.297  69.068  1.00 21.61           N  
-ATOM  32023  CA  PRO T  71      65.844 191.434  69.347  1.00 21.26           C  
-ATOM  32024  C   PRO T  71      66.010 191.750  70.803  1.00 20.76           C  
-ATOM  32025  O   PRO T  71      65.199 192.465  71.379  1.00 20.48           O  
-ATOM  32026  CB  PRO T  71      66.257 192.630  68.497  1.00 20.95           C  
-ATOM  32027  CG  PRO T  71      65.278 192.621  67.373  1.00 21.63           C  
-ATOM  32028  CD  PRO T  71      63.988 192.087  67.894  1.00 21.46           C  
-ATOM  32029  N   ASP T  72      67.038 191.204  71.415  1.00 20.82           N  
-ATOM  32030  CA  ASP T  72      67.202 191.394  72.843  1.00 21.43           C  
-ATOM  32031  C   ASP T  72      68.308 192.358  73.199  1.00 20.19           C  
-ATOM  32032  O   ASP T  72      68.550 192.553  74.387  1.00 20.16           O  
-ATOM  32033  CB  ASP T  72      67.367 190.027  73.543  1.00 22.83           C  
-ATOM  32034  CG  ASP T  72      68.784 189.517  73.482  1.00 26.67           C  
-ATOM  32035  OD1 ASP T  72      69.360 189.565  72.362  1.00 30.10           O  
-ATOM  32036  OD2 ASP T  72      69.414 189.092  74.502  1.00 31.84           O  
-ATOM  32037  N   GLN T  73      68.952 192.946  72.172  1.00 18.69           N  
-ATOM  32038  CA  GLN T  73      69.982 193.987  72.312  1.00 17.68           C  
-ATOM  32039  C   GLN T  73      69.932 195.008  71.178  1.00 16.48           C  
-ATOM  32040  O   GLN T  73      69.651 194.646  70.021  1.00 15.60           O  
-ATOM  32041  CB  GLN T  73      71.364 193.376  72.281  1.00 18.05           C  
-ATOM  32042  CG  GLN T  73      71.766 192.656  73.529  1.00 20.90           C  
-ATOM  32043  CD  GLN T  73      73.238 192.351  73.574  1.00 22.76           C  
-ATOM  32044  OE1 GLN T  73      74.076 193.199  73.226  1.00 24.23           O  
-ATOM  32045  NE2 GLN T  73      73.563 191.142  74.018  1.00 20.47           N  
-ATOM  32046  N   VAL T  74      70.212 196.272  71.498  1.00 15.23           N  
-ATOM  32047  CA  VAL T  74      70.403 197.302  70.463  1.00 14.50           C  
-ATOM  32048  C   VAL T  74      71.572 198.223  70.805  1.00 15.08           C  
-ATOM  32049  O   VAL T  74      71.937 198.364  71.993  1.00 14.34           O  
-ATOM  32050  CB  VAL T  74      69.121 198.175  70.263  1.00 14.55           C  
-ATOM  32051  CG1 VAL T  74      68.016 197.381  69.627  1.00 13.71           C  
-ATOM  32052  CG2 VAL T  74      68.655 198.793  71.607  1.00 12.51           C  
-ATOM  32053  N   SER T  75      72.120 198.880  69.775  1.00 14.83           N  
-ATOM  32054  CA  SER T  75      73.056 199.967  69.971  1.00 15.11           C  
-ATOM  32055  C   SER T  75      72.280 201.288  70.014  1.00 15.81           C  
-ATOM  32056  O   SER T  75      71.450 201.554  69.160  1.00 16.06           O  
-ATOM  32057  CB  SER T  75      74.074 200.022  68.830  1.00 15.23           C  
-ATOM  32058  OG  SER T  75      74.834 198.836  68.726  1.00 15.35           O  
-ATOM  32059  N   VAL T  76      72.596 202.129  70.986  1.00 15.93           N  
-ATOM  32060  CA  VAL T  76      71.876 203.373  71.227  1.00 15.92           C  
-ATOM  32061  C   VAL T  76      72.871 204.533  71.396  1.00 16.24           C  
-ATOM  32062  O   VAL T  76      73.866 204.396  72.115  1.00 15.81           O  
-ATOM  32063  CB  VAL T  76      71.046 203.248  72.509  1.00 16.46           C  
-ATOM  32064  CG1 VAL T  76      70.147 204.475  72.738  1.00 14.86           C  
-ATOM  32065  CG2 VAL T  76      70.197 201.947  72.454  1.00 14.71           C  
-ATOM  32066  N   PRO T  77      72.644 205.650  70.710  1.00 16.90           N  
-ATOM  32067  CA  PRO T  77      73.468 206.847  70.930  1.00 17.09           C  
-ATOM  32068  C   PRO T  77      73.419 207.205  72.421  1.00 17.46           C  
-ATOM  32069  O   PRO T  77      72.310 207.166  72.976  1.00 16.95           O  
-ATOM  32070  CB  PRO T  77      72.779 207.930  70.074  1.00 17.20           C  
-ATOM  32071  CG  PRO T  77      71.900 207.241  69.093  1.00 17.64           C  
-ATOM  32072  CD  PRO T  77      71.621 205.846  69.655  1.00 17.06           C  
-ATOM  32073  N   ILE T  78      74.560 207.463  73.073  1.00 18.02           N  
-ATOM  32074  CA  ILE T  78      74.548 207.842  74.500  1.00 18.99           C  
-ATOM  32075  C   ILE T  78      73.760 209.141  74.789  1.00 19.80           C  
-ATOM  32076  O   ILE T  78      73.303 209.362  75.914  1.00 19.89           O  
-ATOM  32077  CB  ILE T  78      75.968 207.957  75.086  1.00 19.80           C  
-ATOM  32078  CG1 ILE T  78      76.773 209.089  74.412  1.00 20.38           C  
-ATOM  32079  CG2 ILE T  78      76.696 206.667  75.026  1.00 18.94           C  
-ATOM  32080  CD1 ILE T  78      77.993 209.568  75.305  1.00 23.46           C  
-ATOM  32081  N   SER T  79      73.565 209.979  73.783  1.00 20.01           N  
-ATOM  32082  CA  SER T  79      72.719 211.156  73.962  1.00 21.29           C  
-ATOM  32083  C   SER T  79      71.267 210.753  74.272  1.00 21.08           C  
-ATOM  32084  O   SER T  79      70.528 211.525  74.831  1.00 21.21           O  
-ATOM  32085  CB  SER T  79      72.801 212.097  72.737  1.00 21.94           C  
-ATOM  32086  OG  SER T  79      72.170 211.506  71.594  1.00 24.34           O  
-ATOM  32087  N   SER T  80      70.866 209.531  73.917  1.00 20.85           N  
-ATOM  32088  CA  SER T  80      69.529 209.053  74.268  1.00 20.93           C  
-ATOM  32089  C   SER T  80      69.451 208.339  75.639  1.00 20.37           C  
-ATOM  32090  O   SER T  80      68.394 207.902  76.063  1.00 20.59           O  
-ATOM  32091  CB  SER T  80      69.005 208.122  73.170  1.00 20.74           C  
-ATOM  32092  OG  SER T  80      68.670 208.874  72.021  1.00 24.18           O  
-ATOM  32093  N   LEU T  81      70.564 208.241  76.326  1.00 19.63           N  
-ATOM  32094  CA  LEU T  81      70.647 207.433  77.529  1.00 19.70           C  
-ATOM  32095  C   LEU T  81      71.209 208.248  78.674  1.00 18.80           C  
-ATOM  32096  O   LEU T  81      71.998 209.156  78.436  1.00 18.57           O  
-ATOM  32097  CB  LEU T  81      71.649 206.294  77.293  1.00 20.40           C  
-ATOM  32098  CG  LEU T  81      71.369 205.173  76.310  1.00 22.12           C  
-ATOM  32099  CD1 LEU T  81      72.407 204.060  76.461  1.00 22.41           C  
-ATOM  32100  CD2 LEU T  81      70.008 204.628  76.596  1.00 24.25           C  
-ATOM  32101  N   TRP T  82      70.866 207.889  79.909  1.00 17.97           N  
-ATOM  32102  CA  TRP T  82      71.601 208.424  81.050  1.00 17.76           C  
-ATOM  32103  C   TRP T  82      72.915 207.647  81.074  1.00 18.08           C  
-ATOM  32104  O   TRP T  82      72.936 206.382  80.928  1.00 17.98           O  
-ATOM  32105  CB  TRP T  82      70.875 208.199  82.392  1.00 16.83           C  
-ATOM  32106  CG  TRP T  82      71.709 208.629  83.597  1.00 17.58           C  
-ATOM  32107  CD1 TRP T  82      71.795 209.901  84.136  1.00 15.84           C  
-ATOM  32108  CD2 TRP T  82      72.566 207.799  84.408  1.00 15.93           C  
-ATOM  32109  NE1 TRP T  82      72.640 209.894  85.225  1.00 16.72           N  
-ATOM  32110  CE2 TRP T  82      73.110 208.616  85.427  1.00 17.16           C  
-ATOM  32111  CE3 TRP T  82      72.894 206.450  84.399  1.00 15.51           C  
-ATOM  32112  CZ2 TRP T  82      74.002 208.115  86.401  1.00 15.35           C  
-ATOM  32113  CZ3 TRP T  82      73.754 205.933  85.366  1.00 15.25           C  
-ATOM  32114  CH2 TRP T  82      74.296 206.740  86.355  1.00 16.17           C  
-ATOM  32115  N   VAL T  83      73.990 208.370  81.339  1.00 17.56           N  
-ATOM  32116  CA  VAL T  83      75.298 207.795  81.436  1.00 18.14           C  
-ATOM  32117  C   VAL T  83      75.946 208.313  82.727  1.00 18.26           C  
-ATOM  32118  O   VAL T  83      75.790 209.497  83.076  1.00 18.71           O  
-ATOM  32119  CB  VAL T  83      76.095 208.174  80.185  1.00 19.16           C  
-ATOM  32120  CG1 VAL T  83      77.597 207.978  80.370  1.00 20.91           C  
-ATOM  32121  CG2 VAL T  83      75.575 207.390  78.953  1.00 19.28           C  
-ATOM  32122  N   PRO T  84      76.681 207.473  83.448  1.00 18.39           N  
-ATOM  32123  CA  PRO T  84      77.322 207.942  84.697  1.00 18.76           C  
-ATOM  32124  C   PRO T  84      78.309 209.094  84.480  1.00 17.89           C  
-ATOM  32125  O   PRO T  84      79.062 209.073  83.513  1.00 17.73           O  
-ATOM  32126  CB  PRO T  84      78.064 206.705  85.250  1.00 18.21           C  
-ATOM  32127  CG  PRO T  84      77.749 205.505  84.305  1.00 19.15           C  
-ATOM  32128  CD  PRO T  84      76.934 206.039  83.169  1.00 18.74           C  
-ATOM  32129  N   ASP T  85      78.319 210.069  85.372  1.00 17.21           N  
-ATOM  32130  CA  ASP T  85      79.134 211.285  85.122  1.00 17.46           C  
-ATOM  32131  C   ASP T  85      80.591 211.034  85.627  1.00 17.56           C  
-ATOM  32132  O   ASP T  85      81.082 211.740  86.524  1.00 16.84           O  
-ATOM  32133  CB  ASP T  85      78.507 212.476  85.829  1.00 16.90           C  
-ATOM  32134  CG  ASP T  85      78.406 212.270  87.347  1.00 19.22           C  
-ATOM  32135  OD1 ASP T  85      78.220 211.069  87.806  1.00 18.44           O  
-ATOM  32136  OD2 ASP T  85      78.515 213.232  88.164  1.00 19.64           O  
-ATOM  32137  N   LEU T  86      81.246 209.981  85.088  1.00 17.37           N  
-ATOM  32138  CA  LEU T  86      82.582 209.587  85.572  1.00 17.26           C  
-ATOM  32139  C   LEU T  86      83.655 210.548  85.130  1.00 17.32           C  
-ATOM  32140  O   LEU T  86      83.623 211.069  84.000  1.00 17.69           O  
-ATOM  32141  CB  LEU T  86      82.975 208.169  85.157  1.00 17.15           C  
-ATOM  32142  CG  LEU T  86      82.033 207.058  85.641  1.00 17.34           C  
-ATOM  32143  CD1 LEU T  86      82.469 205.716  85.142  1.00 17.42           C  
-ATOM  32144  CD2 LEU T  86      81.827 207.046  87.153  1.00 15.64           C  
-ATOM  32145  N   ALA T  87      84.624 210.760  86.003  1.00 16.85           N  
-ATOM  32146  CA  ALA T  87      85.749 211.592  85.679  1.00 17.15           C  
-ATOM  32147  C   ALA T  87      87.000 210.975  86.233  1.00 17.32           C  
-ATOM  32148  O   ALA T  87      86.963 210.330  87.287  1.00 17.29           O  
-ATOM  32149  CB  ALA T  87      85.540 213.042  86.255  1.00 16.81           C  
-ATOM  32150  N   ALA T  88      88.124 211.206  85.559  1.00 17.53           N  
-ATOM  32151  CA  ALA T  88      89.411 210.818  86.143  1.00 17.70           C  
-ATOM  32152  C   ALA T  88      89.946 212.031  86.927  1.00 17.76           C  
-ATOM  32153  O   ALA T  88      90.112 213.144  86.351  1.00 18.04           O  
-ATOM  32154  CB  ALA T  88      90.379 210.354  85.090  1.00 17.52           C  
-ATOM  32155  N   TYR T  89      90.144 211.838  88.240  1.00 16.96           N  
-ATOM  32156  CA  TYR T  89      90.533 212.926  89.141  1.00 17.25           C  
-ATOM  32157  C   TYR T  89      91.919 213.506  88.903  1.00 16.97           C  
-ATOM  32158  O   TYR T  89      92.158 214.678  89.253  1.00 17.58           O  
-ATOM  32159  CB  TYR T  89      90.471 212.482  90.607  1.00 17.08           C  
-ATOM  32160  CG  TYR T  89      89.098 212.494  91.223  1.00 18.06           C  
-ATOM  32161  CD1 TYR T  89      88.081 211.668  90.737  1.00 18.69           C  
-ATOM  32162  CD2 TYR T  89      88.814 213.328  92.299  1.00 18.84           C  
-ATOM  32163  CE1 TYR T  89      86.807 211.671  91.301  1.00 21.51           C  
-ATOM  32164  CE2 TYR T  89      87.527 213.343  92.901  1.00 19.66           C  
-ATOM  32165  CZ  TYR T  89      86.530 212.517  92.404  1.00 22.64           C  
-ATOM  32166  OH  TYR T  89      85.266 212.544  92.986  1.00 24.18           O  
-ATOM  32167  N   ASN T  90      92.835 212.705  88.367  1.00 15.92           N  
-ATOM  32168  CA  ASN T  90      94.186 213.177  88.025  1.00 15.59           C  
-ATOM  32169  C   ASN T  90      94.421 213.378  86.518  1.00 15.51           C  
-ATOM  32170  O   ASN T  90      95.560 213.482  86.060  1.00 15.01           O  
-ATOM  32171  CB  ASN T  90      95.241 212.281  88.645  1.00 15.31           C  
-ATOM  32172  CG  ASN T  90      95.108 210.823  88.213  1.00 16.41           C  
-ATOM  32173  OD1 ASN T  90      94.009 210.291  88.080  1.00 16.34           O  
-ATOM  32174  ND2 ASN T  90      96.251 210.182  87.996  1.00 14.96           N  
-ATOM  32175  N   ALA T  91      93.337 213.450  85.745  1.00 15.07           N  
-ATOM  32176  CA  ALA T  91      93.464 213.757  84.334  1.00 15.40           C  
-ATOM  32177  C   ALA T  91      93.893 215.248  84.185  1.00 15.51           C  
-ATOM  32178  O   ALA T  91      93.450 216.091  84.946  1.00 14.49           O  
-ATOM  32179  CB  ALA T  91      92.161 213.509  83.619  1.00 15.25           C  
-ATOM  32180  N   ILE T  92      94.772 215.520  83.223  1.00 15.55           N  
-ATOM  32181  CA  ILE T  92      95.221 216.875  82.959  1.00 16.34           C  
-ATOM  32182  C   ILE T  92      94.867 217.244  81.508  1.00 17.00           C  
-ATOM  32183  O   ILE T  92      95.282 218.271  81.002  1.00 16.60           O  
-ATOM  32184  CB  ILE T  92      96.742 217.015  83.227  1.00 16.68           C  
-ATOM  32185  CG1 ILE T  92      97.534 215.976  82.405  1.00 16.26           C  
-ATOM  32186  CG2 ILE T  92      97.060 216.883  84.747  1.00 15.60           C  
-ATOM  32187  CD1 ILE T  92      99.056 216.243  82.328  1.00 16.08           C  
-ATOM  32188  N   SER T  93      94.084 216.393  80.847  1.00 17.40           N  
-ATOM  32189  CA  SER T  93      93.522 216.797  79.554  1.00 18.96           C  
-ATOM  32190  C   SER T  93      92.124 216.297  79.495  1.00 19.40           C  
-ATOM  32191  O   SER T  93      91.744 215.414  80.280  1.00 19.51           O  
-ATOM  32192  CB  SER T  93      94.326 216.236  78.359  1.00 18.61           C  
-ATOM  32193  OG  SER T  93      94.079 214.843  78.228  1.00 18.82           O  
-ATOM  32194  N   LYS T  94      91.373 216.831  78.543  1.00 20.30           N  
-ATOM  32195  CA  LYS T  94      89.975 216.420  78.383  1.00 22.31           C  
-ATOM  32196  C   LYS T  94      89.990 215.056  77.747  1.00 21.56           C  
-ATOM  32197  O   LYS T  94      90.798 214.807  76.886  1.00 22.70           O  
-ATOM  32198  CB  LYS T  94      89.206 217.392  77.481  1.00 23.08           C  
-ATOM  32199  CG  LYS T  94      87.682 217.334  77.650  1.00 26.42           C  
-ATOM  32200  CD  LYS T  94      86.989 218.520  76.900  1.00 34.10           C  
-ATOM  32201  CE  LYS T  94      85.453 218.515  77.146  1.00 37.36           C  
-ATOM  32202  NZ  LYS T  94      84.863 219.921  77.242  1.00 38.70           N  
-ATOM  32203  N   PRO T  95      89.103 214.175  78.156  1.00 22.18           N  
-ATOM  32204  CA  PRO T  95      89.080 212.823  77.567  1.00 22.57           C  
-ATOM  32205  C   PRO T  95      88.745 212.919  76.088  1.00 22.33           C  
-ATOM  32206  O   PRO T  95      87.736 213.482  75.717  1.00 24.27           O  
-ATOM  32207  CB  PRO T  95      87.983 212.104  78.368  1.00 22.73           C  
-ATOM  32208  CG  PRO T  95      87.138 213.214  78.949  1.00 23.33           C  
-ATOM  32209  CD  PRO T  95      88.056 214.374  79.173  1.00 21.07           C  
-ATOM  32210  N   GLU T  96      89.636 212.456  75.237  1.00 22.86           N  
-ATOM  32211  CA  GLU T  96      89.384 212.403  73.789  1.00 23.06           C  
-ATOM  32212  C   GLU T  96      88.777 211.025  73.450  1.00 21.94           C  
-ATOM  32213  O   GLU T  96      89.464 209.997  73.554  1.00 21.82           O  
-ATOM  32214  CB  GLU T  96      90.720 212.593  73.060  1.00 23.63           C  
-ATOM  32215  CG  GLU T  96      90.657 212.801  71.546  1.00 28.46           C  
-ATOM  32216  CD  GLU T  96      92.052 213.088  70.967  1.00 35.06           C  
-ATOM  32217  OE1 GLU T  96      92.934 213.547  71.754  1.00 38.10           O  
-ATOM  32218  OE2 GLU T  96      92.284 212.843  69.743  1.00 38.26           O  
-ATOM  32219  N   VAL T  97      87.499 211.006  73.081  1.00 21.16           N  
-ATOM  32220  CA  VAL T  97      86.781 209.768  72.726  1.00 19.97           C  
-ATOM  32221  C   VAL T  97      87.056 209.446  71.263  1.00 19.89           C  
-ATOM  32222  O   VAL T  97      86.692 210.225  70.359  1.00 18.99           O  
-ATOM  32223  CB  VAL T  97      85.238 209.889  72.936  1.00 20.36           C  
-ATOM  32224  CG1 VAL T  97      84.530 208.604  72.553  1.00 19.21           C  
-ATOM  32225  CG2 VAL T  97      84.861 210.288  74.361  1.00 19.06           C  
-ATOM  32226  N   LEU T  98      87.682 208.289  71.030  1.00 18.82           N  
-ATOM  32227  CA  LEU T  98      88.127 207.931  69.698  1.00 19.02           C  
-ATOM  32228  C   LEU T  98      87.105 207.145  68.870  1.00 18.81           C  
-ATOM  32229  O   LEU T  98      87.286 206.973  67.664  1.00 19.36           O  
-ATOM  32230  CB  LEU T  98      89.462 207.173  69.774  1.00 19.24           C  
-ATOM  32231  CG  LEU T  98      90.595 207.819  70.593  1.00 19.96           C  
-ATOM  32232  CD1 LEU T  98      91.765 206.907  70.656  1.00 19.12           C  
-ATOM  32233  CD2 LEU T  98      91.058 209.160  70.030  1.00 19.85           C  
-ATOM  32234  N   THR T  99      86.036 206.675  69.510  1.00 18.39           N  
-ATOM  32235  CA  THR T  99      85.118 205.706  68.895  1.00 18.25           C  
-ATOM  32236  C   THR T  99      83.707 206.285  68.766  1.00 18.63           C  
-ATOM  32237  O   THR T  99      83.411 207.299  69.413  1.00 18.89           O  
-ATOM  32238  CB  THR T  99      85.059 204.418  69.752  1.00 18.17           C  
-ATOM  32239  OG1 THR T  99      85.077 204.769  71.151  1.00 16.84           O  
-ATOM  32240  CG2 THR T  99      86.326 203.562  69.515  1.00 16.71           C  
-ATOM  32241  N   PRO T 100      82.853 205.685  67.926  1.00 18.60           N  
-ATOM  32242  CA  PRO T 100      81.425 206.035  67.905  1.00 18.60           C  
-ATOM  32243  C   PRO T 100      80.789 205.985  69.278  1.00 18.92           C  
-ATOM  32244  O   PRO T 100      80.971 205.023  70.039  1.00 18.37           O  
-ATOM  32245  CB  PRO T 100      80.809 204.992  66.967  1.00 18.44           C  
-ATOM  32246  CG  PRO T 100      81.949 204.597  66.063  1.00 19.09           C  
-ATOM  32247  CD  PRO T 100      83.188 204.694  66.890  1.00 18.41           C  
-ATOM  32248  N   GLN T 101      80.002 207.007  69.594  1.00 19.21           N  
-ATOM  32249  CA  GLN T 101      79.481 207.149  70.962  1.00 19.70           C  
-ATOM  32250  C   GLN T 101      78.137 206.447  71.080  1.00 19.22           C  
-ATOM  32251  O   GLN T 101      77.078 207.070  71.155  1.00 19.07           O  
-ATOM  32252  CB  GLN T 101      79.428 208.626  71.378  1.00 20.11           C  
-ATOM  32253  CG  GLN T 101      80.854 209.218  71.635  1.00 23.83           C  
-ATOM  32254  CD  GLN T 101      80.879 210.751  71.827  1.00 29.07           C  
-ATOM  32255  OE1 GLN T 101      80.147 211.311  72.646  1.00 31.46           O  
-ATOM  32256  NE2 GLN T 101      81.763 211.419  71.085  1.00 29.37           N  
-ATOM  32257  N   LEU T 102      78.217 205.121  71.123  1.00 18.84           N  
-ATOM  32258  CA  LEU T 102      77.051 204.249  71.153  1.00 17.96           C  
-ATOM  32259  C   LEU T 102      77.223 203.301  72.330  1.00 17.63           C  
-ATOM  32260  O   LEU T 102      78.321 202.739  72.550  1.00 16.99           O  
-ATOM  32261  CB  LEU T 102      76.909 203.455  69.841  1.00 18.17           C  
-ATOM  32262  CG  LEU T 102      76.801 204.195  68.486  1.00 20.61           C  
-ATOM  32263  CD1 LEU T 102      76.748 203.231  67.306  1.00 21.57           C  
-ATOM  32264  CD2 LEU T 102      75.599 205.095  68.472  1.00 20.49           C  
-ATOM  32265  N   ALA T 103      76.145 203.134  73.087  1.00 16.18           N  
-ATOM  32266  CA  ALA T 103      76.100 202.100  74.099  1.00 16.81           C  
-ATOM  32267  C   ALA T 103      75.317 200.885  73.599  1.00 16.83           C  
-ATOM  32268  O   ALA T 103      74.424 200.996  72.746  1.00 17.22           O  
-ATOM  32269  CB  ALA T 103      75.462 202.616  75.402  1.00 16.05           C  
-ATOM  32270  N   ARG T 104      75.609 199.753  74.201  1.00 16.52           N  
-ATOM  32271  CA  ARG T 104      74.860 198.533  73.934  1.00 16.39           C  
-ATOM  32272  C   ARG T 104      73.849 198.293  75.055  1.00 16.14           C  
-ATOM  32273  O   ARG T 104      74.174 198.281  76.251  1.00 15.86           O  
-ATOM  32274  CB  ARG T 104      75.830 197.376  73.766  1.00 16.48           C  
-ATOM  32275  CG  ARG T 104      75.263 196.200  73.064  1.00 18.06           C  
-ATOM  32276  CD  ARG T 104      75.098 196.346  71.560  1.00 17.83           C  
-ATOM  32277  NE  ARG T 104      74.560 195.062  71.080  1.00 16.74           N  
-ATOM  32278  CZ  ARG T 104      74.019 194.861  69.888  1.00 17.59           C  
-ATOM  32279  NH1 ARG T 104      73.951 195.863  69.000  1.00 14.11           N  
-ATOM  32280  NH2 ARG T 104      73.550 193.647  69.578  1.00 14.86           N  
-ATOM  32281  N   VAL T 105      72.590 198.115  74.672  1.00 15.92           N  
-ATOM  32282  CA  VAL T 105      71.531 198.068  75.660  1.00 15.06           C  
-ATOM  32283  C   VAL T 105      70.843 196.716  75.525  1.00 15.20           C  
-ATOM  32284  O   VAL T 105      70.399 196.340  74.441  1.00 14.88           O  
-ATOM  32285  CB  VAL T 105      70.513 199.208  75.504  1.00 15.17           C  
-ATOM  32286  CG1 VAL T 105      69.386 199.043  76.512  1.00 14.45           C  
-ATOM  32287  CG2 VAL T 105      71.204 200.610  75.678  1.00 14.89           C  
-ATOM  32288  N   VAL T 106      70.745 195.999  76.638  1.00 14.78           N  
-ATOM  32289  CA  VAL T 106      70.108 194.644  76.624  1.00 15.08           C  
-ATOM  32290  C   VAL T 106      68.664 194.832  77.072  1.00 14.85           C  
-ATOM  32291  O   VAL T 106      68.365 195.767  77.806  1.00 14.08           O  
-ATOM  32292  CB  VAL T 106      70.874 193.636  77.553  1.00 15.06           C  
-ATOM  32293  CG1 VAL T 106      70.311 192.166  77.455  1.00 14.09           C  
-ATOM  32294  CG2 VAL T 106      72.363 193.657  77.234  1.00 15.25           C  
-ATOM  32295  N   SER T 107      67.771 193.950  76.630  1.00 15.29           N  
-ATOM  32296  CA  SER T 107      66.325 194.100  76.927  1.00 15.82           C  
-ATOM  32297  C   SER T 107      65.912 194.072  78.418  1.00 16.18           C  
-ATOM  32298  O   SER T 107      64.804 194.466  78.747  1.00 15.57           O  
-ATOM  32299  CB  SER T 107      65.525 193.045  76.189  1.00 15.42           C  
-ATOM  32300  OG  SER T 107      65.709 191.788  76.750  1.00 15.47           O  
-ATOM  32301  N   ASP T 108      66.775 193.577  79.295  1.00 16.89           N  
-ATOM  32302  CA  ASP T 108      66.527 193.703  80.738  1.00 18.38           C  
-ATOM  32303  C   ASP T 108      66.993 195.073  81.326  1.00 18.03           C  
-ATOM  32304  O   ASP T 108      66.886 195.304  82.526  1.00 18.21           O  
-ATOM  32305  CB  ASP T 108      67.147 192.523  81.521  1.00 18.41           C  
-ATOM  32306  CG  ASP T 108      68.663 192.463  81.385  1.00 21.48           C  
-ATOM  32307  OD1 ASP T 108      69.264 193.418  80.816  1.00 23.43           O  
-ATOM  32308  OD2 ASP T 108      69.353 191.511  81.813  1.00 24.65           O  
-ATOM  32309  N   GLY T 109      67.530 195.957  80.488  1.00 18.11           N  
-ATOM  32310  CA  GLY T 109      68.011 197.245  80.953  1.00 17.67           C  
-ATOM  32311  C   GLY T 109      69.507 197.335  81.236  1.00 18.15           C  
-ATOM  32312  O   GLY T 109      69.968 198.419  81.670  1.00 18.30           O  
-ATOM  32313  N   GLU T 110      70.272 196.253  81.004  1.00 17.65           N  
-ATOM  32314  CA  GLU T 110      71.730 196.319  81.204  1.00 18.62           C  
-ATOM  32315  C   GLU T 110      72.352 197.128  80.094  1.00 17.85           C  
-ATOM  32316  O   GLU T 110      72.004 196.946  78.911  1.00 17.20           O  
-ATOM  32317  CB  GLU T 110      72.410 194.931  81.252  1.00 19.17           C  
-ATOM  32318  CG  GLU T 110      72.069 194.073  82.471  1.00 24.46           C  
-ATOM  32319  CD  GLU T 110      72.440 194.735  83.784  1.00 30.84           C  
-ATOM  32320  OE1 GLU T 110      73.610 195.165  83.956  1.00 33.32           O  
-ATOM  32321  OE2 GLU T 110      71.547 194.840  84.641  1.00 34.09           O  
-ATOM  32322  N   VAL T 111      73.239 198.039  80.482  1.00 17.12           N  
-ATOM  32323  CA  VAL T 111      73.918 198.888  79.518  1.00 16.45           C  
-ATOM  32324  C   VAL T 111      75.416 198.590  79.560  1.00 16.41           C  
-ATOM  32325  O   VAL T 111      75.973 198.429  80.633  1.00 15.44           O  
-ATOM  32326  CB  VAL T 111      73.663 200.363  79.779  1.00 16.24           C  
-ATOM  32327  CG1 VAL T 111      74.222 201.212  78.626  1.00 15.89           C  
-ATOM  32328  CG2 VAL T 111      72.171 200.650  80.003  1.00 14.82           C  
-ATOM  32329  N   LEU T 112      76.040 198.518  78.387  1.00 16.31           N  
-ATOM  32330  CA  LEU T 112      77.493 198.521  78.271  1.00 17.00           C  
-ATOM  32331  C   LEU T 112      77.937 199.702  77.392  1.00 16.97           C  
-ATOM  32332  O   LEU T 112      77.572 199.771  76.208  1.00 16.16           O  
-ATOM  32333  CB  LEU T 112      78.008 197.209  77.641  1.00 16.82           C  
-ATOM  32334  CG  LEU T 112      79.463 197.138  77.141  1.00 18.88           C  
-ATOM  32335  CD1 LEU T 112      80.425 197.266  78.301  1.00 17.12           C  
-ATOM  32336  CD2 LEU T 112      79.782 195.800  76.398  1.00 20.28           C  
-ATOM  32337  N   TYR T 113      78.723 200.602  77.960  1.00 17.06           N  
-ATOM  32338  CA  TYR T 113      79.303 201.685  77.187  1.00 17.78           C  
-ATOM  32339  C   TYR T 113      80.800 201.556  77.324  1.00 17.64           C  
-ATOM  32340  O   TYR T 113      81.299 201.562  78.439  1.00 17.56           O  
-ATOM  32341  CB  TYR T 113      78.808 203.049  77.677  1.00 17.92           C  
-ATOM  32342  CG  TYR T 113      79.412 204.217  76.930  1.00 19.16           C  
-ATOM  32343  CD1 TYR T 113      79.451 204.247  75.539  1.00 20.38           C  
-ATOM  32344  CD2 TYR T 113      79.933 205.321  77.617  1.00 20.73           C  
-ATOM  32345  CE1 TYR T 113      80.021 205.343  74.823  1.00 21.63           C  
-ATOM  32346  CE2 TYR T 113      80.489 206.433  76.907  1.00 19.89           C  
-ATOM  32347  CZ  TYR T 113      80.539 206.410  75.524  1.00 22.70           C  
-ATOM  32348  OH  TYR T 113      81.119 207.509  74.865  1.00 27.05           O  
-ATOM  32349  N   MET T 114      81.498 201.407  76.202  1.00 17.17           N  
-ATOM  32350  CA  MET T 114      82.943 201.163  76.217  1.00 17.80           C  
-ATOM  32351  C   MET T 114      83.661 201.987  75.145  1.00 17.35           C  
-ATOM  32352  O   MET T 114      84.067 201.422  74.096  1.00 17.03           O  
-ATOM  32353  CB  MET T 114      83.213 199.675  75.940  1.00 18.13           C  
-ATOM  32354  CG  MET T 114      84.653 199.215  76.220  1.00 20.86           C  
-ATOM  32355  SD  MET T 114      84.805 197.392  76.529  1.00 27.75           S  
-ATOM  32356  CE  MET T 114      83.274 196.848  76.277  1.00 26.97           C  
-ATOM  32357  N   PRO T 115      83.819 203.284  75.393  1.00 16.80           N  
-ATOM  32358  CA  PRO T 115      84.559 204.168  74.484  1.00 16.84           C  
-ATOM  32359  C   PRO T 115      86.070 203.924  74.556  1.00 16.84           C  
-ATOM  32360  O   PRO T 115      86.566 203.523  75.589  1.00 17.12           O  
-ATOM  32361  CB  PRO T 115      84.236 205.555  75.022  1.00 16.69           C  
-ATOM  32362  CG  PRO T 115      84.005 205.359  76.461  1.00 16.32           C  
-ATOM  32363  CD  PRO T 115      83.325 204.020  76.574  1.00 17.09           C  
-ATOM  32364  N   SER T 116      86.775 204.087  73.452  1.00 16.83           N  
-ATOM  32365  CA  SER T 116      88.233 204.164  73.496  1.00 17.12           C  
-ATOM  32366  C   SER T 116      88.548 205.638  73.756  1.00 17.02           C  
-ATOM  32367  O   SER T 116      87.991 206.516  73.108  1.00 16.44           O  
-ATOM  32368  CB  SER T 116      88.846 203.722  72.175  1.00 17.05           C  
-ATOM  32369  OG  SER T 116      90.247 203.875  72.193  1.00 18.65           O  
-ATOM  32370  N   ILE T 117      89.417 205.879  74.731  1.00 17.67           N  
-ATOM  32371  CA  ILE T 117      89.700 207.209  75.231  1.00 17.80           C  
-ATOM  32372  C   ILE T 117      91.202 207.417  75.205  1.00 17.95           C  
-ATOM  32373  O   ILE T 117      91.973 206.522  75.603  1.00 18.12           O  
-ATOM  32374  CB  ILE T 117      89.142 207.384  76.639  1.00 18.12           C  
-ATOM  32375  CG1 ILE T 117      87.603 207.453  76.580  1.00 20.05           C  
-ATOM  32376  CG2 ILE T 117      89.706 208.668  77.294  1.00 17.93           C  
-ATOM  32377  CD1 ILE T 117      86.927 207.728  77.944  1.00 21.07           C  
-ATOM  32378  N   ARG T 118      91.619 208.554  74.650  1.00 18.12           N  
-ATOM  32379  CA  ARG T 118      92.984 209.035  74.813  1.00 17.93           C  
-ATOM  32380  C   ARG T 118      92.929 210.171  75.814  1.00 17.40           C  
-ATOM  32381  O   ARG T 118      92.084 211.025  75.701  1.00 17.40           O  
-ATOM  32382  CB  ARG T 118      93.546 209.512  73.498  1.00 18.09           C  
-ATOM  32383  CG  ARG T 118      94.988 209.925  73.631  1.00 19.86           C  
-ATOM  32384  CD  ARG T 118      95.620 210.473  72.355  1.00 23.00           C  
-ATOM  32385  NE  ARG T 118      97.033 210.779  72.585  1.00 26.28           N  
-ATOM  32386  CZ  ARG T 118      97.964 210.831  71.633  1.00 27.87           C  
-ATOM  32387  NH1 ARG T 118      97.646 210.579  70.370  1.00 27.79           N  
-ATOM  32388  NH2 ARG T 118      99.225 211.136  71.948  1.00 27.48           N  
-ATOM  32389  N   GLN T 119      93.805 210.134  76.808  1.00 17.19           N  
-ATOM  32390  CA  GLN T 119      93.793 211.137  77.869  1.00 17.25           C  
-ATOM  32391  C   GLN T 119      95.171 211.188  78.536  1.00 16.87           C  
-ATOM  32392  O   GLN T 119      95.902 210.188  78.549  1.00 16.85           O  
-ATOM  32393  CB  GLN T 119      92.658 210.835  78.885  1.00 17.22           C  
-ATOM  32394  CG  GLN T 119      92.432 211.904  79.903  1.00 17.73           C  
-ATOM  32395  CD  GLN T 119      91.112 211.804  80.582  1.00 18.35           C  
-ATOM  32396  OE1 GLN T 119      90.610 210.728  80.802  1.00 20.35           O  
-ATOM  32397  NE2 GLN T 119      90.521 212.952  80.879  1.00 18.12           N  
-ATOM  32398  N   ARG T 120      95.503 212.362  79.070  1.00 16.86           N  
-ATOM  32399  CA  ARG T 120      96.745 212.591  79.790  1.00 15.84           C  
-ATOM  32400  C   ARG T 120      96.506 212.682  81.283  1.00 14.31           C  
-ATOM  32401  O   ARG T 120      95.488 213.160  81.719  1.00 13.89           O  
-ATOM  32402  CB  ARG T 120      97.430 213.848  79.282  1.00 16.13           C  
-ATOM  32403  CG  ARG T 120      97.917 213.743  77.852  1.00 18.82           C  
-ATOM  32404  CD  ARG T 120      98.881 214.867  77.399  1.00 23.41           C  
-ATOM  32405  NE  ARG T 120      99.709 215.413  78.490  1.00 26.01           N  
-ATOM  32406  CZ  ARG T 120     101.045 215.276  78.585  1.00 30.95           C  
-ATOM  32407  NH1 ARG T 120     101.740 214.568  77.686  1.00 33.08           N  
-ATOM  32408  NH2 ARG T 120     101.700 215.862  79.581  1.00 30.70           N  
-ATOM  32409  N   PHE T 121      97.472 212.209  82.058  1.00 13.96           N  
-ATOM  32410  CA  PHE T 121      97.340 212.045  83.505  1.00 13.55           C  
-ATOM  32411  C   PHE T 121      98.627 212.469  84.147  1.00 14.13           C  
-ATOM  32412  O   PHE T 121      99.719 212.320  83.572  1.00 13.32           O  
-ATOM  32413  CB  PHE T 121      97.055 210.589  83.918  1.00 12.38           C  
-ATOM  32414  CG  PHE T 121      95.820 210.016  83.302  1.00 14.61           C  
-ATOM  32415  CD1 PHE T 121      94.577 210.221  83.891  1.00 16.14           C  
-ATOM  32416  CD2 PHE T 121      95.886 209.288  82.113  1.00 16.09           C  
-ATOM  32417  CE1 PHE T 121      93.427 209.683  83.330  1.00 16.57           C  
-ATOM  32418  CE2 PHE T 121      94.713 208.728  81.516  1.00 15.71           C  
-ATOM  32419  CZ  PHE T 121      93.474 208.944  82.121  1.00 13.36           C  
-ATOM  32420  N   SER T 122      98.456 213.017  85.334  1.00 15.49           N  
-ATOM  32421  CA  SER T 122      99.523 213.323  86.249  1.00 16.47           C  
-ATOM  32422  C   SER T 122      99.627 212.156  87.215  1.00 16.82           C  
-ATOM  32423  O   SER T 122      98.670 211.860  87.912  1.00 16.39           O  
-ATOM  32424  CB  SER T 122      99.131 214.562  87.039  1.00 15.74           C  
-ATOM  32425  OG  SER T 122      99.962 214.677  88.164  1.00 16.41           O  
-ATOM  32426  N   CYS T 123     100.779 211.517  87.256  1.00 17.70           N  
-ATOM  32427  CA  CYS T 123     100.980 210.367  88.118  1.00 20.00           C  
-ATOM  32428  C   CYS T 123     102.456 210.037  88.256  1.00 19.76           C  
-ATOM  32429  O   CYS T 123     103.298 210.659  87.632  1.00 19.59           O  
-ATOM  32430  CB  CYS T 123     100.161 209.140  87.648  1.00 20.87           C  
-ATOM  32431  SG  CYS T 123     100.489 208.585  85.984  1.00 26.23           S  
-ATOM  32432  N   ASP T 124     102.766 209.069  89.109  1.00 20.02           N  
-ATOM  32433  CA  ASP T 124     104.151 208.689  89.391  1.00 19.76           C  
-ATOM  32434  C   ASP T 124     104.774 207.926  88.222  1.00 19.60           C  
-ATOM  32435  O   ASP T 124     104.418 206.771  87.970  1.00 19.60           O  
-ATOM  32436  CB  ASP T 124     104.161 207.827  90.632  1.00 19.61           C  
-ATOM  32437  CG  ASP T 124     105.532 207.700  91.259  1.00 20.47           C  
-ATOM  32438  OD1 ASP T 124     106.537 208.261  90.737  1.00 19.78           O  
-ATOM  32439  OD2 ASP T 124     105.675 207.050  92.315  1.00 21.35           O  
-ATOM  32440  N   VAL T 125     105.688 208.585  87.510  1.00 19.26           N  
-ATOM  32441  CA  VAL T 125     106.375 207.995  86.351  1.00 18.89           C  
-ATOM  32442  C   VAL T 125     107.775 207.466  86.747  1.00 18.70           C  
-ATOM  32443  O   VAL T 125     108.488 206.864  85.948  1.00 18.19           O  
-ATOM  32444  CB  VAL T 125     106.416 208.990  85.145  1.00 19.16           C  
-ATOM  32445  CG1 VAL T 125     107.202 208.444  83.977  1.00 18.99           C  
-ATOM  32446  CG2 VAL T 125     104.992 209.347  84.680  1.00 18.67           C  
-ATOM  32447  N   SER T 126     108.159 207.678  88.004  1.00 18.64           N  
-ATOM  32448  CA  SER T 126     109.490 207.258  88.441  1.00 18.71           C  
-ATOM  32449  C   SER T 126     109.663 205.741  88.303  1.00 18.33           C  
-ATOM  32450  O   SER T 126     108.731 204.956  88.574  1.00 17.74           O  
-ATOM  32451  CB  SER T 126     109.813 207.748  89.860  1.00 18.43           C  
-ATOM  32452  OG  SER T 126     109.036 207.070  90.806  1.00 18.90           O  
-ATOM  32453  N   GLY T 127     110.852 205.351  87.852  1.00 17.95           N  
-ATOM  32454  CA  GLY T 127     111.181 203.946  87.644  1.00 17.73           C  
-ATOM  32455  C   GLY T 127     110.724 203.338  86.313  1.00 17.44           C  
-ATOM  32456  O   GLY T 127     110.953 202.154  86.067  1.00 17.16           O  
-ATOM  32457  N   VAL T 128     110.126 204.143  85.444  1.00 16.82           N  
-ATOM  32458  CA  VAL T 128     109.625 203.655  84.158  1.00 17.26           C  
-ATOM  32459  C   VAL T 128     110.677 202.913  83.295  1.00 17.57           C  
-ATOM  32460  O   VAL T 128     110.336 202.007  82.525  1.00 17.56           O  
-ATOM  32461  CB  VAL T 128     108.954 204.781  83.333  1.00 17.02           C  
-ATOM  32462  CG1 VAL T 128     109.972 205.783  82.823  1.00 16.90           C  
-ATOM  32463  CG2 VAL T 128     108.177 204.198  82.168  1.00 17.49           C  
-ATOM  32464  N   ASP T 129     111.940 203.313  83.434  1.00 18.13           N  
-ATOM  32465  CA  ASP T 129     113.058 202.777  82.692  1.00 18.98           C  
-ATOM  32466  C   ASP T 129     113.863 201.767  83.542  1.00 18.49           C  
-ATOM  32467  O   ASP T 129     114.940 201.389  83.158  1.00 18.03           O  
-ATOM  32468  CB  ASP T 129     113.979 203.934  82.341  1.00 19.89           C  
-ATOM  32469  CG  ASP T 129     114.651 204.516  83.582  1.00 24.82           C  
-ATOM  32470  OD1 ASP T 129     113.911 204.928  84.535  1.00 26.09           O  
-ATOM  32471  OD2 ASP T 129     115.911 204.549  83.724  1.00 29.65           O  
-ATOM  32472  N   THR T 130     113.358 201.386  84.713  1.00 18.18           N  
-ATOM  32473  CA  THR T 130     113.895 200.250  85.446  1.00 18.23           C  
-ATOM  32474  C   THR T 130     113.039 199.012  85.173  1.00 18.43           C  
-ATOM  32475  O   THR T 130     111.963 199.106  84.578  1.00 18.49           O  
-ATOM  32476  CB  THR T 130     113.912 200.508  86.958  1.00 18.45           C  
-ATOM  32477  OG1 THR T 130     112.569 200.505  87.445  1.00 18.33           O  
-ATOM  32478  CG2 THR T 130     114.457 201.928  87.333  1.00 18.51           C  
-ATOM  32479  N   GLU T 131     113.521 197.873  85.651  1.00 18.20           N  
-ATOM  32480  CA  GLU T 131     112.885 196.561  85.525  1.00 18.60           C  
-ATOM  32481  C   GLU T 131     111.560 196.458  86.265  1.00 17.90           C  
-ATOM  32482  O   GLU T 131     110.612 195.867  85.752  1.00 16.85           O  
-ATOM  32483  CB  GLU T 131     113.865 195.492  86.068  1.00 19.19           C  
-ATOM  32484  CG  GLU T 131     113.552 194.039  85.733  1.00 21.83           C  
-ATOM  32485  CD  GLU T 131     114.800 193.235  85.413  1.00 25.32           C  
-ATOM  32486  OE1 GLU T 131     115.241 193.261  84.243  1.00 28.65           O  
-ATOM  32487  OE2 GLU T 131     115.352 192.575  86.320  1.00 26.50           O  
-ATOM  32488  N   SER T 132     111.524 197.015  87.481  1.00 18.43           N  
-ATOM  32489  CA  SER T 132     110.349 197.019  88.347  1.00 18.90           C  
-ATOM  32490  C   SER T 132     109.299 197.955  87.788  1.00 18.83           C  
-ATOM  32491  O   SER T 132     108.100 197.843  88.126  1.00 19.16           O  
-ATOM  32492  CB  SER T 132     110.747 197.500  89.737  1.00 19.60           C  
-ATOM  32493  OG  SER T 132     110.095 198.744  90.016  1.00 22.25           O  
-ATOM  32494  N   GLY T 133     109.750 198.889  86.943  1.00 18.51           N  
-ATOM  32495  CA  GLY T 133     108.873 199.812  86.241  1.00 17.96           C  
-ATOM  32496  C   GLY T 133     108.248 200.913  87.095  1.00 18.20           C  
-ATOM  32497  O   GLY T 133     108.528 201.039  88.289  1.00 17.22           O  
-ATOM  32498  N   ALA T 134     107.394 201.718  86.459  1.00 18.25           N  
-ATOM  32499  CA  ALA T 134     106.639 202.756  87.138  1.00 18.82           C  
-ATOM  32500  C   ALA T 134     105.241 202.260  87.485  1.00 19.43           C  
-ATOM  32501  O   ALA T 134     104.764 201.273  86.909  1.00 19.07           O  
-ATOM  32502  CB  ALA T 134     106.557 204.001  86.279  1.00 18.66           C  
-ATOM  32503  N   THR T 135     104.606 202.928  88.449  1.00 19.92           N  
-ATOM  32504  CA  THR T 135     103.220 202.625  88.775  1.00 20.78           C  
-ATOM  32505  C   THR T 135     102.404 203.885  88.772  1.00 21.52           C  
-ATOM  32506  O   THR T 135     102.544 204.733  89.679  1.00 21.52           O  
-ATOM  32507  CB  THR T 135     103.087 201.933  90.125  1.00 20.64           C  
-ATOM  32508  OG1 THR T 135     103.821 200.696  90.090  1.00 19.98           O  
-ATOM  32509  CG2 THR T 135     101.597 201.521  90.358  1.00 18.27           C  
-ATOM  32510  N   CYS T 136     101.560 203.978  87.754  1.00 21.63           N  
-ATOM  32511  CA  CYS T 136     100.741 205.141  87.505  1.00 22.86           C  
-ATOM  32512  C   CYS T 136      99.318 204.819  87.995  1.00 22.44           C  
-ATOM  32513  O   CYS T 136      98.683 203.870  87.526  1.00 22.29           O  
-ATOM  32514  CB  CYS T 136     100.762 205.469  86.011  1.00 21.88           C  
-ATOM  32515  SG  CYS T 136      99.597 206.757  85.521  1.00 29.02           S  
-ATOM  32516  N   ARG T 137      98.827 205.616  88.942  1.00 22.14           N  
-ATOM  32517  CA  ARG T 137      97.499 205.412  89.517  1.00 21.69           C  
-ATOM  32518  C   ARG T 137      96.497 206.315  88.830  1.00 20.93           C  
-ATOM  32519  O   ARG T 137      96.688 207.537  88.777  1.00 20.55           O  
-ATOM  32520  CB  ARG T 137      97.531 205.705  91.020  1.00 21.88           C  
-ATOM  32521  CG  ARG T 137      96.840 204.684  91.865  1.00 25.47           C  
-ATOM  32522  CD  ARG T 137      97.569 204.280  93.209  1.00 32.93           C  
-ATOM  32523  NE  ARG T 137      98.866 203.577  93.063  1.00 35.79           N  
-ATOM  32524  CZ  ARG T 137      99.357 202.675  93.940  1.00 38.62           C  
-ATOM  32525  NH1 ARG T 137      98.662 202.324  95.031  1.00 39.52           N  
-ATOM  32526  NH2 ARG T 137     100.542 202.110  93.724  1.00 36.95           N  
-ATOM  32527  N   ILE T 138      95.414 205.741  88.298  1.00 19.75           N  
-ATOM  32528  CA  ILE T 138      94.334 206.584  87.766  1.00 18.60           C  
-ATOM  32529  C   ILE T 138      93.114 206.414  88.649  1.00 18.41           C  
-ATOM  32530  O   ILE T 138      92.726 205.284  88.960  1.00 18.15           O  
-ATOM  32531  CB  ILE T 138      94.021 206.264  86.274  1.00 17.98           C  
-ATOM  32532  CG1 ILE T 138      95.231 206.654  85.405  1.00 17.48           C  
-ATOM  32533  CG2 ILE T 138      92.737 206.986  85.812  1.00 16.78           C  
-ATOM  32534  CD1 ILE T 138      95.204 206.178  83.970  1.00 18.26           C  
-ATOM  32535  N   LYS T 139      92.541 207.534  89.076  1.00 17.50           N  
-ATOM  32536  CA  LYS T 139      91.421 207.550  90.000  1.00 17.10           C  
-ATOM  32537  C   LYS T 139      90.134 207.958  89.255  1.00 17.05           C  
-ATOM  32538  O   LYS T 139      90.050 209.083  88.729  1.00 17.36           O  
-ATOM  32539  CB  LYS T 139      91.736 208.549  91.136  1.00 16.67           C  
-ATOM  32540  CG  LYS T 139      90.767 208.544  92.310  1.00 16.71           C  
-ATOM  32541  CD  LYS T 139      91.186 209.599  93.385  1.00 20.99           C  
-ATOM  32542  CE  LYS T 139      89.980 210.439  93.862  1.00 20.69           C  
-ATOM  32543  NZ  LYS T 139      90.278 211.210  95.121  1.00 24.98           N  
-ATOM  32544  N   ILE T 140      89.133 207.083  89.241  1.00 16.38           N  
-ATOM  32545  CA  ILE T 140      87.894 207.367  88.517  1.00 16.79           C  
-ATOM  32546  C   ILE T 140      86.716 207.246  89.429  1.00 16.30           C  
-ATOM  32547  O   ILE T 140      86.596 206.217  90.166  1.00 15.81           O  
-ATOM  32548  CB  ILE T 140      87.711 206.387  87.323  1.00 17.85           C  
-ATOM  32549  CG1 ILE T 140      88.855 206.577  86.313  1.00 19.09           C  
-ATOM  32550  CG2 ILE T 140      86.417 206.684  86.562  1.00 18.05           C  
-ATOM  32551  CD1 ILE T 140      89.095 205.293  85.532  1.00 26.24           C  
-ATOM  32552  N   GLY T 141      85.842 208.248  89.394  1.00 14.89           N  
-ATOM  32553  CA  GLY T 141      84.604 208.211  90.172  1.00 14.77           C  
-ATOM  32554  C   GLY T 141      83.549 209.146  89.616  1.00 14.89           C  
-ATOM  32555  O   GLY T 141      83.831 209.879  88.649  1.00 14.75           O  
-ATOM  32556  N   SER T 142      82.332 209.101  90.168  1.00 14.07           N  
-ATOM  32557  CA  SER T 142      81.322 210.037  89.710  1.00 13.67           C  
-ATOM  32558  C   SER T 142      81.718 211.412  90.208  1.00 13.40           C  
-ATOM  32559  O   SER T 142      82.119 211.575  91.356  1.00 13.29           O  
-ATOM  32560  CB  SER T 142      79.935 209.685  90.228  1.00 14.24           C  
-ATOM  32561  OG  SER T 142      79.153 210.882  90.334  1.00 14.49           O  
-ATOM  32562  N   TRP T 143      81.599 212.401  89.348  1.00 12.54           N  
-ATOM  32563  CA  TRP T 143      81.975 213.740  89.710  1.00 12.18           C  
-ATOM  32564  C   TRP T 143      80.960 214.444  90.644  1.00 12.16           C  
-ATOM  32565  O   TRP T 143      81.366 215.223  91.504  1.00 12.13           O  
-ATOM  32566  CB  TRP T 143      82.310 214.547  88.423  1.00 12.98           C  
-ATOM  32567  CG  TRP T 143      82.911 215.910  88.649  1.00 12.60           C  
-ATOM  32568  CD1 TRP T 143      82.295 217.105  88.462  1.00 14.38           C  
-ATOM  32569  CD2 TRP T 143      84.250 216.211  89.054  1.00 11.78           C  
-ATOM  32570  NE1 TRP T 143      83.150 218.136  88.763  1.00 14.79           N  
-ATOM  32571  CE2 TRP T 143      84.365 217.616  89.112  1.00 11.99           C  
-ATOM  32572  CE3 TRP T 143      85.373 215.436  89.366  1.00 11.98           C  
-ATOM  32573  CZ2 TRP T 143      85.545 218.268  89.478  1.00 12.92           C  
-ATOM  32574  CZ3 TRP T 143      86.561 216.091  89.759  1.00 11.44           C  
-ATOM  32575  CH2 TRP T 143      86.624 217.490  89.809  1.00 15.63           C  
-ATOM  32576  N   THR T 144      79.658 214.135  90.517  1.00 11.79           N  
-ATOM  32577  CA  THR T 144      78.641 214.799  91.323  1.00 11.25           C  
-ATOM  32578  C   THR T 144      77.708 213.914  92.111  1.00 11.09           C  
-ATOM  32579  O   THR T 144      76.864 214.409  92.819  1.00 11.29           O  
-ATOM  32580  CB  THR T 144      77.750 215.711  90.427  1.00 11.89           C  
-ATOM  32581  OG1 THR T 144      76.865 214.899  89.613  1.00  9.00           O  
-ATOM  32582  CG2 THR T 144      78.615 216.422  89.443  1.00 10.72           C  
-ATOM  32583  N   HIS T 145      77.800 212.617  91.949  1.00 11.42           N  
-ATOM  32584  CA  HIS T 145      76.938 211.731  92.717  1.00 10.87           C  
-ATOM  32585  C   HIS T 145      77.703 211.077  93.821  1.00 10.83           C  
-ATOM  32586  O   HIS T 145      78.692 210.390  93.547  1.00 11.82           O  
-ATOM  32587  CB  HIS T 145      76.335 210.691  91.794  1.00 10.25           C  
-ATOM  32588  CG  HIS T 145      75.345 211.263  90.852  1.00  8.78           C  
-ATOM  32589  ND1 HIS T 145      75.682 211.633  89.567  1.00  8.96           N  
-ATOM  32590  CD2 HIS T 145      74.036 211.589  91.019  1.00  2.68           C  
-ATOM  32591  CE1 HIS T 145      74.612 212.112  88.953  1.00  5.35           C  
-ATOM  32592  NE2 HIS T 145      73.602 212.102  89.814  1.00  9.84           N  
-ATOM  32593  N   HIS T 146      77.240 211.254  95.053  1.00 10.50           N  
-ATOM  32594  CA  HIS T 146      77.832 210.586  96.206  1.00 11.08           C  
-ATOM  32595  C   HIS T 146      77.410 209.121  96.332  1.00 11.36           C  
-ATOM  32596  O   HIS T 146      76.709 208.604  95.478  1.00 11.68           O  
-ATOM  32597  CB  HIS T 146      77.592 211.359  97.513  1.00  9.66           C  
-ATOM  32598  CG  HIS T 146      76.153 211.616  97.826  1.00  9.03           C  
-ATOM  32599  ND1 HIS T 146      75.586 212.872  97.742  1.00 10.89           N  
-ATOM  32600  CD2 HIS T 146      75.171 210.794  98.259  1.00  9.76           C  
-ATOM  32601  CE1 HIS T 146      74.318 212.812  98.109  1.00  9.45           C  
-ATOM  32602  NE2 HIS T 146      74.038 211.556  98.410  1.00 13.02           N  
-ATOM  32603  N   SER T 147      77.819 208.505  97.427  1.00 11.56           N  
-ATOM  32604  CA  SER T 147      77.800 207.057  97.601  1.00 12.04           C  
-ATOM  32605  C   SER T 147      76.383 206.481  97.698  1.00 11.90           C  
-ATOM  32606  O   SER T 147      76.155 205.352  97.358  1.00 12.55           O  
-ATOM  32607  CB  SER T 147      78.711 206.677  98.785  1.00 11.10           C  
-ATOM  32608  OG  SER T 147      78.228 207.174 100.030  1.00 11.28           O  
-ATOM  32609  N   ARG T 148      75.424 207.300  98.079  1.00 12.43           N  
-ATOM  32610  CA  ARG T 148      74.021 206.870  98.114  1.00 12.94           C  
-ATOM  32611  C   ARG T 148      73.377 206.874  96.739  1.00 12.60           C  
-ATOM  32612  O   ARG T 148      72.279 206.344  96.557  1.00 12.81           O  
-ATOM  32613  CB  ARG T 148      73.224 207.740  99.097  1.00 12.91           C  
-ATOM  32614  CG  ARG T 148      73.737 207.670 100.515  1.00 15.86           C  
-ATOM  32615  CD  ARG T 148      72.891 208.443 101.567  1.00 22.89           C  
-ATOM  32616  NE  ARG T 148      72.909 209.909 101.386  1.00 25.47           N  
-ATOM  32617  CZ  ARG T 148      71.836 210.685 101.123  1.00 25.42           C  
-ATOM  32618  NH1 ARG T 148      70.598 210.175 100.991  1.00 21.25           N  
-ATOM  32619  NH2 ARG T 148      72.011 211.994 101.002  1.00 22.57           N  
-ATOM  32620  N   GLU T 149      74.076 207.459  95.769  1.00 12.28           N  
-ATOM  32621  CA  GLU T 149      73.506 207.630  94.443  1.00 12.72           C  
-ATOM  32622  C   GLU T 149      74.229 206.804  93.412  1.00 12.42           C  
-ATOM  32623  O   GLU T 149      73.612 206.255  92.525  1.00 12.35           O  
-ATOM  32624  CB  GLU T 149      73.492 209.129  94.069  1.00 12.74           C  
-ATOM  32625  CG  GLU T 149      72.470 209.937  94.879  1.00 14.02           C  
-ATOM  32626  CD  GLU T 149      72.544 211.477  94.675  1.00 16.64           C  
-ATOM  32627  OE1 GLU T 149      73.255 211.961  93.781  1.00 14.35           O  
-ATOM  32628  OE2 GLU T 149      71.866 212.214  95.428  1.00 17.49           O  
-ATOM  32629  N   ILE T 150      75.549 206.763  93.504  1.00 12.83           N  
-ATOM  32630  CA  ILE T 150      76.371 205.935  92.590  1.00 13.63           C  
-ATOM  32631  C   ILE T 150      77.439 205.197  93.398  1.00 14.81           C  
-ATOM  32632  O   ILE T 150      78.186 205.813  94.135  1.00 14.63           O  
-ATOM  32633  CB  ILE T 150      77.055 206.795  91.502  1.00 13.98           C  
-ATOM  32634  CG1 ILE T 150      76.012 207.363  90.536  1.00 14.49           C  
-ATOM  32635  CG2 ILE T 150      78.081 205.956  90.710  1.00 14.10           C  
-ATOM  32636  CD1 ILE T 150      76.551 207.835  89.164  1.00 11.84           C  
-ATOM  32637  N   SER T 151      77.496 203.879  93.274  1.00 15.53           N  
-ATOM  32638  CA  SER T 151      78.665 203.154  93.712  1.00 17.31           C  
-ATOM  32639  C   SER T 151      79.489 202.727  92.473  1.00 19.07           C  
-ATOM  32640  O   SER T 151      78.934 202.447  91.388  1.00 18.85           O  
-ATOM  32641  CB  SER T 151      78.256 201.960  94.568  1.00 17.02           C  
-ATOM  32642  OG  SER T 151      77.467 201.117  93.770  1.00 16.40           O  
-ATOM  32643  N   VAL T 152      80.811 202.744  92.612  1.00 20.44           N  
-ATOM  32644  CA  VAL T 152      81.692 202.306  91.550  1.00 22.25           C  
-ATOM  32645  C   VAL T 152      82.467 201.100  92.075  1.00 23.89           C  
-ATOM  32646  O   VAL T 152      82.990 201.125  93.175  1.00 23.79           O  
-ATOM  32647  CB  VAL T 152      82.649 203.422  91.058  1.00 21.93           C  
-ATOM  32648  CG1 VAL T 152      81.932 204.407  90.162  1.00 21.27           C  
-ATOM  32649  CG2 VAL T 152      83.245 204.173  92.236  1.00 23.08           C  
-ATOM  32650  N   ASP T 153      82.484 200.035  91.286  1.00 23.41           N  
-ATOM  32651  CA  ASP T 153      83.244 198.828  91.579  1.00 24.49           C  
-ATOM  32652  C   ASP T 153      83.990 198.416  90.319  1.00 24.39           C  
-ATOM  32653  O   ASP T 153      83.561 198.721  89.228  1.00 22.39           O  
-ATOM  32654  CB  ASP T 153      82.328 197.673  92.051  1.00 23.44           C  
-ATOM  32655  CG  ASP T 153      81.900 197.827  93.515  1.00 26.93           C  
-ATOM  32656  OD1 ASP T 153      80.951 198.608  93.780  1.00 29.62           O  
-ATOM  32657  OD2 ASP T 153      82.420 197.195  94.486  1.00 29.64           O  
-ATOM  32658  N   PRO T 154      85.111 197.714  90.469  1.00 25.50           N  
-ATOM  32659  CA  PRO T 154      85.784 197.194  89.287  1.00 26.87           C  
-ATOM  32660  C   PRO T 154      84.958 196.019  88.754  1.00 28.86           C  
-ATOM  32661  O   PRO T 154      84.214 195.428  89.543  1.00 28.93           O  
-ATOM  32662  CB  PRO T 154      87.157 196.778  89.808  1.00 26.38           C  
-ATOM  32663  CG  PRO T 154      86.994 196.598  91.271  1.00 26.59           C  
-ATOM  32664  CD  PRO T 154      85.801 197.385  91.726  1.00 24.32           C  
-ATOM  32665  N   THR T 155      85.040 195.761  87.444  1.00 31.26           N  
-ATOM  32666  CA  THR T 155      84.456 194.598  86.760  1.00 34.29           C  
-ATOM  32667  C   THR T 155      85.094 193.305  87.304  1.00 36.25           C  
-ATOM  32668  O   THR T 155      86.311 193.128  87.186  1.00 36.57           O  
-ATOM  32669  CB  THR T 155      84.735 194.747  85.213  1.00 34.16           C  
-ATOM  32670  OG1 THR T 155      84.286 196.036  84.780  1.00 34.92           O  
-ATOM  32671  CG2 THR T 155      83.884 193.837  84.358  1.00 33.42           C  
-ATOM  32672  N   THR T 156      84.312 192.427  87.930  1.00 39.11           N  
-ATOM  32673  CA  THR T 156      84.862 191.110  88.357  1.00 42.73           C  
-ATOM  32674  C   THR T 156      85.326 190.347  87.102  1.00 44.12           C  
-ATOM  32675  O   THR T 156      84.493 189.988  86.258  1.00 44.22           O  
-ATOM  32676  CB  THR T 156      83.830 190.288  89.197  1.00 43.18           C  
-ATOM  32677  OG1 THR T 156      84.168 190.369  90.591  1.00 44.80           O  
-ATOM  32678  CG2 THR T 156      83.909 188.734  88.915  1.00 43.51           C  
-ATOM  32679  N   GLU T 157      86.644 190.153  86.952  1.00 46.20           N  
-ATOM  32680  CA  GLU T 157      87.184 189.670  85.665  1.00 48.42           C  
-ATOM  32681  C   GLU T 157      88.462 188.781  85.598  1.00 49.39           C  
-ATOM  32682  O   GLU T 157      89.560 189.164  86.061  1.00 49.69           O  
-ATOM  32683  CB  GLU T 157      87.265 190.811  84.637  1.00 48.71           C  
-ATOM  32684  CG  GLU T 157      86.628 190.432  83.302  1.00 50.63           C  
-ATOM  32685  CD  GLU T 157      85.721 191.507  82.730  1.00 53.68           C  
-ATOM  32686  OE1 GLU T 157      86.217 192.629  82.444  1.00 54.99           O  
-ATOM  32687  OE2 GLU T 157      84.510 191.227  82.551  1.00 54.67           O  
-ATOM  32688  N   ASN T 158      88.279 187.605  84.982  1.00 49.98           N  
-ATOM  32689  CA  ASN T 158      89.353 186.707  84.530  1.00 50.46           C  
-ATOM  32690  C   ASN T 158      90.326 187.378  83.519  1.00 50.69           C  
-ATOM  32691  O   ASN T 158      91.411 186.826  83.222  1.00 50.82           O  
-ATOM  32692  CB  ASN T 158      88.707 185.451  83.895  1.00 50.64           C  
-ATOM  32693  CG  ASN T 158      89.644 184.234  83.851  1.00 51.28           C  
-ATOM  32694  OD1 ASN T 158      89.181 183.081  83.847  1.00 52.32           O  
-ATOM  32695  ND2 ASN T 158      90.952 184.480  83.791  1.00 51.05           N  
-ATOM  32696  N   SER T 159      89.935 188.569  83.028  1.00 50.26           N  
-ATOM  32697  CA  SER T 159      90.605 189.290  81.927  1.00 49.57           C  
-ATOM  32698  C   SER T 159      92.074 189.721  82.152  1.00 49.14           C  
-ATOM  32699  O   SER T 159      92.364 190.619  82.967  1.00 48.80           O  
-ATOM  32700  CB  SER T 159      89.759 190.497  81.498  1.00 49.52           C  
-ATOM  32701  OG  SER T 159      89.903 190.777  80.112  1.00 49.98           O  
-ATOM  32702  N   ASP T 160      92.970 189.093  81.381  1.00 48.31           N  
-ATOM  32703  CA  ASP T 160      94.413 189.392  81.352  1.00 47.83           C  
-ATOM  32704  C   ASP T 160      94.712 190.879  81.105  1.00 46.44           C  
-ATOM  32705  O   ASP T 160      93.981 191.551  80.392  1.00 46.86           O  
-ATOM  32706  CB  ASP T 160      95.111 188.502  80.299  1.00 48.13           C  
-ATOM  32707  CG  ASP T 160      96.541 188.956  79.970  1.00 49.41           C  
-ATOM  32708  OD1 ASP T 160      97.320 189.268  80.903  1.00 51.39           O  
-ATOM  32709  OD2 ASP T 160      96.975 189.017  78.796  1.00 50.51           O  
-ATOM  32710  N   ASP T 161      95.809 191.364  81.678  1.00 45.19           N  
-ATOM  32711  CA  ASP T 161      96.090 192.801  81.792  1.00 44.05           C  
-ATOM  32712  C   ASP T 161      96.379 193.532  80.468  1.00 43.33           C  
-ATOM  32713  O   ASP T 161      95.501 194.168  79.881  1.00 42.39           O  
-ATOM  32714  CB  ASP T 161      97.230 193.010  82.792  1.00 44.19           C  
-ATOM  32715  CG  ASP T 161      96.799 192.767  84.226  1.00 43.19           C  
-ATOM  32716  OD1 ASP T 161      95.568 192.792  84.487  1.00 41.14           O  
-ATOM  32717  OD2 ASP T 161      97.626 192.550  85.146  1.00 42.36           O  
-ATOM  32718  N   SER T 162      97.617 193.419  80.002  1.00 42.36           N  
-ATOM  32719  CA  SER T 162      97.995 193.894  78.669  1.00 40.97           C  
-ATOM  32720  C   SER T 162      97.209 193.191  77.532  1.00 39.26           C  
-ATOM  32721  O   SER T 162      97.726 193.026  76.409  1.00 39.41           O  
-ATOM  32722  CB  SER T 162      99.508 193.674  78.466  1.00 41.29           C  
-ATOM  32723  OG  SER T 162      99.892 192.360  78.840  1.00 41.35           O  
-ATOM  32724  N   GLU T 163      95.971 192.783  77.814  1.00 36.74           N  
-ATOM  32725  CA  GLU T 163      95.309 191.764  76.984  1.00 34.02           C  
-ATOM  32726  C   GLU T 163      94.964 192.299  75.602  1.00 31.76           C  
-ATOM  32727  O   GLU T 163      94.933 191.548  74.621  1.00 31.14           O  
-ATOM  32728  CB  GLU T 163      94.062 191.260  77.682  1.00 33.99           C  
-ATOM  32729  CG  GLU T 163      93.494 189.981  77.113  1.00 35.13           C  
-ATOM  32730  CD  GLU T 163      91.979 189.934  77.199  1.00 36.68           C  
-ATOM  32731  OE1 GLU T 163      91.432 188.992  76.599  1.00 35.03           O  
-ATOM  32732  OE2 GLU T 163      91.341 190.838  77.845  1.00 35.54           O  
-ATOM  32733  N   TYR T 164      94.711 193.604  75.549  1.00 28.64           N  
-ATOM  32734  CA  TYR T 164      94.490 194.304  74.294  1.00 26.57           C  
-ATOM  32735  C   TYR T 164      95.577 195.324  74.016  1.00 24.56           C  
-ATOM  32736  O   TYR T 164      95.445 196.092  73.084  1.00 24.21           O  
-ATOM  32737  CB  TYR T 164      93.086 194.931  74.255  1.00 26.81           C  
-ATOM  32738  CG  TYR T 164      92.032 193.880  74.436  1.00 28.06           C  
-ATOM  32739  CD1 TYR T 164      92.036 192.736  73.632  1.00 31.71           C  
-ATOM  32740  CD2 TYR T 164      91.078 193.978  75.437  1.00 29.01           C  
-ATOM  32741  CE1 TYR T 164      91.089 191.720  73.802  1.00 32.67           C  
-ATOM  32742  CE2 TYR T 164      90.115 192.962  75.622  1.00 30.39           C  
-ATOM  32743  CZ  TYR T 164      90.136 191.844  74.801  1.00 32.10           C  
-ATOM  32744  OH  TYR T 164      89.216 190.825  74.965  1.00 35.75           O  
-ATOM  32745  N   PHE T 165      96.655 195.304  74.811  1.00 22.12           N  
-ATOM  32746  CA  PHE T 165      97.729 196.282  74.708  1.00 20.10           C  
-ATOM  32747  C   PHE T 165      98.558 196.094  73.458  1.00 19.18           C  
-ATOM  32748  O   PHE T 165      98.898 194.975  73.114  1.00 18.87           O  
-ATOM  32749  CB  PHE T 165      98.616 196.209  75.933  1.00 19.70           C  
-ATOM  32750  CG  PHE T 165      99.544 197.391  76.089  1.00 18.72           C  
-ATOM  32751  CD1 PHE T 165      99.046 198.639  76.465  1.00 17.56           C  
-ATOM  32752  CD2 PHE T 165     100.912 197.251  75.856  1.00 17.17           C  
-ATOM  32753  CE1 PHE T 165      99.918 199.741  76.617  1.00 18.19           C  
-ATOM  32754  CE2 PHE T 165     101.765 198.329  75.979  1.00 17.71           C  
-ATOM  32755  CZ  PHE T 165     101.270 199.596  76.358  1.00 17.05           C  
-ATOM  32756  N   SER T 166      98.847 197.194  72.766  1.00 18.23           N  
-ATOM  32757  CA  SER T 166      99.590 197.142  71.507  1.00 17.65           C  
-ATOM  32758  C   SER T 166     100.984 196.527  71.666  1.00 17.06           C  
-ATOM  32759  O   SER T 166     101.756 196.985  72.496  1.00 15.79           O  
-ATOM  32760  CB  SER T 166      99.736 198.545  70.915  1.00 17.43           C  
-ATOM  32761  OG  SER T 166     100.539 198.528  69.745  1.00 17.37           O  
-ATOM  32762  N   GLN T 167     101.299 195.553  70.809  1.00 17.02           N  
-ATOM  32763  CA  GLN T 167     102.641 194.956  70.738  1.00 17.79           C  
-ATOM  32764  C   GLN T 167     103.676 195.934  70.158  1.00 17.58           C  
-ATOM  32765  O   GLN T 167     104.888 195.658  70.191  1.00 17.39           O  
-ATOM  32766  CB  GLN T 167     102.624 193.661  69.917  1.00 18.23           C  
-ATOM  32767  CG  GLN T 167     102.398 193.874  68.422  1.00 19.85           C  
-ATOM  32768  CD  GLN T 167     102.185 192.585  67.656  1.00 22.58           C  
-ATOM  32769  OE1 GLN T 167     103.132 191.835  67.391  1.00 22.66           O  
-ATOM  32770  NE2 GLN T 167     100.938 192.335  67.274  1.00 22.22           N  
-ATOM  32771  N   TYR T 168     103.201 197.076  69.651  1.00 17.38           N  
-ATOM  32772  CA  TYR T 168     104.068 198.028  68.946  1.00 17.35           C  
-ATOM  32773  C   TYR T 168     104.417 199.217  69.776  1.00 17.00           C  
-ATOM  32774  O   TYR T 168     105.279 199.989  69.394  1.00 17.46           O  
-ATOM  32775  CB  TYR T 168     103.483 198.457  67.604  1.00 17.52           C  
-ATOM  32776  CG  TYR T 168     103.242 197.289  66.690  1.00 17.10           C  
-ATOM  32777  CD1 TYR T 168     104.286 196.467  66.297  1.00 17.32           C  
-ATOM  32778  CD2 TYR T 168     101.969 196.986  66.250  1.00 17.31           C  
-ATOM  32779  CE1 TYR T 168     104.071 195.364  65.465  1.00 18.00           C  
-ATOM  32780  CE2 TYR T 168     101.739 195.884  65.408  1.00 16.90           C  
-ATOM  32781  CZ  TYR T 168     102.804 195.089  65.031  1.00 17.65           C  
-ATOM  32782  OH  TYR T 168     102.606 194.011  64.218  1.00 19.10           O  
-ATOM  32783  N   SER T 169     103.774 199.328  70.930  1.00 16.28           N  
-ATOM  32784  CA  SER T 169     104.178 200.265  71.964  1.00 16.28           C  
-ATOM  32785  C   SER T 169     105.638 200.127  72.364  1.00 16.13           C  
-ATOM  32786  O   SER T 169     106.226 199.034  72.296  1.00 15.78           O  
-ATOM  32787  CB  SER T 169     103.296 200.074  73.206  1.00 15.96           C  
-ATOM  32788  OG  SER T 169     103.521 201.097  74.148  1.00 15.98           O  
-ATOM  32789  N   ARG T 170     106.204 201.255  72.776  1.00 16.51           N  
-ATOM  32790  CA  ARG T 170     107.544 201.334  73.340  1.00 16.77           C  
-ATOM  32791  C   ARG T 170     107.518 200.865  74.787  1.00 16.05           C  
-ATOM  32792  O   ARG T 170     108.569 200.709  75.412  1.00 15.58           O  
-ATOM  32793  CB  ARG T 170     107.957 202.786  73.379  1.00 17.26           C  
-ATOM  32794  CG  ARG T 170     108.929 203.210  72.327  1.00 20.46           C  
-ATOM  32795  CD  ARG T 170     109.397 204.656  72.516  1.00 23.91           C  
-ATOM  32796  NE  ARG T 170     108.250 205.507  72.821  1.00 26.45           N  
-ATOM  32797  CZ  ARG T 170     108.334 206.734  73.336  1.00 27.61           C  
-ATOM  32798  NH1 ARG T 170     109.543 207.255  73.587  1.00 25.21           N  
-ATOM  32799  NH2 ARG T 170     107.209 207.443  73.590  1.00 25.17           N  
-ATOM  32800  N   PHE T 171     106.307 200.714  75.334  1.00 15.37           N  
-ATOM  32801  CA  PHE T 171     106.170 200.287  76.726  1.00 15.24           C  
-ATOM  32802  C   PHE T 171     105.524 198.903  76.807  1.00 15.24           C  
-ATOM  32803  O   PHE T 171     104.873 198.471  75.855  1.00 15.54           O  
-ATOM  32804  CB  PHE T 171     105.433 201.338  77.581  1.00 15.10           C  
-ATOM  32805  CG  PHE T 171     105.907 202.768  77.377  1.00 11.80           C  
-ATOM  32806  CD1 PHE T 171     105.480 203.511  76.286  1.00 13.74           C  
-ATOM  32807  CD2 PHE T 171     106.747 203.370  78.284  1.00 12.72           C  
-ATOM  32808  CE1 PHE T 171     105.898 204.813  76.086  1.00 11.88           C  
-ATOM  32809  CE2 PHE T 171     107.180 204.684  78.100  1.00 13.20           C  
-ATOM  32810  CZ  PHE T 171     106.748 205.406  76.997  1.00 12.55           C  
-ATOM  32811  N   GLU T 172     105.761 198.197  77.905  1.00 15.80           N  
-ATOM  32812  CA  GLU T 172     105.059 196.949  78.212  1.00 16.96           C  
-ATOM  32813  C   GLU T 172     104.389 197.058  79.586  1.00 17.20           C  
-ATOM  32814  O   GLU T 172     104.891 197.743  80.476  1.00 17.02           O  
-ATOM  32815  CB  GLU T 172     106.015 195.735  78.162  1.00 17.33           C  
-ATOM  32816  CG  GLU T 172     107.208 195.817  79.097  1.00 18.72           C  
-ATOM  32817  CD  GLU T 172     108.156 194.636  78.955  1.00 22.77           C  
-ATOM  32818  OE1 GLU T 172     107.735 193.580  78.405  1.00 25.31           O  
-ATOM  32819  OE2 GLU T 172     109.334 194.755  79.384  1.00 22.69           O  
-ATOM  32820  N   ILE T 173     103.248 196.393  79.738  1.00 17.69           N  
-ATOM  32821  CA  ILE T 173     102.514 196.383  80.988  1.00 18.12           C  
-ATOM  32822  C   ILE T 173     102.937 195.183  81.820  1.00 18.47           C  
-ATOM  32823  O   ILE T 173     102.984 194.053  81.331  1.00 18.48           O  
-ATOM  32824  CB  ILE T 173     101.005 196.392  80.707  1.00 18.33           C  
-ATOM  32825  CG1 ILE T 173     100.621 197.718  80.061  1.00 18.85           C  
-ATOM  32826  CG2 ILE T 173     100.188 196.230  82.005  1.00 18.49           C  
-ATOM  32827  CD1 ILE T 173      99.155 197.793  79.659  1.00 20.60           C  
-ATOM  32828  N   LEU T 174     103.306 195.443  83.066  1.00 18.91           N  
-ATOM  32829  CA  LEU T 174     103.704 194.381  83.980  1.00 19.30           C  
-ATOM  32830  C   LEU T 174     102.515 193.893  84.785  1.00 19.83           C  
-ATOM  32831  O   LEU T 174     102.410 192.679  85.048  1.00 19.87           O  
-ATOM  32832  CB  LEU T 174     104.819 194.839  84.900  1.00 19.08           C  
-ATOM  32833  CG  LEU T 174     106.070 195.372  84.198  1.00 19.52           C  
-ATOM  32834  CD1 LEU T 174     107.021 195.990  85.195  1.00 19.45           C  
-ATOM  32835  CD2 LEU T 174     106.758 194.287  83.399  1.00 18.82           C  
-ATOM  32836  N   ASP T 175     101.635 194.821  85.172  1.00 19.99           N  
-ATOM  32837  CA  ASP T 175     100.499 194.516  86.037  1.00 21.15           C  
-ATOM  32838  C   ASP T 175      99.488 195.638  86.083  1.00 21.07           C  
-ATOM  32839  O   ASP T 175      99.856 196.809  86.012  1.00 20.66           O  
-ATOM  32840  CB  ASP T 175     100.965 194.227  87.480  1.00 21.81           C  
-ATOM  32841  CG  ASP T 175     100.107 193.158  88.191  1.00 24.31           C  
-ATOM  32842  OD1 ASP T 175      99.062 192.702  87.663  1.00 26.26           O  
-ATOM  32843  OD2 ASP T 175     100.425 192.699  89.304  1.00 27.84           O  
-ATOM  32844  N   VAL T 176      98.219 195.260  86.218  1.00 21.35           N  
-ATOM  32845  CA  VAL T 176      97.136 196.201  86.454  1.00 22.09           C  
-ATOM  32846  C   VAL T 176      96.336 195.700  87.670  1.00 22.93           C  
-ATOM  32847  O   VAL T 176      95.847 194.578  87.672  1.00 23.18           O  
-ATOM  32848  CB  VAL T 176      96.202 196.334  85.240  1.00 21.93           C  
-ATOM  32849  CG1 VAL T 176      95.123 197.342  85.521  1.00 21.07           C  
-ATOM  32850  CG2 VAL T 176      96.983 196.661  83.968  1.00 21.07           C  
-ATOM  32851  N   THR T 177      96.242 196.516  88.713  1.00 23.48           N  
-ATOM  32852  CA  THR T 177      95.382 196.201  89.839  1.00 23.89           C  
-ATOM  32853  C   THR T 177      94.412 197.337  90.070  1.00 23.97           C  
-ATOM  32854  O   THR T 177      94.632 198.471  89.620  1.00 23.54           O  
-ATOM  32855  CB  THR T 177      96.191 195.986  91.123  1.00 24.21           C  
-ATOM  32856  OG1 THR T 177      97.080 197.085  91.324  1.00 25.13           O  
-ATOM  32857  CG2 THR T 177      97.135 194.781  90.996  1.00 24.92           C  
-ATOM  32858  N   GLN T 178      93.358 197.031  90.798  1.00 23.59           N  
-ATOM  32859  CA  GLN T 178      92.429 198.065  91.208  1.00 24.91           C  
-ATOM  32860  C   GLN T 178      92.015 197.944  92.650  1.00 24.76           C  
-ATOM  32861  O   GLN T 178      92.089 196.855  93.268  1.00 24.90           O  
-ATOM  32862  CB  GLN T 178      91.197 198.162  90.304  1.00 25.07           C  
-ATOM  32863  CG  GLN T 178      90.696 196.857  89.767  1.00 30.35           C  
-ATOM  32864  CD  GLN T 178      90.581 196.894  88.255  1.00 35.10           C  
-ATOM  32865  OE1 GLN T 178      89.524 197.267  87.709  1.00 38.69           O  
-ATOM  32866  NE2 GLN T 178      91.673 196.538  87.565  1.00 36.63           N  
-ATOM  32867  N   LYS T 179      91.586 199.081  93.169  1.00 24.48           N  
-ATOM  32868  CA  LYS T 179      91.197 199.245  94.546  1.00 24.83           C  
-ATOM  32869  C   LYS T 179      90.012 200.202  94.508  1.00 24.55           C  
-ATOM  32870  O   LYS T 179      90.078 201.222  93.834  1.00 24.22           O  
-ATOM  32871  CB  LYS T 179      92.369 199.835  95.353  1.00 24.59           C  
-ATOM  32872  CG  LYS T 179      91.991 200.330  96.775  1.00 26.84           C  
-ATOM  32873  CD  LYS T 179      93.138 200.254  97.784  1.00 28.95           C  
-ATOM  32874  CE  LYS T 179      92.613 199.790  99.150  1.00 29.23           C  
-ATOM  32875  NZ  LYS T 179      93.433 198.699  99.753  1.00 28.51           N  
-ATOM  32876  N   LYS T 180      88.926 199.869  95.209  1.00 24.35           N  
-ATOM  32877  CA  LYS T 180      87.881 200.871  95.435  1.00 24.26           C  
-ATOM  32878  C   LYS T 180      88.135 201.694  96.724  1.00 23.18           C  
-ATOM  32879  O   LYS T 180      88.689 201.175  97.712  1.00 23.19           O  
-ATOM  32880  CB  LYS T 180      86.439 200.306  95.354  1.00 24.24           C  
-ATOM  32881  CG  LYS T 180      86.287 198.805  95.348  1.00 27.13           C  
-ATOM  32882  CD  LYS T 180      84.884 198.268  95.813  1.00 32.11           C  
-ATOM  32883  CE  LYS T 180      84.142 199.128  96.838  1.00 33.26           C  
-ATOM  32884  NZ  LYS T 180      83.664 200.451  96.245  1.00 34.67           N  
-ATOM  32885  N   ASN T 181      87.760 202.977  96.675  1.00 21.75           N  
-ATOM  32886  CA  ASN T 181      87.781 203.875  97.825  1.00 21.26           C  
-ATOM  32887  C   ASN T 181      86.469 204.640  97.901  1.00 20.30           C  
-ATOM  32888  O   ASN T 181      85.732 204.703  96.918  1.00 19.59           O  
-ATOM  32889  CB  ASN T 181      88.946 204.896  97.764  1.00 21.23           C  
-ATOM  32890  CG  ASN T 181      90.273 204.249  97.489  1.00 22.31           C  
-ATOM  32891  OD1 ASN T 181      90.828 203.555  98.346  1.00 22.63           O  
-ATOM  32892  ND2 ASN T 181      90.794 204.454  96.281  1.00 22.10           N  
-ATOM  32893  N   SER T 182      86.219 205.201  99.087  1.00 19.54           N  
-ATOM  32894  CA  SER T 182      85.091 206.034  99.451  1.00 19.27           C  
-ATOM  32895  C   SER T 182      85.698 207.289 100.106  1.00 19.47           C  
-ATOM  32896  O   SER T 182      86.163 207.231 101.241  1.00 17.60           O  
-ATOM  32897  CB  SER T 182      84.251 205.295 100.493  1.00 19.96           C  
-ATOM  32898  OG  SER T 182      82.853 205.458 100.271  1.00 22.28           O  
-ATOM  32899  N   VAL T 183      85.706 208.418  99.394  1.00 19.92           N  
-ATOM  32900  CA  VAL T 183      86.424 209.615  99.868  1.00 21.14           C  
-ATOM  32901  C   VAL T 183      85.455 210.754 100.221  1.00 21.36           C  
-ATOM  32902  O   VAL T 183      84.541 211.060  99.450  1.00 20.88           O  
-ATOM  32903  CB  VAL T 183      87.498 210.108  98.836  1.00 21.47           C  
-ATOM  32904  CG1 VAL T 183      88.292 211.320  99.361  1.00 23.15           C  
-ATOM  32905  CG2 VAL T 183      88.485 208.964  98.416  1.00 22.61           C  
-ATOM  32906  N   THR T 184      85.654 211.348 101.394  1.00 21.87           N  
-ATOM  32907  CA  THR T 184      85.004 212.608 101.768  1.00 23.07           C  
-ATOM  32908  C   THR T 184      85.929 213.830 101.510  1.00 24.09           C  
-ATOM  32909  O   THR T 184      87.030 213.900 102.044  1.00 24.48           O  
-ATOM  32910  CB  THR T 184      84.572 212.575 103.266  1.00 22.87           C  
-ATOM  32911  OG1 THR T 184      83.613 211.529 103.485  1.00 21.42           O  
-ATOM  32912  CG2 THR T 184      83.784 213.853 103.644  1.00 22.69           C  
-ATOM  32913  N   TYR T 185      85.458 214.781 100.697  1.00 25.36           N  
-ATOM  32914  CA  TYR T 185      86.200 215.991 100.304  1.00 25.68           C  
-ATOM  32915  C   TYR T 185      85.755 217.189 101.130  1.00 26.38           C  
-ATOM  32916  O   TYR T 185      84.670 217.175 101.741  1.00 26.44           O  
-ATOM  32917  CB  TYR T 185      85.986 216.288  98.807  1.00 25.85           C  
-ATOM  32918  CG  TYR T 185      86.444 215.143  97.954  1.00 27.31           C  
-ATOM  32919  CD1 TYR T 185      87.800 214.885  97.804  1.00 30.77           C  
-ATOM  32920  CD2 TYR T 185      85.527 214.254  97.371  1.00 29.35           C  
-ATOM  32921  CE1 TYR T 185      88.245 213.815  97.057  1.00 33.31           C  
-ATOM  32922  CE2 TYR T 185      85.965 213.158  96.614  1.00 30.09           C  
-ATOM  32923  CZ  TYR T 185      87.323 212.954  96.469  1.00 31.39           C  
-ATOM  32924  OH  TYR T 185      87.809 211.914  95.769  1.00 32.16           O  
-ATOM  32925  N   SER T 186      86.596 218.222 101.140  1.00 26.52           N  
-ATOM  32926  CA  SER T 186      86.358 219.430 101.930  1.00 26.64           C  
-ATOM  32927  C   SER T 186      85.093 220.172 101.507  1.00 26.39           C  
-ATOM  32928  O   SER T 186      84.315 220.576 102.348  1.00 26.21           O  
-ATOM  32929  CB  SER T 186      87.577 220.354 101.885  1.00 26.67           C  
-ATOM  32930  OG  SER T 186      88.538 219.923 102.842  1.00 27.35           O  
-ATOM  32931  N   CYS T 187      84.872 220.313 100.211  1.00 26.48           N  
-ATOM  32932  CA  CYS T 187      83.688 221.007  99.723  1.00 27.38           C  
-ATOM  32933  C   CYS T 187      82.396 220.520 100.358  1.00 26.40           C  
-ATOM  32934  O   CYS T 187      81.436 221.282 100.460  1.00 26.64           O  
-ATOM  32935  CB  CYS T 187      83.539 220.798  98.216  1.00 27.74           C  
-ATOM  32936  SG  CYS T 187      83.088 219.092  97.784  1.00 32.71           S  
-ATOM  32937  N   CYS T 188      82.356 219.241 100.723  1.00 25.38           N  
-ATOM  32938  CA  CYS T 188      81.073 218.550 100.843  1.00 25.05           C  
-ATOM  32939  C   CYS T 188      80.951 217.544 102.015  1.00 23.70           C  
-ATOM  32940  O   CYS T 188      81.957 217.010 102.512  1.00 22.93           O  
-ATOM  32941  CB  CYS T 188      80.713 217.882  99.506  1.00 26.18           C  
-ATOM  32942  SG  CYS T 188      81.067 218.834  97.993  1.00 28.51           S  
-ATOM  32943  N   PRO T 189      79.719 217.310 102.467  1.00 22.37           N  
-ATOM  32944  CA  PRO T 189      79.500 216.406 103.588  1.00 21.19           C  
-ATOM  32945  C   PRO T 189      79.509 214.928 103.221  1.00 20.58           C  
-ATOM  32946  O   PRO T 189      79.791 214.135 104.094  1.00 21.02           O  
-ATOM  32947  CB  PRO T 189      78.140 216.838 104.135  1.00 21.30           C  
-ATOM  32948  CG  PRO T 189      77.507 217.689 103.081  1.00 21.52           C  
-ATOM  32949  CD  PRO T 189      78.455 217.887 101.965  1.00 21.98           C  
-ATOM  32950  N   GLU T 190      79.241 214.543 101.982  1.00 19.52           N  
-ATOM  32951  CA  GLU T 190      79.086 213.121 101.710  1.00 19.13           C  
-ATOM  32952  C   GLU T 190      80.341 212.403 101.178  1.00 18.24           C  
-ATOM  32953  O   GLU T 190      81.335 213.009 100.788  1.00 17.64           O  
-ATOM  32954  CB  GLU T 190      77.900 212.881 100.766  1.00 19.47           C  
-ATOM  32955  CG  GLU T 190      76.551 213.326 101.318  1.00 22.92           C  
-ATOM  32956  CD  GLU T 190      75.836 212.203 102.025  1.00 25.36           C  
-ATOM  32957  OE1 GLU T 190      74.870 211.679 101.484  1.00 28.58           O  
-ATOM  32958  OE2 GLU T 190      76.255 211.825 103.126  1.00 30.82           O  
-ATOM  32959  N   ALA T 191      80.271 211.091 101.153  1.00 17.23           N  
-ATOM  32960  CA  ALA T 191      81.356 210.321 100.600  1.00 16.40           C  
-ATOM  32961  C   ALA T 191      81.111 209.986  99.122  1.00 15.63           C  
-ATOM  32962  O   ALA T 191      80.012 209.641  98.714  1.00 14.69           O  
-ATOM  32963  CB  ALA T 191      81.546 209.030 101.425  1.00 16.46           C  
-ATOM  32964  N   TYR T 192      82.174 210.029  98.339  1.00 15.53           N  
-ATOM  32965  CA  TYR T 192      82.102 209.811  96.896  1.00 16.22           C  
-ATOM  32966  C   TYR T 192      82.966 208.604  96.566  1.00 17.12           C  
-ATOM  32967  O   TYR T 192      84.123 208.524  96.998  1.00 17.48           O  
-ATOM  32968  CB  TYR T 192      82.618 211.035  96.119  1.00 15.49           C  
-ATOM  32969  CG  TYR T 192      81.686 212.210  96.188  1.00 15.87           C  
-ATOM  32970  CD1 TYR T 192      81.707 213.055  97.297  1.00 15.78           C  
-ATOM  32971  CD2 TYR T 192      80.763 212.472  95.157  1.00 15.04           C  
-ATOM  32972  CE1 TYR T 192      80.828 214.122  97.384  1.00 16.64           C  
-ATOM  32973  CE2 TYR T 192      79.861 213.522  95.249  1.00 15.51           C  
-ATOM  32974  CZ  TYR T 192      79.922 214.344  96.364  1.00 16.32           C  
-ATOM  32975  OH  TYR T 192      79.074 215.393  96.501  1.00 18.00           O  
-ATOM  32976  N   GLU T 193      82.426 207.657  95.814  1.00 17.27           N  
-ATOM  32977  CA  GLU T 193      83.191 206.439  95.551  1.00 17.84           C  
-ATOM  32978  C   GLU T 193      84.099 206.591  94.326  1.00 18.60           C  
-ATOM  32979  O   GLU T 193      83.789 207.333  93.377  1.00 17.95           O  
-ATOM  32980  CB  GLU T 193      82.267 205.232  95.421  1.00 17.93           C  
-ATOM  32981  CG  GLU T 193      81.573 204.861  96.717  1.00 18.22           C  
-ATOM  32982  CD  GLU T 193      80.862 203.512  96.665  1.00 19.98           C  
-ATOM  32983  OE1 GLU T 193      81.059 202.746  95.691  1.00 20.08           O  
-ATOM  32984  OE2 GLU T 193      80.100 203.214  97.618  1.00 21.43           O  
-ATOM  32985  N   ASP T 194      85.257 205.942  94.385  1.00 19.08           N  
-ATOM  32986  CA  ASP T 194      86.139 205.912  93.239  1.00 20.30           C  
-ATOM  32987  C   ASP T 194      86.784 204.539  93.097  1.00 19.80           C  
-ATOM  32988  O   ASP T 194      86.827 203.748  94.050  1.00 19.10           O  
-ATOM  32989  CB  ASP T 194      87.194 207.015  93.318  1.00 20.79           C  
-ATOM  32990  CG  ASP T 194      88.226 206.761  94.418  1.00 24.88           C  
-ATOM  32991  OD1 ASP T 194      89.040 205.802  94.266  1.00 27.86           O  
-ATOM  32992  OD2 ASP T 194      88.323 207.469  95.458  1.00 29.08           O  
-ATOM  32993  N   VAL T 195      87.257 204.252  91.890  1.00 19.46           N  
-ATOM  32994  CA  VAL T 195      88.144 203.136  91.662  1.00 19.61           C  
-ATOM  32995  C   VAL T 195      89.509 203.688  91.270  1.00 19.42           C  
-ATOM  32996  O   VAL T 195      89.603 204.544  90.390  1.00 19.10           O  
-ATOM  32997  CB  VAL T 195      87.636 202.218  90.555  1.00 20.07           C  
-ATOM  32998  CG1 VAL T 195      88.672 201.147  90.259  1.00 20.92           C  
-ATOM  32999  CG2 VAL T 195      86.309 201.563  90.943  1.00 20.79           C  
-ATOM  33000  N   GLU T 196      90.558 203.221  91.956  1.00 18.86           N  
-ATOM  33001  CA  GLU T 196      91.931 203.552  91.597  1.00 19.02           C  
-ATOM  33002  C   GLU T 196      92.511 202.387  90.809  1.00 18.72           C  
-ATOM  33003  O   GLU T 196      92.564 201.231  91.284  1.00 17.98           O  
-ATOM  33004  CB  GLU T 196      92.804 203.844  92.845  1.00 19.38           C  
-ATOM  33005  CG  GLU T 196      92.627 205.262  93.374  1.00 23.31           C  
-ATOM  33006  CD  GLU T 196      93.259 205.560  94.745  1.00 28.11           C  
-ATOM  33007  OE1 GLU T 196      93.840 204.638  95.421  1.00 28.94           O  
-ATOM  33008  OE2 GLU T 196      93.179 206.764  95.158  1.00 28.51           O  
-ATOM  33009  N   VAL T 197      92.933 202.708  89.596  1.00 18.15           N  
-ATOM  33010  CA  VAL T 197      93.535 201.750  88.700  1.00 17.71           C  
-ATOM  33011  C   VAL T 197      95.045 201.996  88.683  1.00 17.52           C  
-ATOM  33012  O   VAL T 197      95.520 203.072  88.331  1.00 16.98           O  
-ATOM  33013  CB  VAL T 197      92.908 201.847  87.281  1.00 17.82           C  
-ATOM  33014  CG1 VAL T 197      93.568 200.868  86.337  1.00 18.05           C  
-ATOM  33015  CG2 VAL T 197      91.387 201.542  87.341  1.00 17.64           C  
-ATOM  33016  N   SER T 198      95.794 200.972  89.075  1.00 17.39           N  
-ATOM  33017  CA  SER T 198      97.240 201.057  89.145  1.00 17.59           C  
-ATOM  33018  C   SER T 198      97.847 200.336  87.978  1.00 17.31           C  
-ATOM  33019  O   SER T 198      97.775 199.109  87.888  1.00 17.12           O  
-ATOM  33020  CB  SER T 198      97.760 200.495  90.476  1.00 17.71           C  
-ATOM  33021  OG  SER T 198      97.415 201.399  91.532  1.00 19.49           O  
-ATOM  33022  N   LEU T 199      98.443 201.117  87.092  1.00 16.81           N  
-ATOM  33023  CA  LEU T 199      99.121 200.625  85.907  1.00 16.89           C  
-ATOM  33024  C   LEU T 199     100.632 200.527  86.143  1.00 16.67           C  
-ATOM  33025  O   LEU T 199     101.318 201.543  86.218  1.00 17.00           O  
-ATOM  33026  CB  LEU T 199      98.828 201.522  84.732  1.00 16.68           C  
-ATOM  33027  CG  LEU T 199      99.536 201.286  83.394  1.00 18.33           C  
-ATOM  33028  CD1 LEU T 199      99.145 199.952  82.767  1.00 18.35           C  
-ATOM  33029  CD2 LEU T 199      99.260 202.485  82.418  1.00 18.68           C  
-ATOM  33030  N   ASN T 200     101.124 199.306  86.282  1.00 16.00           N  
-ATOM  33031  CA  ASN T 200     102.547 199.014  86.449  1.00 15.94           C  
-ATOM  33032  C   ASN T 200     103.120 198.702  85.065  1.00 15.18           C  
-ATOM  33033  O   ASN T 200     102.740 197.722  84.436  1.00 14.37           O  
-ATOM  33034  CB  ASN T 200     102.752 197.812  87.396  1.00 15.94           C  
-ATOM  33035  CG  ASN T 200     104.222 197.518  87.699  1.00 17.27           C  
-ATOM  33036  OD1 ASN T 200     104.587 196.368  88.018  1.00 18.33           O  
-ATOM  33037  ND2 ASN T 200     105.070 198.538  87.633  1.00 18.50           N  
-ATOM  33038  N   PHE T 201     103.998 199.572  84.591  1.00 14.20           N  
-ATOM  33039  CA  PHE T 201     104.501 199.481  83.228  1.00 13.94           C  
-ATOM  33040  C   PHE T 201     105.962 199.935  83.127  1.00 13.36           C  
-ATOM  33041  O   PHE T 201     106.538 200.518  84.058  1.00 13.08           O  
-ATOM  33042  CB  PHE T 201     103.615 200.302  82.275  1.00 14.19           C  
-ATOM  33043  CG  PHE T 201     103.815 201.798  82.404  1.00 15.46           C  
-ATOM  33044  CD1 PHE T 201     103.376 202.478  83.536  1.00 15.52           C  
-ATOM  33045  CD2 PHE T 201     104.483 202.513  81.410  1.00 16.09           C  
-ATOM  33046  CE1 PHE T 201     103.572 203.847  83.675  1.00 16.17           C  
-ATOM  33047  CE2 PHE T 201     104.680 203.884  81.540  1.00 16.44           C  
-ATOM  33048  CZ  PHE T 201     104.228 204.551  82.682  1.00 16.44           C  
-ATOM  33049  N   ARG T 202     106.564 199.651  81.981  1.00 12.09           N  
-ATOM  33050  CA  ARG T 202     107.945 200.059  81.757  1.00 11.03           C  
-ATOM  33051  C   ARG T 202     108.237 200.278  80.293  1.00  9.92           C  
-ATOM  33052  O   ARG T 202     107.529 199.780  79.406  1.00  9.59           O  
-ATOM  33053  CB  ARG T 202     108.942 199.087  82.387  1.00 10.68           C  
-ATOM  33054  CG  ARG T 202     109.438 197.975  81.483  1.00 12.98           C  
-ATOM  33055  CD  ARG T 202     110.325 196.956  82.185  1.00 13.19           C  
-ATOM  33056  NE  ARG T 202     110.111 195.635  81.627  1.00 14.89           N  
-ATOM  33057  CZ  ARG T 202     110.465 194.492  82.218  1.00 18.77           C  
-ATOM  33058  NH1 ARG T 202     111.065 194.505  83.401  1.00 19.94           N  
-ATOM  33059  NH2 ARG T 202     110.235 193.320  81.613  1.00 17.60           N  
-ATOM  33060  N   LYS T 203     109.304 201.030  80.074  1.00  8.65           N  
-ATOM  33061  CA  LYS T 203     109.763 201.391  78.776  1.00  8.00           C  
-ATOM  33062  C   LYS T 203     110.543 200.167  78.265  1.00  6.49           C  
-ATOM  33063  O   LYS T 203     111.327 199.621  79.008  1.00  5.40           O  
-ATOM  33064  CB  LYS T 203     110.706 202.571  78.983  1.00  9.66           C  
-ATOM  33065  CG  LYS T 203     110.927 203.520  77.802  1.00 12.65           C  
-ATOM  33066  CD  LYS T 203     111.683 204.775  78.333  1.00 19.81           C  
-ATOM  33067  CE  LYS T 203     113.227 204.780  77.989  1.00 22.67           C  
-ATOM  33068  NZ  LYS T 203     114.185 204.275  79.066  1.00 24.01           N  
-ATOM  33069  N   LYS T 204     110.272 199.733  77.031  1.00  4.99           N  
-ATOM  33070  CA  LYS T 204     111.053 198.703  76.324  1.00  4.92           C  
-ATOM  33071  C   LYS T 204     112.381 199.251  75.825  1.00  4.43           C  
-ATOM  33072  O   LYS T 204     112.483 200.450  75.573  1.00  3.38           O  
-ATOM  33073  CB  LYS T 204     110.304 198.178  75.084  1.00  4.00           C  
-ATOM  33074  CG  LYS T 204     108.970 197.451  75.323  1.00  5.75           C  
-ATOM  33075  CD  LYS T 204     108.557 196.714  74.030  1.00  6.07           C  
-ATOM  33076  CE  LYS T 204     107.089 196.401  73.999  1.00  7.65           C  
-ATOM  33077  NZ  LYS T 204     106.668 195.785  72.668  1.00  8.40           N  
-ATOM  33078  N   GLY T 205     113.379 198.377  75.645  1.00  3.92           N  
-ATOM  33079  CA  GLY T 205     114.611 198.804  75.019  1.00  5.52           C  
-ATOM  33080  C   GLY T 205     114.333 199.137  73.553  1.00  6.99           C  
-ATOM  33081  O   GLY T 205     113.395 198.587  72.958  1.00  6.97           O  
-ATOM  33082  N   ARG T 206     115.148 200.000  72.944  1.00  8.25           N  
-ATOM  33083  CA  ARG T 206     114.917 200.338  71.539  1.00  9.40           C  
-ATOM  33084  C   ARG T 206     115.164 199.153  70.586  1.00 10.77           C  
-ATOM  33085  O   ARG T 206     114.577 199.119  69.510  1.00 12.20           O  
-ATOM  33086  CB  ARG T 206     115.673 201.614  71.130  1.00  9.50           C  
-ATOM  33087  CG  ARG T 206     117.153 201.427  70.879  1.00  9.91           C  
-ATOM  33088  CD  ARG T 206     117.967 202.719  70.730  1.00  9.46           C  
-ATOM  33089  NE  ARG T 206     118.893 202.549  69.620  1.00  8.23           N  
-ATOM  33090  CZ  ARG T 206     118.807 203.171  68.457  1.00  6.05           C  
-ATOM  33091  NH1 ARG T 206     117.867 204.075  68.252  1.00  3.88           N  
-ATOM  33092  NH2 ARG T 206     119.689 202.890  67.502  1.00  7.77           N  
-ATOM  33093  N   SER T 207     116.002 198.187  70.993  1.00 10.77           N  
-ATOM  33094  CA  SER T 207     116.258 196.946  70.237  1.00 10.86           C  
-ATOM  33095  C   SER T 207     115.055 196.012  70.046  1.00 10.94           C  
-ATOM  33096  O   SER T 207     114.089 196.029  70.837  1.00 12.76           O  
-ATOM  33097  CB  SER T 207     117.402 196.157  70.902  1.00 10.75           C  
-ATOM  33098  OG  SER T 207     117.080 195.872  72.260  1.00  9.54           O  
-TER   33099      SER T 207                                                      
-HETATM33100  N1  NCT A1208      81.726  69.981  -7.943  1.00  6.73           N  
-HETATM33101  C1  NCT A1208      82.926  69.909  -8.615  1.00 10.53           C  
-HETATM33102  C2  NCT A1208      83.069  69.256  -9.857  1.00 10.30           C  
-HETATM33103  C3  NCT A1208      81.922  68.611 -10.371  1.00 12.64           C  
-HETATM33104  C4  NCT A1208      80.705  68.617  -9.641  1.00  6.75           C  
-HETATM33105  C5  NCT A1208      80.636  69.345  -8.441  1.00  9.23           C  
-HETATM33106  N2  NCT A1208      84.773  70.488 -11.317  1.00 14.61           N  
-HETATM33107  C6  NCT A1208      84.348  69.212 -10.639  1.00 16.12           C  
-HETATM33108  C7  NCT A1208      85.537  68.745  -9.801  1.00 16.76           C  
-HETATM33109  C8  NCT A1208      86.737  69.434 -10.424  1.00 16.75           C  
-HETATM33110  C9  NCT A1208      86.233  70.625 -11.235  1.00 14.09           C  
-HETATM33111  C10 NCT A1208      84.502  70.486 -12.756  1.00 15.95           C  
-HETATM33112  N1  NCT B1206      81.265  68.825  19.516  1.00 28.01           N  
-HETATM33113  C1  NCT B1206      82.404  68.092  19.388  1.00 31.68           C  
-HETATM33114  C2  NCT B1206      82.440  66.705  19.644  1.00 30.61           C  
-HETATM33115  C3  NCT B1206      81.246  66.086  20.037  1.00 31.66           C  
-HETATM33116  C4  NCT B1206      80.082  66.863  20.164  1.00 30.67           C  
-HETATM33117  C5  NCT B1206      80.111  68.235  19.892  1.00 31.16           C  
-HETATM33118  N2  NCT B1206      83.915  65.552  18.064  1.00 32.07           N  
-HETATM33119  C6  NCT B1206      83.681  65.876  19.488  1.00 30.78           C  
-HETATM33120  C7  NCT B1206      84.915  66.617  19.969  1.00 33.18           C  
-HETATM33121  C8  NCT B1206      86.011  66.355  18.931  1.00 32.82           C  
-HETATM33122  C9  NCT B1206      85.254  66.033  17.650  1.00 31.49           C  
-HETATM33123  C10 NCT B1206      83.858  64.082  17.777  1.00 33.24           C  
-HETATM33124  N1  NCT C1206      80.413  94.628  29.421  1.00 11.86           N  
-HETATM33125  C1  NCT C1206      81.597  94.250  30.008  1.00 12.78           C  
-HETATM33126  C2  NCT C1206      81.709  94.037  31.406  1.00  9.26           C  
-HETATM33127  C3  NCT C1206      80.558  94.234  32.159  1.00  2.16           C  
-HETATM33128  C4  NCT C1206      79.353  94.642  31.547  1.00  3.14           C  
-HETATM33129  C5  NCT C1206      79.298  94.844  30.164  1.00  5.96           C  
-HETATM33130  N2  NCT C1206      83.340  92.189  31.899  1.00 16.37           N  
-HETATM33131  C6  NCT C1206      82.965  93.608  32.123  1.00 13.03           C  
-HETATM33132  C7  NCT C1206      84.173  94.485  31.817  1.00 15.25           C  
-HETATM33133  C8  NCT C1206      85.336  93.545  31.527  1.00 16.72           C  
-HETATM33134  C9  NCT C1206      84.794  92.110  31.614  1.00 18.15           C  
-HETATM33135  C10 NCT C1206      83.063  91.359  33.097  1.00 14.80           C  
-HETATM33136  N1  NCT D1208      80.919 111.452   7.864  1.00 16.95           N  
-HETATM33137  C1  NCT D1208      82.041 111.978   8.422  1.00 17.97           C  
-HETATM33138  C2  NCT D1208      82.085 113.326   8.825  1.00 16.11           C  
-HETATM33139  C3  NCT D1208      80.937 114.091   8.688  1.00 15.49           C  
-HETATM33140  C4  NCT D1208      79.800 113.515   8.139  1.00 16.89           C  
-HETATM33141  C5  NCT D1208      79.802 112.181   7.737  1.00 15.66           C  
-HETATM33142  N2  NCT D1208      83.446 113.479  10.830  1.00 14.63           N  
-HETATM33143  C6  NCT D1208      83.282 113.957   9.450  1.00 13.27           C  
-HETATM33144  C7  NCT D1208      84.601 113.698   8.752  1.00 13.32           C  
-HETATM33145  C8  NCT D1208      85.617 113.440   9.841  1.00 12.54           C  
-HETATM33146  C9  NCT D1208      84.851 113.203  11.129  1.00 13.29           C  
-HETATM33147  C10 NCT D1208      83.023 114.557  11.732  1.00 17.28           C  
-HETATM33148  N1  NCT E1206      81.749  96.572 -15.427  1.00 23.15           N  
-HETATM33149  C1  NCT E1206      82.855  97.284 -15.739  1.00 24.23           C  
-HETATM33150  C2  NCT E1206      82.901  98.172 -16.827  1.00 22.63           C  
-HETATM33151  C3  NCT E1206      81.754  98.309 -17.592  1.00 22.92           C  
-HETATM33152  C4  NCT E1206      80.619  97.559 -17.271  1.00 23.20           C  
-HETATM33153  C5  NCT E1206      80.635  96.694 -16.170  1.00 23.65           C  
-HETATM33154  N2  NCT E1206      84.478  99.855 -15.974  1.00 22.84           N  
-HETATM33155  C6  NCT E1206      84.119  98.984 -17.138  1.00 23.21           C  
-HETATM33156  C7  NCT E1206      85.325  98.109 -17.392  1.00 24.64           C  
-HETATM33157  C8  NCT E1206      86.480  98.691 -16.600  1.00 22.89           C  
-HETATM33158  C9  NCT E1206      85.885  99.683 -15.625  1.00 23.46           C  
-HETATM33159  C10 NCT E1206      84.317 101.278 -16.323  1.00 20.24           C  
-HETATM33160  N1  NCT F1208      82.363 153.330  20.665  1.00 20.61           N  
-HETATM33161  C1  NCT F1208      83.460 153.886  20.108  1.00 19.19           C  
-HETATM33162  C2  NCT F1208      83.439 154.344  18.783  1.00 19.00           C  
-HETATM33163  C3  NCT F1208      82.263 154.211  18.043  1.00 17.82           C  
-HETATM33164  C4  NCT F1208      81.144 153.627  18.641  1.00 20.34           C  
-HETATM33165  C5  NCT F1208      81.208 153.194  19.981  1.00 20.25           C  
-HETATM33166  N2  NCT F1208      84.902 156.318  18.624  1.00 21.29           N  
-HETATM33167  C6  NCT F1208      84.623 154.959  18.132  1.00 19.05           C  
-HETATM33168  C7  NCT F1208      85.907 154.165  18.342  1.00 21.07           C  
-HETATM33169  C8  NCT F1208      87.036 155.195  18.397  1.00 19.92           C  
-HETATM33170  C9  NCT F1208      86.354 156.498  18.822  1.00 20.71           C  
-HETATM33171  C10 NCT F1208      84.530 157.226  17.549  1.00 22.06           C  
-HETATM33172  N1  NCT G1206      81.881 130.607  36.348  1.00 12.80           N  
-HETATM33173  C1  NCT G1206      83.046 130.356  35.718  1.00 12.28           C  
-HETATM33174  C2  NCT G1206      83.155 129.234  34.876  1.00  9.06           C  
-HETATM33175  C3  NCT G1206      82.030 128.427  34.729  1.00 11.64           C  
-HETATM33176  C4  NCT G1206      80.815 128.726  35.374  1.00  9.64           C  
-HETATM33177  C5  NCT G1206      80.776 129.839  36.210  1.00 12.56           C  
-HETATM33178  N2  NCT G1206      84.788 129.806  33.030  1.00  4.35           N  
-HETATM33179  C6  NCT G1206      84.425 128.913  34.168  1.00  5.54           C  
-HETATM33180  C7  NCT G1206      85.588 129.018  35.139  1.00  2.16           C  
-HETATM33181  C8  NCT G1206      86.783 129.382  34.292  1.00  2.59           C  
-HETATM33182  C9  NCT G1206      86.258 129.764  32.918  1.00  3.61           C  
-HETATM33183  C10 NCT G1206      84.301 129.293  31.732  1.00  7.18           C  
-HETATM33184  N1  NCT H1206      81.006 138.679  62.751  1.00 19.52           N  
-HETATM33185  C1  NCT H1206      82.146 137.960  62.818  1.00 19.76           C  
-HETATM33186  C2  NCT H1206      82.201 136.796  63.599  1.00 20.19           C  
-HETATM33187  C3  NCT H1206      81.069 136.371  64.290  1.00 17.47           C  
-HETATM33188  C4  NCT H1206      79.897 137.126  64.185  1.00 18.28           C  
-HETATM33189  C5  NCT H1206      79.890 138.277  63.410  1.00 17.97           C  
-HETATM33190  N2  NCT H1206      83.706 135.237  62.472  1.00 21.05           N  
-HETATM33191  C6  NCT H1206      83.445 135.988  63.714  1.00 21.73           C  
-HETATM33192  C7  NCT H1206      84.652 136.851  64.037  1.00 20.62           C  
-HETATM33193  C8  NCT H1206      85.727 136.362  63.095  1.00 22.73           C  
-HETATM33194  C9  NCT H1206      85.048 135.546  61.988  1.00 21.37           C  
-HETATM33195  C10 NCT H1206      83.676 133.819  62.849  1.00 21.09           C  
-HETATM33196  N1  NCT I1206      81.203 166.054  62.865  1.00 13.84           N  
-HETATM33197  C1  NCT I1206      82.351 165.963  63.559  1.00 15.00           C  
-HETATM33198  C2  NCT I1206      82.417 166.401  64.885  1.00 14.81           C  
-HETATM33199  C3  NCT I1206      81.261 166.939  65.468  1.00 14.30           C  
-HETATM33200  C4  NCT I1206      80.074 167.028  64.738  1.00  8.41           C  
-HETATM33201  C5  NCT I1206      80.094 166.586  63.416  1.00 14.48           C  
-HETATM33202  N2  NCT I1206      83.877 164.842  66.081  1.00 16.85           N  
-HETATM33203  C6  NCT I1206      83.657 166.280  65.693  1.00 17.24           C  
-HETATM33204  C7  NCT I1206      84.881 166.743  64.924  1.00 17.06           C  
-HETATM33205  C8  NCT I1206      85.963 165.804  65.424  1.00 19.39           C  
-HETATM33206  C9  NCT I1206      85.286 164.511  65.846  1.00 18.14           C  
-HETATM33207  C10 NCT I1206      83.613 164.523  67.501  1.00 12.62           C  
-HETATM33208  N1  NCT J1206      81.623 175.084  36.938  1.00  9.10           N  
-HETATM33209  C1  NCT J1206      82.762 175.739  37.263  1.00 14.69           C  
-HETATM33210  C2  NCT J1206      82.838 177.146  37.327  1.00 14.17           C  
-HETATM33211  C3  NCT J1206      81.664 177.850  37.080  1.00 12.45           C  
-HETATM33212  C4  NCT J1206      80.482 177.162  36.752  1.00  7.86           C  
-HETATM33213  C5  NCT J1206      80.496 175.766  36.675  1.00 11.52           C  
-HETATM33214  N2  NCT J1206      84.277 177.803  39.210  1.00 16.85           N  
-HETATM33215  C6  NCT J1206      84.080 177.887  37.726  1.00 17.65           C  
-HETATM33216  C7  NCT J1206      85.419 177.468  37.092  1.00 17.36           C  
-HETATM33217  C8  NCT J1206      86.442 177.628  38.220  1.00 17.46           C  
-HETATM33218  C9  NCT J1206      85.657 177.456  39.530  1.00 17.51           C  
-HETATM33219  C10 NCT J1206      84.084 179.168  39.715  1.00 19.69           C  
-HETATM33220  N1  NCT K1206      80.827   8.379  51.018  1.00  9.57           N  
-HETATM33221  C1  NCT K1206      81.927   7.700  51.391  1.00 12.65           C  
-HETATM33222  C2  NCT K1206      81.866   6.827  52.499  1.00 11.99           C  
-HETATM33223  C3  NCT K1206      80.663   6.628  53.165  1.00 10.74           C  
-HETATM33224  C4  NCT K1206      79.542   7.328  52.741  1.00  8.99           C  
-HETATM33225  C5  NCT K1206      79.666   8.214  51.670  1.00  8.60           C  
-HETATM33226  N2  NCT K1206      83.402   5.048  51.914  1.00 11.48           N  
-HETATM33227  C6  NCT K1206      83.049   6.060  52.939  1.00 11.28           C  
-HETATM33228  C7  NCT K1206      84.259   6.925  53.146  1.00  8.69           C  
-HETATM33229  C8  NCT K1206      85.395   5.978  52.794  1.00 10.30           C  
-HETATM33230  C9  NCT K1206      84.834   5.149  51.632  1.00 13.33           C  
-HETATM33231  C10 NCT K1206      83.120   3.732  52.480  1.00 15.14           C  
-HETATM33232  N1  NCT L1206      80.667  36.108  46.709  1.00 16.14           N  
-HETATM33233  C1  NCT L1206      81.791  36.048  47.451  1.00 13.19           C  
-HETATM33234  C2  NCT L1206      81.761  36.415  48.798  1.00 13.74           C  
-HETATM33235  C3  NCT L1206      80.541  36.811  49.342  1.00 14.86           C  
-HETATM33236  C4  NCT L1206      79.396  36.832  48.561  1.00 15.74           C  
-HETATM33237  C5  NCT L1206      79.488  36.472  47.214  1.00 15.71           C  
-HETATM33238  N2  NCT L1206      83.437  35.093  50.110  1.00 12.17           N  
-HETATM33239  C6  NCT L1206      82.972  36.421  49.663  1.00  9.83           C  
-HETATM33240  C7  NCT L1206      84.123  37.111  48.953  1.00 10.19           C  
-HETATM33241  C8  NCT L1206      85.335  36.210  49.038  1.00 10.57           C  
-HETATM33242  C9  NCT L1206      84.895  34.988  49.861  1.00 13.10           C  
-HETATM33243  C10 NCT L1206      83.264  34.987  51.570  1.00 13.61           C  
-HETATM33244  N1  NCT M1208      81.392  39.474  19.453  1.00 12.59           N  
-HETATM33245  C1  NCT M1208      82.523  40.193  19.643  1.00 14.77           C  
-HETATM33246  C2  NCT M1208      82.494  41.573  19.358  1.00 17.32           C  
-HETATM33247  C3  NCT M1208      81.316  42.135  18.877  1.00 16.95           C  
-HETATM33248  C4  NCT M1208      80.190  41.352  18.654  1.00 15.17           C  
-HETATM33249  C5  NCT M1208      80.258  39.993  18.966  1.00 13.16           C  
-HETATM33250  N2  NCT M1208      83.925  42.550  21.002  1.00 18.19           N  
-HETATM33251  C6  NCT M1208      83.658  42.453  19.578  1.00 18.23           C  
-HETATM33252  C7  NCT M1208      84.944  41.945  18.941  1.00 21.79           C  
-HETATM33253  C8  NCT M1208      86.038  42.191  19.957  1.00 23.25           C  
-HETATM33254  C9  NCT M1208      85.295  42.097  21.268  1.00 22.41           C  
-HETATM33255  C10 NCT M1208      83.864  43.944  21.446  1.00 24.45           C  
-HETATM33256  N1  NCT N1208      81.706  14.891   7.368  1.00  5.74           N  
-HETATM33257  C1  NCT N1208      82.884  15.230   6.841  1.00  7.03           C  
-HETATM33258  C2  NCT N1208      83.050  15.411   5.466  1.00  9.06           C  
-HETATM33259  C3  NCT N1208      81.947  15.262   4.637  1.00  9.17           C  
-HETATM33260  C4  NCT N1208      80.715  14.897   5.194  1.00 10.96           C  
-HETATM33261  C5  NCT N1208      80.621  14.720   6.584  1.00 10.58           C  
-HETATM33262  N2  NCT N1208      84.592  17.269   5.255  1.00 10.62           N  
-HETATM33263  C6  NCT N1208      84.346  15.833   4.881  1.00 10.86           C  
-HETATM33264  C7  NCT N1208      85.563  15.042   5.347  1.00  9.78           C  
-HETATM33265  C8  NCT N1208      86.684  16.095   5.417  1.00 10.30           C  
-HETATM33266  C9  NCT N1208      85.983  17.424   5.718  1.00  9.54           C  
-HETATM33267  C10 NCT N1208      84.387  18.125   4.068  1.00 13.42           C  
-HETATM33268  N1  NCT O1206      81.386  -4.198  26.720  1.00 15.31           N  
-HETATM33269  C1  NCT O1206      82.496  -4.674  26.133  1.00 14.81           C  
-HETATM33270  C2  NCT O1206      82.526  -5.993  25.620  1.00 10.89           C  
-HETATM33271  C3  NCT O1206      81.395  -6.769  25.724  1.00 15.14           C  
-HETATM33272  C4  NCT O1206      80.261  -6.250  26.354  1.00 17.61           C  
-HETATM33273  C5  NCT O1206      80.278  -4.946  26.848  1.00 15.83           C  
-HETATM33274  N2  NCT O1206      83.976  -5.899  23.636  1.00  9.07           N  
-HETATM33275  C6  NCT O1206      83.723  -6.524  24.962  1.00  8.24           C  
-HETATM33276  C7  NCT O1206      84.944  -6.213  25.821  1.00  7.65           C  
-HETATM33277  C8  NCT O1206      86.052  -5.775  24.873  1.00  8.89           C  
-HETATM33278  C9  NCT O1206      85.333  -5.295  23.615  1.00  4.09           C  
-HETATM33279  C10 NCT O1206      84.026  -6.898  22.543  1.00  6.85           C  
-HETATM33280  N1  NCT P1206      81.386 242.732  77.306  1.00  8.68           N  
-HETATM33281  C1  NCT P1206      82.466 243.019  78.044  1.00 11.84           C  
-HETATM33282  C2  NCT P1206      82.440 244.083  78.978  1.00  6.76           C  
-HETATM33283  C3  NCT P1206      81.254 244.774  79.112  1.00  5.88           C  
-HETATM33284  C4  NCT P1206      80.142 244.489  78.314  1.00  5.80           C  
-HETATM33285  C5  NCT P1206      80.216 243.436  77.406  1.00 11.58           C  
-HETATM33286  N2  NCT P1206      83.982 243.455  80.884  1.00 10.85           N  
-HETATM33287  C6  NCT P1206      83.623 244.434  79.828  1.00 11.50           C  
-HETATM33288  C7  NCT P1206      84.840 244.559  78.952  1.00  9.04           C  
-HETATM33289  C8  NCT P1206      85.968 243.915  79.699  1.00  8.25           C  
-HETATM33290  C9  NCT P1206      85.426 243.446  81.025  1.00  7.04           C  
-HETATM33291  C10 NCT P1206      83.539 243.817  82.233  1.00  8.54           C  
-HETATM33292  N1  NCT Q1206      81.880 237.307  50.584  1.00 17.39           N  
-HETATM33293  C1  NCT Q1206      83.027 238.012  50.573  1.00 18.73           C  
-HETATM33294  C2  NCT Q1206      83.136 239.227  49.884  1.00 15.02           C  
-HETATM33295  C3  NCT Q1206      82.035 239.693  49.187  1.00 17.39           C  
-HETATM33296  C4  NCT Q1206      80.849 238.955  49.211  1.00 19.63           C  
-HETATM33297  C5  NCT Q1206      80.800 237.754  49.944  1.00 20.16           C  
-HETATM33298  N2  NCT Q1206      84.624 240.805  51.063  1.00 16.84           N  
-HETATM33299  C6  NCT Q1206      84.387 240.005  49.834  1.00 16.08           C  
-HETATM33300  C7  NCT Q1206      85.607 239.119  49.592  1.00 16.56           C  
-HETATM33301  C8  NCT Q1206      86.698 239.763  50.448  1.00 20.75           C  
-HETATM33302  C9  NCT Q1206      85.973 240.480  51.590  1.00 18.10           C  
-HETATM33303  C10 NCT Q1206      84.642 242.245  50.768  1.00 18.19           C  
-HETATM33304  N1  NCT R1208      82.093 210.000  47.569  1.00 13.09           N  
-HETATM33305  C1  NCT R1208      83.281 210.151  46.964  1.00  8.92           C  
-HETATM33306  C2  NCT R1208      83.443 209.847  45.622  1.00 11.99           C  
-HETATM33307  C3  NCT R1208      82.347 209.344  44.909  1.00 10.54           C  
-HETATM33308  C4  NCT R1208      81.124 209.162  45.551  1.00 11.03           C  
-HETATM33309  C5  NCT R1208      81.012 209.496  46.904  1.00 11.75           C  
-HETATM33310  N2  NCT R1208      85.015 211.532  44.754  1.00 15.36           N  
-HETATM33311  C6  NCT R1208      84.752 210.064  44.923  1.00 13.97           C  
-HETATM33312  C7  NCT R1208      85.961 209.499  45.639  1.00 15.50           C  
-HETATM33313  C8  NCT R1208      87.091 210.483  45.365  1.00 18.48           C  
-HETATM33314  C9  NCT R1208      86.465 211.793  44.914  1.00 14.86           C  
-HETATM33315  C10 NCT R1208      84.633 211.998  43.405  1.00 11.74           C  
-HETATM33316  N1  NCT S1206      81.132 198.798  72.940  1.00 10.43           N  
-HETATM33317  C1  NCT S1206      82.323 198.228  72.589  1.00 13.66           C  
-HETATM33318  C2  NCT S1206      82.417 196.826  72.398  1.00 14.56           C  
-HETATM33319  C3  NCT S1206      81.271 196.036  72.558  1.00 12.31           C  
-HETATM33320  C4  NCT S1206      80.064 196.660  72.887  1.00 12.78           C  
-HETATM33321  C5  NCT S1206      80.022 198.041  73.109  1.00 10.16           C  
-HETATM33322  N2  NCT S1206      83.812 196.356  70.555  1.00 13.40           N  
-HETATM33323  C6  NCT S1206      83.664 196.156  72.000  1.00 10.77           C  
-HETATM33324  C7  NCT S1206      84.908 196.711  72.661  1.00 11.21           C  
-HETATM33325  C8  NCT S1206      85.932 196.778  71.554  1.00  7.39           C  
-HETATM33326  C9  NCT S1206      85.125 196.951  70.270  1.00 11.25           C  
-HETATM33327  C10 NCT S1206      83.820 195.042  69.884  1.00 16.70           C  
-HETATM33328  N1  NCT T1208      80.597 218.938  91.630  1.00 16.54           N  
-HETATM33329  C1  NCT T1208      81.742 218.331  92.029  1.00 17.65           C  
-HETATM33330  C2  NCT T1208      81.885 217.809  93.325  1.00 15.35           C  
-HETATM33331  C3  NCT T1208      80.789 217.930  94.182  1.00 12.83           C  
-HETATM33332  C4  NCT T1208      79.609 218.551  93.758  1.00 12.55           C  
-HETATM33333  C5  NCT T1208      79.535 219.057  92.463  1.00 12.89           C  
-HETATM33334  N2  NCT T1208      83.430 215.821  93.196  1.00 19.87           N  
-HETATM33335  C6  NCT T1208      83.146 217.153  93.808  1.00 16.48           C  
-HETATM33336  C7  NCT T1208      84.383 218.002  93.525  1.00 18.90           C  
-HETATM33337  C8  NCT T1208      85.528 217.004  93.420  1.00 18.98           C  
-HETATM33338  C9  NCT T1208      84.889 215.675  93.006  1.00 17.94           C  
-HETATM33339  C10 NCT T1208      82.975 214.733  94.086  1.00 19.25           C  
-HETATM33340  O   HOH A2001      55.638 100.347 -21.973  1.00 47.53           O  
-HETATM33341  O   HOH A2002      58.498 104.260 -11.069  1.00 47.39           O  
-HETATM33342  O   HOH A2003      62.598  94.221 -16.264  1.00 45.84           O  
-HETATM33343  O   HOH A2004      68.236 107.335 -19.410  1.00 85.24           O  
-HETATM33344  O   HOH A2005      71.123 102.995 -15.990  1.00 52.68           O  
-HETATM33345  O   HOH A2006      64.039 105.315 -11.819  1.00 40.26           O  
-HETATM33346  O   HOH A2007      60.446  95.547 -16.663  1.00 39.87           O  
-HETATM33347  O   HOH A2008      97.099  99.964 -11.999  1.00 27.50           O  
-HETATM33348  O   HOH A2009      74.382  82.852  -9.219  1.00 28.65           O  
-HETATM33349  O   HOH A2010      96.051 104.801 -16.069  1.00 42.98           O  
-HETATM33350  O   HOH A2011      70.970  75.818 -11.620  1.00 38.62           O  
-HETATM33351  O   HOH A2012      72.133  76.824  -8.366  1.00 39.81           O  
-HETATM33352  O   HOH A2013      63.534  81.319 -22.452  1.00 63.50           O  
-HETATM33353  O   HOH A2014      74.772  83.168 -23.619  1.00 35.57           O  
-HETATM33354  O   HOH A2015      84.178  88.036  -2.646  1.00 42.52           O  
-HETATM33355  O   HOH A2016      78.822  93.002  -2.704  1.00 44.58           O  
-HETATM33356  O   HOH A2017      76.617  87.058  -4.563  1.00 37.71           O  
-HETATM33357  O   HOH A2018      97.195  98.122 -10.524  1.00 29.78           O  
-HETATM33358  O   HOH A2019     104.955  94.582  -9.801  1.00 42.17           O  
-HETATM33359  O   HOH A2020     103.920  84.992  -5.338  1.00 43.94           O  
-HETATM33360  O   HOH A2021     118.306  84.024 -21.878  1.00 55.01           O  
-HETATM33361  O   HOH A2022     118.196  88.997 -20.983  1.00 49.49           O  
-HETATM33362  O   HOH A2023     105.675  81.700  -3.517  1.00 39.02           O  
-HETATM33363  O   HOH A2024      98.534  74.247 -13.867  1.00 47.94           O  
-HETATM33364  O   HOH A2025      99.091  70.845 -13.717  1.00 48.41           O  
-HETATM33365  O   HOH A2026     102.757  76.611  -5.176  1.00 56.57           O  
-HETATM33366  O   HOH A2027      84.069  88.246 -22.451  1.00 41.34           O  
-HETATM33367  O   HOH A2028      96.816 102.350 -15.927  1.00 46.94           O  
-HETATM33368  O   HOH A2029      69.332  85.730 -13.415  1.00 31.85           O  
-HETATM33369  O   HOH A2030      62.953  91.919 -16.328  1.00 38.32           O  
-HETATM33370  O   HOH A2031      58.449  94.511 -20.874  1.00 32.27           O  
-HETATM33371  O   HOH A2032      77.061  96.360 -21.649  1.00 42.29           O  
-HETATM33372  O   HOH A2033      77.726 101.676 -22.714  1.00 65.16           O  
-HETATM33373  O   HOH A2034      71.149 101.517 -13.445  1.00 25.71           O  
-HETATM33374  O   HOH A2035      71.202  85.221  -4.704  1.00 44.88           O  
-HETATM33375  O   HOH A2036      74.444  85.287  -7.954  1.00 31.14           O  
-HETATM33376  O   HOH A2037      71.948  85.782 -15.238  1.00 33.11           O  
-HETATM33377  O   HOH A2038      86.120  81.482  -8.539  1.00 33.42           O  
-HETATM33378  O   HOH A2039      88.737  80.988  -8.830  1.00 34.69           O  
-HETATM33379  O   HOH A2040      89.897  77.793  -7.767  1.00 34.39           O  
-HETATM33380  O   HOH A2041      92.601  74.137  -7.439  1.00 36.50           O  
-HETATM33381  O   HOH A2042      85.615  73.608 -15.914  1.00 30.82           O  
-HETATM33382  O   HOH A2043      95.431  75.021  -6.536  1.00 27.82           O  
-HETATM33383  O   HOH A2044      86.183  80.311   2.708  1.00 48.46           O  
-HETATM33384  O   HOH A2045      86.578  89.216  -2.438  1.00 38.78           O  
-HETATM33385  O   HOH A2046      85.431  98.060  -4.050  1.00 37.88           O  
-HETATM33386  O   HOH A2047      84.260  93.598  -4.064  1.00 45.35           O  
-HETATM33387  O   HOH A2048      82.780  94.234  -9.908  1.00 44.38           O  
-HETATM33388  O   HOH A2049      77.215  90.014  -4.294  1.00 56.21           O  
-HETATM33389  O   HOH A2050      76.072  92.051  -5.275  1.00 47.05           O  
-HETATM33390  O   HOH A2051      79.833  95.233  -3.600  1.00 48.07           O  
-HETATM33391  O   HOH A2052      82.591  90.561  -0.011  1.00 51.44           O  
-HETATM33392  O   HOH A2053      72.653  93.714 -26.640  1.00 38.90           O  
-HETATM33393  O   HOH A2054      71.051  87.931 -27.278  1.00 41.36           O  
-HETATM33394  O   HOH A2055      82.286  87.382  -7.677  1.00 51.91           O  
-HETATM33395  O   HOH A2056      91.634  96.671 -10.180  1.00 42.33           O  
-HETATM33396  O   HOH A2057      97.199  90.071  -1.232  1.00 40.78           O  
-HETATM33397  O   HOH A2058     103.373  76.104  -7.589  1.00 34.56           O  
-HETATM33398  O   HOH A2059     109.548  75.949 -14.197  1.00 40.84           O  
-HETATM33399  O   HOH A2060     107.636  79.884 -17.955  1.00 43.11           O  
-HETATM33400  O   HOH A2061     110.957  78.856 -19.614  1.00 48.34           O  
-HETATM33401  O   HOH A2062     114.326  84.336 -15.198  1.00 45.75           O  
-HETATM33402  O   HOH A2063     117.467  86.888 -22.381  1.00 72.42           O  
-HETATM33403  O   HOH A2064     118.726  89.432 -23.898  1.00 54.19           O  
-HETATM33404  O   HOH A2065      99.610  76.515 -15.224  1.00 44.78           O  
-HETATM33405  O   HOH A2066      97.366  71.277 -16.859  1.00 39.72           O  
-HETATM33406  O   HOH A2067      74.149  77.433 -11.419  1.00 32.66           O  
-HETATM33407  O   HOH A2068      81.452  73.418 -18.869  1.00 31.07           O  
-HETATM33408  O   HOH A2069      73.608  66.413 -15.885  1.00 43.00           O  
-HETATM33409  O   HOH A2070      86.271  78.735 -28.554  1.00 57.94           O  
-HETATM33410  O   HOH A2071      95.615  91.931 -20.830  1.00 29.16           O  
-HETATM33411  O   HOH A2072     103.242  95.487 -20.892  1.00 39.26           O  
-HETATM33412  O   HOH A2073      94.772 102.559 -23.280  1.00 46.17           O  
-HETATM33413  O   HOH A2074     104.272  98.190 -17.481  1.00 68.90           O  
-HETATM33414  O   HOH A2075      98.986 101.497 -11.662  1.00 34.66           O  
-HETATM33415  O   HOH A2076      99.308 102.795 -15.455  1.00 44.57           O  
-HETATM33416  O   HOH A2077      89.841  64.674 -20.922  1.00 45.75           O  
-HETATM33417  O   HOH A2078      87.968  71.974 -17.624  1.00 55.74           O  
-HETATM33418  O   HOH A2079      88.402  64.032 -10.251  1.00 61.29           O  
-HETATM33419  O   HOH A2080      84.332  64.974 -15.550  1.00 31.83           O  
-HETATM33420  O   HOH A2081      79.865  64.650 -14.844  1.00 47.67           O  
-HETATM33421  O   HOH A2082      82.870  75.542 -18.129  1.00 37.63           O  
-HETATM33422  O   HOH A2083      92.492  72.276 -19.753  1.00 43.01           O  
-HETATM33423  O   HOH A2084     101.517  78.194 -22.972  1.00 63.14           O  
-HETATM33424  O   HOH A2085      96.562  78.722 -23.438  1.00 52.73           O  
-HETATM33425  O   HOH A2086     112.869  97.911 -19.110  1.00 38.63           O  
-HETATM33426  O   HOH A2087     112.409  99.956 -12.499  1.00 45.30           O  
-HETATM33427  O   HOH A2088     112.846 101.351 -14.727  1.00 44.57           O  
-HETATM33428  O   HOH A2089     113.155 103.477 -15.460  1.00 40.60           O  
-HETATM33429  O   HOH A2090      81.684  71.509  -5.546  1.00 36.88           O  
-HETATM33430  O   HOH B2001      57.140  64.869 -15.501  1.00 51.11           O  
-HETATM33431  O   HOH B2002      65.530  73.811 -17.548  1.00 44.55           O  
-HETATM33432  O   HOH B2003      58.068  68.787  -3.020  1.00 41.52           O  
-HETATM33433  O   HOH B2004      56.481  72.093 -12.250  1.00 48.20           O  
-HETATM33434  O   HOH B2005      61.191  68.723  -8.361  1.00 46.40           O  
-HETATM33435  O   HOH B2006      65.139  70.311  -0.472  1.00 40.90           O  
-HETATM33436  O   HOH B2007      66.829  81.274  -7.390  1.00 40.28           O  
-HETATM33437  O   HOH B2008      97.489  73.953 -10.116  1.00 32.26           O  
-HETATM33438  O   HOH B2009      60.880  68.626  -3.011  1.00 59.12           O  
-HETATM33439  O   HOH B2010      63.506  74.599  10.234  1.00 53.19           O  
-HETATM33440  O   HOH B2011      66.028  69.228   2.964  1.00 47.50           O  
-HETATM33441  O   HOH B2012      67.129  74.302  13.166  1.00 58.98           O  
-HETATM33442  O   HOH B2013      70.830  56.748   6.529  1.00 51.27           O  
-HETATM33443  O   HOH B2014      97.070  68.195  15.679  1.00 36.06           O  
-HETATM33444  O   HOH B2015      75.123  58.271   1.641  1.00 40.50           O  
-HETATM33445  O   HOH B2016      80.984  56.233   4.496  1.00 38.91           O  
-HETATM33446  O   HOH B2017      90.004  58.796   0.551  1.00 66.56           O  
-HETATM33447  O   HOH B2018      91.974  61.008  -0.036  1.00 48.40           O  
-HETATM33448  O   HOH B2019      97.906  74.426  -7.273  1.00 31.16           O  
-HETATM33449  O   HOH B2020     105.964  78.980   7.885  1.00 43.52           O  
-HETATM33450  O   HOH B2021     114.042  67.008   5.375  1.00 33.70           O  
-HETATM33451  O   HOH B2022     111.790  73.077   5.934  1.00 46.25           O  
-HETATM33452  O   HOH B2023     101.388  77.508   8.832  1.00 52.36           O  
-HETATM33453  O   HOH B2024      81.389  58.724  -4.277  1.00 61.50           O  
-HETATM33454  O   HOH B2025      71.188  59.296   3.579  1.00 27.61           O  
-HETATM33455  O   HOH B2026      67.992  60.362   2.615  1.00 46.62           O  
-HETATM33456  O   HOH B2027      67.172  54.279  -1.478  1.00 52.62           O  
-HETATM33457  O   HOH B2028      62.810  67.670  -4.721  1.00 41.41           O  
-HETATM33458  O   HOH B2029      59.051  65.027  -8.360  1.00 41.32           O  
-HETATM33459  O   HOH B2030      59.871  64.029 -15.040  1.00 38.39           O  
-HETATM33460  O   HOH B2031      64.804  67.009 -20.038  1.00 41.52           O  
-HETATM33461  O   HOH B2032      77.478  63.969 -15.115  1.00 58.87           O  
-HETATM33462  O   HOH B2033      71.367  73.530 -12.493  1.00 24.17           O  
-HETATM33463  O   HOH B2034      68.460  77.638  -3.397  1.00 57.04           O  
-HETATM33464  O   HOH B2035      74.350  73.582   4.416  1.00 34.41           O  
-HETATM33465  O   HOH B2036      72.196  67.087   1.393  1.00 29.86           O  
-HETATM33466  O   HOH B2037      73.720  68.055  11.252  1.00 24.21           O  
-HETATM33467  O   HOH B2038      85.682  71.977   8.408  1.00 35.19           O  
-HETATM33468  O   HOH B2039      88.367  71.555   8.536  1.00 39.54           O  
-HETATM33469  O   HOH B2040      92.066  70.412  15.890  1.00 27.93           O  
-HETATM33470  O   HOH B2041      85.134  62.380  13.582  1.00 27.62           O  
-HETATM33471  O   HOH B2042      94.468  66.567  16.257  1.00 43.47           O  
-HETATM33472  O   HOH B2043      85.816  82.545  13.862  1.00 44.19           O  
-HETATM33473  O   HOH B2044      89.690  80.096  -6.707  1.00 39.46           O  
-HETATM33474  O   HOH B2045      82.680  74.148  -4.594  1.00 38.01           O  
-HETATM33475  O   HOH B2046      76.199  78.180  -1.402  1.00 61.58           O  
-HETATM33476  O   HOH B2047      79.908  80.448  -3.379  1.00 36.03           O  
-HETATM33477  O   HOH B2048      91.964  76.270  -6.221  1.00 23.51           O  
-HETATM33478  O   HOH B2049      96.387  81.701   1.085  1.00 48.12           O  
-HETATM33479  O   HOH B2050      99.147  81.872  -1.848  1.00 46.48           O  
-HETATM33480  O   HOH B2051      88.795  70.548   5.730  1.00 33.60           O  
-HETATM33481  O   HOH B2052     103.231  70.666  14.411  1.00 40.99           O  
-HETATM33482  O   HOH B2053      98.975  66.868  14.342  1.00 33.72           O  
-HETATM33483  O   HOH B2054     106.884  62.886   7.920  1.00 36.33           O  
-HETATM33484  O   HOH B2055     113.638  60.274   5.496  1.00 54.19           O  
-HETATM33485  O   HOH B2056     118.137  61.131   1.994  1.00 52.35           O  
-HETATM33486  O   HOH B2057     116.865  59.078   2.634  1.00 41.68           O  
-HETATM33487  O   HOH B2058     102.971  60.935  10.110  1.00 38.83           O  
-HETATM33488  O   HOH B2059     101.388  63.686  10.122  1.00 57.63           O  
-HETATM33489  O   HOH B2060      92.852  64.164  16.665  1.00 44.74           O  
-HETATM33490  O   HOH B2061      81.112  59.533  12.805  1.00 21.35           O  
-HETATM33491  O   HOH B2062      79.075  54.169  11.155  1.00 33.98           O  
-HETATM33492  O   HOH B2063      72.434  54.137  13.158  1.00 43.65           O  
-HETATM33493  O   HOH B2064      71.866  58.734  17.138  1.00 42.92           O  
-HETATM33494  O   HOH B2065      85.821  55.806   9.359  1.00 42.32           O  
-HETATM33495  O   HOH B2066      89.601  54.846  -9.978  1.00 59.04           O  
-HETATM33496  O   HOH B2067      95.411  65.302  -7.613  1.00 42.45           O  
-HETATM33497  O   HOH B2068     105.014  68.815  -9.122  1.00 27.46           O  
-HETATM33498  O   HOH B2069     105.608  75.143  -5.224  1.00 49.04           O  
-HETATM33499  O   HOH B2070     108.456  75.577   1.850  1.00 33.55           O  
-HETATM33500  O   HOH B2071     103.759  64.710  -7.748  1.00 44.12           O  
-HETATM33501  O   HOH B2072      94.473  53.473   0.495  1.00 40.21           O  
-HETATM33502  O   HOH B2073      87.757  52.307  11.759  1.00 40.81           O  
-HETATM33503  O   HOH B2074      89.145  53.141  19.291  1.00 34.96           O  
-HETATM33504  O   HOH B2075      90.170  53.080  14.951  1.00 42.27           O  
-HETATM33505  O   HOH B2076      90.900  59.831  21.169  1.00 50.52           O  
-HETATM33506  O   HOH B2077      83.666  60.113  22.222  1.00 21.74           O  
-HETATM33507  O   HOH B2078      87.313  60.553  14.779  1.00 43.43           O  
-HETATM33508  O   HOH B2079      84.793  58.950  26.658  1.00 54.32           O  
-HETATM33509  O   HOH B2080      87.171  65.404  25.124  1.00 50.49           O  
-HETATM33510  O   HOH B2081      79.366  60.670  22.071  1.00 35.63           O  
-HETATM33511  O   HOH B2082      82.542  61.030  11.073  1.00 29.75           O  
-HETATM33512  O   HOH B2083      96.443  56.954   6.473  1.00 37.07           O  
-HETATM33513  O   HOH B2084     113.073  57.904  -5.682  1.00 37.87           O  
-HETATM33514  O   HOH B2085     113.246  67.524  -9.899  1.00 48.32           O  
-HETATM33515  O   HOH C2001      55.815  66.623  15.960  1.00 54.46           O  
-HETATM33516  O   HOH C2002      64.344  60.999  12.934  1.00 37.30           O  
-HETATM33517  O   HOH C2003      64.025  63.526  10.819  1.00 41.17           O  
-HETATM33518  O   HOH C2004      60.242  68.764  19.841  1.00 41.53           O  
-HETATM33519  O   HOH C2005      55.920  68.971  17.435  1.00 46.41           O  
-HETATM33520  O   HOH C2006      62.868  78.033  10.613  1.00 60.71           O  
-HETATM33521  O   HOH C2007      65.728  85.876  21.541  1.00 46.35           O  
-HETATM33522  O   HOH C2008      59.702  83.174  24.237  1.00 56.66           O  
-HETATM33523  O   HOH C2009      73.642  83.173  22.014  1.00 35.46           O  
-HETATM33524  O   HOH C2010      71.458  88.454  25.005  1.00 27.29           O  
-HETATM33525  O   HOH C2011      69.758  86.948  28.296  1.00 44.85           O  
-HETATM33526  O   HOH C2012      60.636  73.065  22.190  1.00 44.10           O  
-HETATM33527  O   HOH C2013      70.010  76.864  33.547  1.00 44.10           O  
-HETATM33528  O   HOH C2014      67.560  76.000  32.005  1.00 45.50           O  
-HETATM33529  O   HOH C2015      69.377  78.434  35.983  1.00 41.14           O  
-HETATM33530  O   HOH C2016      63.920  74.161  38.257  1.00 64.79           O  
-HETATM33531  O   HOH C2017      65.284  82.853  37.091  1.00 43.56           O  
-HETATM33532  O   HOH C2018      64.926  73.796  43.925  1.00 67.54           O  
-HETATM33533  O   HOH C2019      72.396  75.601  35.270  1.00 39.80           O  
-HETATM33534  O   HOH C2020      73.831  74.379  33.461  1.00 40.85           O  
-HETATM33535  O   HOH C2021      77.664  72.604  33.674  1.00 43.35           O  
-HETATM33536  O   HOH C2022      97.452  70.926  15.943  1.00 30.99           O  
-HETATM33537  O   HOH C2023     101.292  84.255  16.190  1.00 50.97           O  
-HETATM33538  O   HOH C2024     100.507  86.901  18.985  1.00 53.74           O  
-HETATM33539  O   HOH C2025      96.873  82.634  15.776  1.00 55.55           O  
-HETATM33540  O   HOH C2026      68.586  78.272  23.626  1.00 37.06           O  
-HETATM33541  O   HOH C2027      66.894  74.383  35.515  1.00 70.01           O  
-HETATM33542  O   HOH C2028      62.697  71.654  22.032  1.00 47.86           O  
-HETATM33543  O   HOH C2029      58.213  67.144  24.090  1.00 50.05           O  
-HETATM33544  O   HOH C2030      69.252  57.947  20.234  1.00 31.69           O  
-HETATM33545  O   HOH C2031      71.086  65.649  14.419  1.00 17.67           O  
-HETATM33546  O   HOH C2032      71.683  83.718  16.853  1.00 47.54           O  
-HETATM33547  O   HOH C2033      73.831  82.019  19.784  1.00 31.60           O  
-HETATM33548  O   HOH C2034      72.713  86.292  26.928  1.00 43.97           O  
-HETATM33549  O   HOH C2035      71.230  77.206  25.252  1.00 33.53           O  
-HETATM33550  O   HOH C2036      79.789  84.017  22.768  1.00 45.93           O  
-HETATM33551  O   HOH C2037      85.415  85.187  23.168  1.00 38.33           O  
-HETATM33552  O   HOH C2038      82.034  83.212  23.353  1.00 38.76           O  
-HETATM33553  O   HOH C2039      87.998  85.068  23.720  1.00 30.40           O  
-HETATM33554  O   HOH C2040      89.139  88.760  24.834  1.00 42.76           O  
-HETATM33555  O   HOH C2041      84.138  86.710  33.694  1.00 35.10           O  
-HETATM33556  O   HOH C2042      93.841  91.237  26.211  1.00 39.68           O  
-HETATM33557  O   HOH C2043      94.917  80.504  11.675  1.00 46.62           O  
-HETATM33558  O   HOH C2044      84.806  74.496   9.596  1.00 38.15           O  
-HETATM33559  O   HOH C2045      82.557  73.623  16.605  1.00 33.75           O  
-HETATM33560  O   HOH C2046      79.954  76.536  10.568  1.00 35.51           O  
-HETATM33561  O   HOH C2047      72.969  60.463  20.140  1.00 25.20           O  
-HETATM33562  O   HOH C2048      68.835  69.646  31.677  1.00 38.31           O  
-HETATM33563  O   HOH C2049      75.946  70.570  31.733  1.00 52.33           O  
-HETATM33564  O   HOH C2050      74.114  70.848  33.605  1.00 44.97           O  
-HETATM33565  O   HOH C2051      82.051  79.464  18.734  1.00 50.76           O  
-HETATM33566  O   HOH C2052      80.944  71.624  19.020  1.00 33.65           O  
-HETATM33567  O   HOH C2053      91.240  72.403  14.437  1.00 28.15           O  
-HETATM33568  O   HOH C2054      88.163  81.978  23.416  1.00 31.98           O  
-HETATM33569  O   HOH C2055     116.821  73.674  33.332  1.00 56.93           O  
-HETATM33570  O   HOH C2056     106.008  81.078  32.761  1.00 43.69           O  
-HETATM33571  O   HOH C2057      98.304  84.836  32.211  1.00 38.23           O  
-HETATM33572  O   HOH C2058     100.601  83.404  32.571  1.00 43.74           O  
-HETATM33573  O   HOH C2059      79.984  85.414  36.041  1.00 27.73           O  
-HETATM33574  O   HOH C2060      79.174  76.532  36.542  1.00 43.23           O  
-HETATM33575  O   HOH C2061      93.709  68.218  29.654  1.00 54.43           O  
-HETATM33576  O   HOH C2062      94.792  69.084  27.717  1.00 36.02           O  
-HETATM33577  O   HOH C2063      96.669  61.647  29.006  1.00 40.77           O  
-HETATM33578  O   HOH C2064      99.204  63.911  17.335  1.00 42.09           O  
-HETATM33579  O   HOH C2065     111.912  75.956  17.656  1.00 58.21           O  
-HETATM33580  O   HOH C2066     104.609  67.258  21.564  1.00 43.59           O  
-HETATM33581  O   HOH C2067     106.962  64.711  24.214  1.00 50.82           O  
-HETATM33582  O   HOH C2068     102.813  66.876  25.592  1.00 46.91           O  
-HETATM33583  O   HOH C2069     103.391  68.266  37.130  1.00 53.98           O  
-HETATM33584  O   HOH C2070      93.564  71.312  38.407  1.00 39.53           O  
-HETATM33585  O   HOH C2071      90.914  73.516  31.140  1.00 42.99           O  
-HETATM33586  O   HOH C2072      89.317  76.709  42.300  1.00 47.36           O  
-HETATM33587  O   HOH C2073      80.883  83.903  42.663  1.00 41.10           O  
-HETATM33588  O   HOH C2074      82.725  94.120  38.957  1.00 37.23           O  
-HETATM33589  O   HOH C2075      85.625  97.129  34.680  1.00 73.65           O  
-HETATM33590  O   HOH C2076      75.321  94.644  38.787  1.00 61.06           O  
-HETATM33591  O   HOH C2077      81.397  83.760  34.143  1.00 34.76           O  
-HETATM33592  O   HOH C2078      86.303  86.935  36.174  1.00 48.35           O  
-HETATM33593  O   HOH C2079      95.667  80.593  38.422  1.00 30.90           O  
-HETATM33594  O   HOH C2080      94.992  78.040  37.070  1.00 35.63           O  
-HETATM33595  O   HOH C2081      80.365  94.705  26.629  1.00 40.58           O  
-HETATM33596  O   HOH D2001      54.190  95.878  34.800  1.00 51.24           O  
-HETATM33597  O   HOH D2002      57.750  97.090  28.437  1.00 37.90           O  
-HETATM33598  O   HOH D2003      69.469  89.625  32.967  1.00 54.93           O  
-HETATM33599  O   HOH D2004      62.987  84.875  30.743  1.00 46.91           O  
-HETATM33600  O   HOH D2005      61.816  95.557  27.412  1.00 46.49           O  
-HETATM33601  O   HOH D2006      56.374  86.484  20.114  1.00 47.63           O  
-HETATM33602  O   HOH D2007      59.564  95.062  28.518  1.00 41.72           O  
-HETATM33603  O   HOH D2008      62.413  91.103  14.895  1.00 48.56           O  
-HETATM33604  O   HOH D2009      96.183  90.486  29.581  1.00 28.66           O  
-HETATM33605  O   HOH D2010      58.904  98.069  24.615  1.00 48.04           O  
-HETATM33606  O   HOH D2011      63.979  99.564  13.297  1.00 42.75           O  
-HETATM33607  O   HOH D2012      73.421 101.586  15.872  1.00 28.52           O  
-HETATM33608  O   HOH D2013      70.127 108.365  13.968  1.00 28.49           O  
-HETATM33609  O   HOH D2014      64.918 103.115  11.288  1.00 42.70           O  
-HETATM33610  O   HOH D2015      67.080 108.870  25.504  1.00 47.60           O  
-HETATM33611  O   HOH D2016      61.529 114.543  27.423  1.00 51.48           O  
-HETATM33612  O   HOH D2017      71.109 120.031  21.229  1.00 43.19           O  
-HETATM33613  O   HOH D2018      76.038  98.371  16.178  1.00 40.41           O  
-HETATM33614  O   HOH D2019      77.089 109.846  29.543  1.00 34.79           O  
-HETATM33615  O   HOH D2020      90.847 105.418  32.056  1.00 61.58           O  
-HETATM33616  O   HOH D2021      96.603  91.254  27.237  1.00 47.13           O  
-HETATM33617  O   HOH D2022     102.255 105.343   9.804  1.00 56.47           O  
-HETATM33618  O   HOH D2023      84.593 105.044  40.414  1.00 68.33           O  
-HETATM33619  O   HOH D2024      82.943 105.377  30.108  1.00 40.03           O  
-HETATM33620  O   HOH D2025      95.395  88.571  36.208  1.00 45.24           O  
-HETATM33621  O   HOH D2026      72.986 109.612  27.930  1.00 49.29           O  
-HETATM33622  O   HOH D2027      59.152 101.307  24.972  1.00 52.59           O  
-HETATM33623  O   HOH D2028      57.945  95.058  36.749  1.00 54.70           O  
-HETATM33624  O   HOH D2029      54.277  99.691  38.286  1.00 63.26           O  
-HETATM33625  O   HOH D2030      54.127 102.227  37.030  1.00 50.28           O  
-HETATM33626  O   HOH D2031      67.639  92.022  38.918  1.00 45.66           O  
-HETATM33627  O   HOH D2032      70.054  88.871  30.094  1.00 21.50           O  
-HETATM33628  O   HOH D2033      75.403  92.054  18.248  1.00 56.28           O  
-HETATM33629  O   HOH D2034      73.697  98.655  16.442  1.00 33.46           O  
-HETATM33630  O   HOH D2035      70.885 102.703  22.808  1.00 25.43           O  
-HETATM33631  O   HOH D2036      75.359 104.864  15.282  1.00 51.85           O  
-HETATM33632  O   HOH D2037      87.834 103.394  15.267  1.00 37.93           O  
-HETATM33633  O   HOH D2038      91.891 108.082  10.344  1.00 42.33           O  
-HETATM33634  O   HOH D2039      84.027 113.485  16.310  1.00 44.35           O  
-HETATM33635  O   HOH D2040      94.336 107.043  10.567  1.00 27.17           O  
-HETATM33636  O   HOH D2041      83.445  89.793  18.657  1.00 35.37           O  
-HETATM33637  O   HOH D2042      81.988  93.234  23.894  1.00 38.17           O  
-HETATM33638  O   HOH D2043      64.060 106.408  32.326  1.00 47.58           O  
-HETATM33639  O   HOH D2044      75.284 107.187  30.966  1.00 47.92           O  
-HETATM33640  O   HOH D2045      74.007 102.405  35.010  1.00 47.82           O  
-HETATM33641  O   HOH D2046      81.620  96.910  18.502  1.00 46.60           O  
-HETATM33642  O   HOH D2047     106.030 110.366  22.730  1.00 49.31           O  
-HETATM33643  O   HOH D2048     117.772 106.022  28.228  1.00 66.05           O  
-HETATM33644  O   HOH D2049     100.288 111.119  19.709  1.00 51.77           O  
-HETATM33645  O   HOH D2050      98.176 111.116  17.951  1.00 38.75           O  
-HETATM33646  O   HOH D2051      72.772 107.390  14.558  1.00 39.98           O  
-HETATM33647  O   HOH D2052      79.899 115.232  18.718  1.00 28.66           O  
-HETATM33648  O   HOH D2053      84.929 108.616  40.793  1.00 66.54           O  
-HETATM33649  O   HOH D2054      90.481 101.708  39.765  1.00 66.00           O  
-HETATM33650  O   HOH D2055      93.985 102.466  31.902  1.00 38.76           O  
-HETATM33651  O   HOH D2056      94.046  99.227  32.734  1.00 35.48           O  
-HETATM33652  O   HOH D2057     100.526  98.766  37.473  1.00 51.21           O  
-HETATM33653  O   HOH D2058      98.198  89.025  30.084  1.00 34.93           O  
-HETATM33654  O   HOH D2059      98.020  90.679  34.225  1.00 51.74           O  
-HETATM33655  O   HOH D2060     107.509  96.365  19.957  1.00 38.23           O  
-HETATM33656  O   HOH D2061     101.835  99.178  33.793  1.00 45.30           O  
-HETATM33657  O   HOH D2062      88.931 118.598  29.112  1.00 37.63           O  
-HETATM33658  O   HOH D2063      91.583 119.364  19.370  1.00 57.98           O  
-HETATM33659  O   HOH D2064      87.293 118.164   6.105  1.00 51.23           O  
-HETATM33660  O   HOH D2065      83.896 123.969   8.011  1.00 55.05           O  
-HETATM33661  O   HOH D2066      82.949 120.311  11.136  1.00 44.83           O  
-HETATM33662  O   HOH D2067      78.599 119.712  10.170  1.00 48.35           O  
-HETATM33663  O   HOH D2068      81.274 113.056  19.315  1.00 41.38           O  
-HETATM33664  O   HOH D2069      90.899 116.859  18.878  1.00 40.86           O  
-HETATM33665  O   HOH D2070      94.724 113.964  26.146  1.00 49.76           O  
-HETATM33666  O   HOH D2071     112.433  98.955  33.457  1.00 38.88           O  
-HETATM33667  O   HOH D2072     111.552  93.521  35.497  1.00 50.44           O  
-HETATM33668  O   HOH D2073     112.158  95.931  35.435  1.00 47.44           O  
-HETATM33669  O   HOH E2001      54.131 118.131   8.103  1.00 56.50           O  
-HETATM33670  O   HOH E2002      64.155 113.560  17.262  1.00 39.29           O  
-HETATM33671  O   HOH E2003      69.736 113.858  13.192  1.00 46.07           O  
-HETATM33672  O   HOH E2004      96.625 110.267  12.329  1.00 38.04           O  
-HETATM33673  O   HOH E2005      59.319 108.639   1.610  1.00 52.35           O  
-HETATM33674  O   HOH E2006      74.034 101.119  -3.413  1.00 25.31           O  
-HETATM33675  O   HOH E2007      71.052 101.531 -10.137  1.00 47.11           O  
-HETATM33676  O   HOH E2008      66.589  98.763  -4.530  1.00 44.00           O  
-HETATM33677  O   HOH E2009      66.505 111.327  -7.702  1.00 58.47           O  
-HETATM33678  O   HOH E2010      73.392 113.321 -19.938  1.00 56.69           O  
-HETATM33679  O   HOH E2011      74.285 114.830  -7.449  1.00 30.86           O  
-HETATM33680  O   HOH E2012      96.913 108.180  10.721  1.00 40.31           O  
-HETATM33681  O   HOH E2013     101.167  97.221   2.939  1.00 51.80           O  
-HETATM33682  O   HOH E2014     107.710  99.363   2.541  1.00 57.22           O  
-HETATM33683  O   HOH E2015     103.927  95.665  -7.378  1.00 40.34           O  
-HETATM33684  O   HOH E2016     104.820  96.041  -1.860  1.00 45.59           O  
-HETATM33685  O   HOH E2017      96.279  98.249   2.623  1.00 56.07           O  
-HETATM33686  O   HOH E2018     101.849  98.957   0.714  1.00 54.03           O  
-HETATM33687  O   HOH E2019      62.238 110.537   2.949  1.00 43.43           O  
-HETATM33688  O   HOH E2020      55.919 122.728   3.157  1.00 53.79           O  
-HETATM33689  O   HOH E2021      63.594 121.532  13.448  1.00 51.32           O  
-HETATM33690  O   HOH E2022      58.643 119.626   9.289  1.00 43.90           O  
-HETATM33691  O   HOH E2023      68.138 120.455  13.237  1.00 39.58           O  
-HETATM33692  O   HOH E2024      68.824 117.955  12.346  1.00 42.80           O  
-HETATM33693  O   HOH E2025      70.425 110.975  13.081  1.00 23.25           O  
-HETATM33694  O   HOH E2026      75.559 100.560   6.109  1.00 75.01           O  
-HETATM33695  O   HOH E2027      74.117  97.621   7.737  1.00 45.47           O  
-HETATM33696  O   HOH E2028      74.045 100.731  -0.871  1.00 29.39           O  
-HETATM33697  O   HOH E2029      68.853 105.924  -1.740  1.00 34.99           O  
-HETATM33698  O   HOH E2030      73.831 101.574  -8.918  1.00 38.73           O  
-HETATM33699  O   HOH E2031      71.597 108.237  -2.098  1.00 30.33           O  
-HETATM33700  O   HOH E2032      85.888 100.755  -4.289  1.00 30.07           O  
-HETATM33701  O   HOH E2033      88.405 100.984  -4.764  1.00 23.27           O  
-HETATM33702  O   HOH E2034      91.862  98.567 -12.672  1.00 45.98           O  
-HETATM33703  O   HOH E2035      94.398  97.395  -9.736  1.00 48.86           O  
-HETATM33704  O   HOH E2036      93.688  97.744   2.240  1.00 54.45           O  
-HETATM33705  O   HOH E2037      85.830  91.177   3.279  1.00 47.60           O  
-HETATM33706  O   HOH E2038      84.222 101.711  12.910  1.00 34.30           O  
-HETATM33707  O   HOH E2039      82.053 106.016   7.309  1.00 50.90           O  
-HETATM33708  O   HOH E2040      79.711 100.306  10.262  1.00 42.05           O  
-HETATM33709  O   HOH E2041      80.736 108.857   6.590  1.00 36.40           O  
-HETATM33710  O   HOH E2042      82.059 102.431   2.374  1.00 47.64           O  
-HETATM33711  O   HOH E2043      96.389  97.339   7.521  1.00 51.79           O  
-HETATM33712  O   HOH E2044      88.596 103.245  -2.950  1.00 43.89           O  
-HETATM33713  O   HOH E2045     101.256 107.254 -10.204  1.00 56.94           O  
-HETATM33714  O   HOH E2046      84.902 104.893 -14.151  1.00 33.80           O  
-HETATM33715  O   HOH E2047      78.747 113.050 -17.432  1.00 39.83           O  
-HETATM33716  O   HOH E2048      81.080 107.758 -15.368  1.00 33.45           O  
-HETATM33717  O   HOH E2049      85.705 119.955 -11.310  1.00 78.16           O  
-HETATM33718  O   HOH E2050      80.383 115.296 -10.685  1.00 40.87           O  
-HETATM33719  O   HOH E2051      85.304 127.055   0.557  1.00 50.81           O  
-HETATM33720  O   HOH E2052      94.738 116.310   1.824  1.00 53.74           O  
-HETATM33721  O   HOH E2053     103.920 114.642   8.812  1.00 43.40           O  
-HETATM33722  O   HOH E2054      97.933 115.170  14.139  1.00 46.74           O  
-HETATM33723  O   HOH E2055     105.160 103.766   8.189  1.00 57.17           O  
-HETATM33724  O   HOH E2056     107.532 101.442   4.664  1.00 56.20           O  
-HETATM33725  O   HOH E2057     103.312 122.921  -5.724  1.00 46.64           O  
-HETATM33726  O   HOH E2058      89.728 113.671 -20.248  1.00 48.61           O  
-HETATM33727  O   HOH E2059      84.109 102.264 -22.628  1.00 43.49           O  
-HETATM33728  O   HOH E2060      82.822 107.555 -13.263  1.00 47.74           O  
-HETATM33729  O   HOH E2061      92.294 108.599 -16.278  1.00 36.99           O  
-HETATM33730  O   HOH E2062      96.151 114.474 -10.856  1.00 34.49           O  
-HETATM33731  O   HOH E2063      81.320  94.756 -13.394  1.00 30.86           O  
-HETATM33732  O   HOH F2001      70.861 178.952  41.878  1.00 52.94           O  
-HETATM33733  O   HOH F2002      65.042 180.760  45.271  1.00 48.53           O  
-HETATM33734  O   HOH F2003      63.312 166.428  29.323  1.00 56.51           O  
-HETATM33735  O   HOH F2004      65.892 166.070  29.552  1.00 50.44           O  
-HETATM33736  O   HOH F2005      60.674 162.360  27.298  1.00 36.88           O  
-HETATM33737  O   HOH F2006      61.205 158.939  30.239  1.00 51.93           O  
-HETATM33738  O   HOH F2007      67.140 159.680  29.966  1.00 43.50           O  
-HETATM33739  O   HOH F2008      74.542 162.029  30.077  1.00 35.41           O  
-HETATM33740  O   HOH F2009      71.209 160.172  23.573  1.00 37.28           O  
-HETATM33741  O   HOH F2010      66.670 164.624  21.565  1.00 51.11           O  
-HETATM33742  O   HOH F2011      58.803 175.356  33.577  1.00 45.68           O  
-HETATM33743  O   HOH F2012      63.707 173.732  10.564  1.00 69.92           O  
-HETATM33744  O   HOH F2013      77.038 161.868  33.853  1.00 47.56           O  
-HETATM33745  O   HOH F2014      81.770 164.528  31.432  1.00 48.27           O  
-HETATM33746  O   HOH F2015      74.915 172.381  15.411  1.00 38.02           O  
-HETATM33747  O   HOH F2016      73.848 172.981  19.707  1.00 39.95           O  
-HETATM33748  O   HOH F2017      75.027 173.598  21.648  1.00 38.11           O  
-HETATM33749  O   HOH F2018      78.782 175.584  21.765  1.00 38.20           O  
-HETATM33750  O   HOH F2019      91.163 180.976  30.556  1.00 60.33           O  
-HETATM33751  O   HOH F2020     102.879 170.463  40.856  1.00 52.20           O  
-HETATM33752  O   HOH F2021      97.791 156.992  22.501  1.00 50.02           O  
-HETATM33753  O   HOH F2022     108.442 164.824  36.372  1.00 39.48           O  
-HETATM33754  O   HOH F2023      97.439 161.051  16.445  1.00 51.81           O  
-HETATM33755  O   HOH F2024     102.538 157.729  33.680  1.00 49.74           O  
-HETATM33756  O   HOH F2025     101.215 160.329  32.980  1.00 53.99           O  
-HETATM33757  O   HOH F2026      98.578 180.237  41.647  1.00 33.25           O  
-HETATM33758  O   HOH F2027      96.434 181.724  43.198  1.00 44.54           O  
-HETATM33759  O   HOH F2028      69.540 167.361  29.549  1.00 38.80           O  
-HETATM33760  O   HOH F2029      91.766 162.214   9.374  1.00 41.04           O  
-HETATM33761  O   HOH F2030      63.769 180.572  28.406  1.00 41.17           O  
-HETATM33762  O   HOH F2031      58.745 177.839  32.140  1.00 35.64           O  
-HETATM33763  O   HOH F2032      59.393 183.292  35.738  1.00 41.34           O  
-HETATM33764  O   HOH F2033      69.508 185.392  39.533  1.00 43.70           O  
-HETATM33765  O   HOH F2034      71.192 176.422  42.178  1.00 22.53           O  
-HETATM33766  O   HOH F2035      76.174 164.378  39.518  1.00 39.23           O  
-HETATM33767  O   HOH F2036      66.890 167.107  32.410  1.00 52.51           O  
-HETATM33768  O   HOH F2037      74.747 162.430  32.772  1.00 26.31           O  
-HETATM33769  O   HOH F2038      72.192 168.840  28.747  1.00 27.95           O  
-HETATM33770  O   HOH F2039      81.501 165.875  29.307  1.00 40.39           O  
-HETATM33771  O   HOH F2040      86.262 160.111  29.466  1.00 33.16           O  
-HETATM33772  O   HOH F2041      88.808 160.520  28.977  1.00 33.08           O  
-HETATM33773  O   HOH F2042      95.732 155.707  25.321  1.00 36.28           O  
-HETATM33774  O   HOH F2043      95.445 162.245  41.872  1.00 57.98           O  
-HETATM33775  O   HOH F2044      85.158 167.352  45.111  1.00 35.14           O  
-HETATM33776  O   HOH F2045      79.779 165.352  42.906  1.00 32.47           O  
-HETATM33777  O   HOH F2046      83.800 164.458  41.930  1.00 33.10           O  
-HETATM33778  O   HOH F2047      70.346 177.673  24.959  1.00 56.01           O  
-HETATM33779  O   HOH F2048      97.739 161.269  41.249  1.00 43.07           O  
-HETATM33780  O   HOH F2049      96.083 160.474  36.527  1.00 72.22           O  
-HETATM33781  O   HOH F2050      99.731 159.515  21.494  1.00 37.13           O  
-HETATM33782  O   HOH F2051     107.657 167.535  22.141  1.00 48.05           O  
-HETATM33783  O   HOH F2052      99.364 164.353  17.899  1.00 46.63           O  
-HETATM33784  O   HOH F2053     101.875 164.855  21.620  1.00 46.29           O  
-HETATM33785  O   HOH F2054      74.249 160.252  24.516  1.00 47.40           O  
-HETATM33786  O   HOH F2055      74.134 157.153  13.353  1.00 44.43           O  
-HETATM33787  O   HOH F2056      80.042 161.781   9.985  1.00 44.75           O  
-HETATM33788  O   HOH F2057      72.904 166.435  11.808  1.00 38.40           O  
-HETATM33789  O   HOH F2058      73.326 156.163   7.246  1.00 45.36           O  
-HETATM33790  O   HOH F2059      81.770 163.958  16.744  1.00 26.34           O  
-HETATM33791  O   HOH F2060      80.792 172.664  18.313  1.00 48.43           O  
-HETATM33792  O   HOH F2061      93.727 180.503  28.981  1.00 55.28           O  
-HETATM33793  O   HOH F2062      97.431 180.093  25.765  1.00 56.92           O  
-HETATM33794  O   HOH F2063      95.173 177.904  33.082  1.00 52.41           O  
-HETATM33795  O   HOH F2064      98.566 181.881  38.679  1.00 56.23           O  
-HETATM33796  O   HOH F2065     107.099 179.733  42.942  1.00 52.90           O  
-HETATM33797  O   HOH F2066      98.884 181.349  43.739  1.00 42.64           O  
-HETATM33798  O   HOH F2067     112.312 167.571  38.775  1.00 58.49           O  
-HETATM33799  O   HOH F2068     105.611 170.975  39.734  1.00 47.60           O  
-HETATM33800  O   HOH F2069      86.179 169.031  11.920  1.00 61.64           O  
-HETATM33801  O   HOH F2070      82.758 166.720  10.396  1.00 43.31           O  
-HETATM33802  O   HOH F2071      89.900 166.896   9.597  1.00 47.93           O  
-HETATM33803  O   HOH F2072      90.231 159.985   8.660  1.00 38.50           O  
-HETATM33804  O   HOH F2073      83.490 158.919   7.238  1.00 42.35           O  
-HETATM33805  O   HOH F2074      86.995 162.042   8.158  1.00 35.14           O  
-HETATM33806  O   HOH F2075      91.507 156.377  11.296  1.00 46.64           O  
-HETATM33807  O   HOH F2076      84.647 156.208  12.070  1.00 28.91           O  
-HETATM33808  O   HOH F2077      85.491 153.238   8.365  1.00 40.49           O  
-HETATM33809  O   HOH F2078      88.507 151.436  14.488  1.00 59.12           O  
-HETATM33810  O   HOH F2079      79.873 155.639  12.340  1.00 42.73           O  
-HETATM33811  O   HOH F2080      83.215 164.767  19.056  1.00 27.54           O  
-HETATM33812  O   HOH F2081      85.915 169.359  14.860  1.00 69.90           O  
-HETATM33813  O   HOH F2082      85.812 162.267  18.547  1.00 37.64           O  
-HETATM33814  O   HOH F2083      92.758 163.975  14.922  1.00 44.53           O  
-HETATM33815  O   HOH F2084     104.865 177.830  36.842  1.00 41.57           O  
-HETATM33816  O   HOH G2001      65.465 162.734  17.853  1.00 40.56           O  
-HETATM33817  O   HOH G2002      64.406 163.098  21.063  1.00 40.46           O  
-HETATM33818  O   HOH G2003      61.183 152.044  19.935  1.00 39.54           O  
-HETATM33819  O   HOH G2004      60.582 140.780  30.330  1.00 60.84           O  
-HETATM33820  O   HOH G2005      66.163 139.646  34.583  1.00 51.25           O  
-HETATM33821  O   HOH G2006      74.585 142.537  30.943  1.00 36.19           O  
-HETATM33822  O   HOH G2007      67.222 140.982  32.898  1.00 52.22           O  
-HETATM33823  O   HOH G2008      71.344 135.546  31.009  1.00 39.33           O  
-HETATM33824  O   HOH G2009      66.861 138.405  21.409  1.00 69.06           O  
-HETATM33825  O   HOH G2010      66.867 131.023  14.075  1.00 55.91           O  
-HETATM33826  O   HOH G2011      75.280 138.441  17.257  1.00 37.01           O  
-HETATM33827  O   HOH G2012      95.907 149.949  16.890  1.00 40.92           O  
-HETATM33828  O   HOH G2013      98.250 155.486  24.537  1.00 38.49           O  
-HETATM33829  O   HOH G2014     102.561 145.821  34.256  1.00 37.20           O  
-HETATM33830  O   HOH G2015     114.609 140.845  25.529  1.00 54.35           O  
-HETATM33831  O   HOH G2016     101.730 144.540  35.960  1.00 66.87           O  
-HETATM33832  O   HOH G2017     104.667 145.158  34.378  1.00 53.93           O  
-HETATM33833  O   HOH G2018      94.728 145.223  15.236  1.00 52.94           O  
-HETATM33834  O   HOH G2019      69.558 143.919  25.999  1.00 27.13           O  
-HETATM33835  O   HOH G2020      63.069 149.304  21.304  1.00 44.64           O  
-HETATM33836  O   HOH G2021      64.558 147.887  11.832  1.00 50.76           O  
-HETATM33837  O   HOH G2022      56.967 151.690   9.741  1.00 46.60           O  
-HETATM33838  O   HOH G2023      56.467 148.913   9.151  1.00 28.20           O  
-HETATM33839  O   HOH G2024      62.329 158.724   5.540  1.00 51.21           O  
-HETATM33840  O   HOH G2025      70.319 158.681  10.855  1.00 34.40           O  
-HETATM33841  O   HOH G2026      71.883 158.835  20.587  1.00 18.82           O  
-HETATM33842  O   HOH G2027      74.696 145.401  31.310  1.00 45.25           O  
-HETATM33843  O   HOH G2028      72.254 143.308  24.311  1.00 34.25           O  
-HETATM33844  O   HOH G2029      86.007 141.680  32.154  1.00 30.93           O  
-HETATM33845  O   HOH G2030      95.137 135.858  35.908  1.00 40.28           O  
-HETATM33846  O   HOH G2031      88.460 148.832  37.073  1.00 51.84           O  
-HETATM33847  O   HOH G2032      86.563 150.627  35.303  1.00 46.27           O  
-HETATM33848  O   HOH G2033      85.467 158.171  30.527  1.00 35.23           O  
-HETATM33849  O   HOH G2034      84.257 154.769  32.099  1.00 42.81           O  
-HETATM33850  O   HOH G2035      83.133 153.019  26.294  1.00 46.91           O  
-HETATM33851  O   HOH G2036      81.117 155.650  31.895  1.00 40.05           O  
-HETATM33852  O   HOH G2037      73.595 146.602  11.416  1.00 61.53           O  
-HETATM33853  O   HOH G2038      77.416 141.365  15.026  1.00 55.55           O  
-HETATM33854  O   HOH G2039      70.657 142.103  14.319  1.00 57.86           O  
-HETATM33855  O   HOH G2040      82.627 147.647  30.229  1.00 48.75           O  
-HETATM33856  O   HOH G2041      81.826 152.083  23.191  1.00 24.57           O  
-HETATM33857  O   HOH G2042      92.149 155.666  26.269  1.00 38.50           O  
-HETATM33858  O   HOH G2043     107.632 136.463  24.196  1.00 54.59           O  
-HETATM33859  O   HOH G2044     118.380 140.188  18.088  1.00 49.00           O  
-HETATM33860  O   HOH G2045      99.740 134.374  27.541  1.00 40.58           O  
-HETATM33861  O   HOH G2046     101.779 135.110  26.187  1.00 61.68           O  
-HETATM33862  O   HOH G2047      97.240 128.508  26.734  1.00 53.00           O  
-HETATM33863  O   HOH G2048      72.842 119.759  26.280  1.00 54.03           O  
-HETATM33864  O   HOH G2049      81.444 130.259  25.088  1.00 31.81           O  
-HETATM33865  O   HOH G2050      77.755 131.552  16.004  1.00 60.74           O  
-HETATM33866  O   HOH G2051      84.244 143.594  16.630  1.00 51.80           O  
-HETATM33867  O   HOH G2052      96.064 146.851  16.479  1.00 40.65           O  
-HETATM33868  O   HOH G2053      97.251 156.718  19.679  1.00 36.40           O  
-HETATM33869  O   HOH G2054     105.378 152.876  19.036  1.00 36.22           O  
-HETATM33870  O   HOH G2055      91.395 122.283  30.631  1.00 44.08           O  
-HETATM33871  O   HOH G2056      88.268 122.391  38.090  1.00 63.88           O  
-HETATM33872  O   HOH G2057      83.934 123.271  30.709  1.00 42.12           O  
-HETATM33873  O   HOH G2058      79.192 123.967  31.411  1.00 55.77           O  
-HETATM33874  O   HOH G2059      83.049 132.247  25.279  1.00 44.01           O  
-HETATM33875  O   HOH G2060      96.735 133.978  19.000  1.00 44.49           O  
-HETATM33876  O   HOH G2061     113.450 152.255  28.219  1.00 60.92           O  
-HETATM33877  O   HOH G2062     113.523 149.918  17.112  1.00 49.86           O  
-HETATM33878  O   HOH H2001      71.077 130.028  30.062  1.00 38.05           O  
-HETATM33879  O   HOH H2002      58.895 135.089  28.392  1.00 48.49           O  
-HETATM33880  O   HOH H2003      62.839 130.600  37.654  1.00 49.81           O  
-HETATM33881  O   HOH H2004      60.409 129.846  36.857  1.00 54.59           O  
-HETATM33882  O   HOH H2005      59.860 131.218  41.584  1.00 55.93           O  
-HETATM33883  O   HOH H2006      66.352 138.903  52.151  1.00 55.39           O  
-HETATM33884  O   HOH H2007      74.033 137.068  49.586  1.00 43.17           O  
-HETATM33885  O   HOH H2008      70.571 134.902  56.184  1.00 47.18           O  
-HETATM33886  O   HOH H2009      66.224 129.779  55.491  1.00 62.87           O  
-HETATM33887  O   HOH H2010      76.840 139.368  46.799  1.00 42.25           O  
-HETATM33888  O   HOH H2011     109.726 133.610  55.252  1.00 50.19           O  
-HETATM33889  O   HOH H2012     101.403 142.183  49.885  1.00 45.30           O  
-HETATM33890  O   HOH H2013      88.394 135.602  48.537  1.00 42.32           O  
-HETATM33891  O   HOH H2014      68.983 132.739  46.448  1.00 40.41           O  
-HETATM33892  O   HOH H2015      60.511 128.582  40.398  1.00 45.66           O  
-HETATM33893  O   HOH H2016      56.590 118.587  37.083  1.00 58.31           O  
-HETATM33894  O   HOH H2017      55.648 120.028  35.404  1.00 38.42           O  
-HETATM33895  O   HOH H2018      55.822 117.509  29.508  1.00 39.18           O  
-HETATM33896  O   HOH H2019      59.898 123.331  31.725  1.00 35.40           O  
-HETATM33897  O   HOH H2020      76.605 122.099  34.647  1.00 58.05           O  
-HETATM33898  O   HOH H2021      71.463 132.714  30.941  1.00 17.87           O  
-HETATM33899  O   HOH H2022      74.475 138.565  47.020  1.00 29.26           O  
-HETATM33900  O   HOH H2023      80.742 134.292  48.052  1.00 43.50           O  
-HETATM33901  O   HOH H2024      85.587 137.492  51.281  1.00 36.42           O  
-HETATM33902  O   HOH H2025      88.191 137.595  51.904  1.00 34.91           O  
-HETATM33903  O   HOH H2026      89.886 138.844  55.662  1.00 54.28           O  
-HETATM33904  O   HOH H2027      84.748 130.486  59.662  1.00 50.59           O  
-HETATM33905  O   HOH H2028      94.762 139.154  57.866  1.00 44.56           O  
-HETATM33906  O   HOH H2029      95.891 144.166  41.303  1.00 71.36           O  
-HETATM33907  O   HOH H2030      84.438 142.064  38.833  1.00 45.36           O  
-HETATM33908  O   HOH H2031      83.011 135.736  38.395  1.00 36.05           O  
-HETATM33909  O   HOH H2032      80.413 141.951  37.455  1.00 35.40           O  
-HETATM33910  O   HOH H2033      76.510 121.657  46.331  1.00 55.89           O  
-HETATM33911  O   HOH H2034      82.161 138.067  44.553  1.00 51.60           O  
-HETATM33912  O   HOH H2035     101.457 129.881  55.804  1.00 50.96           O  
-HETATM33913  O   HOH H2036     117.376 133.622  46.734  1.00 17.02           O  
-HETATM33914  O   HOH H2037     115.389 122.059  50.479  1.00 47.56           O  
-HETATM33915  O   HOH H2038     106.809 128.048  53.838  1.00 34.29           O  
-HETATM33916  O   HOH H2039      99.119 131.093  56.691  1.00 38.43           O  
-HETATM33917  O   HOH H2040      97.133 127.539  58.779  1.00 62.92           O  
-HETATM33918  O   HOH H2041      92.747 133.234  62.349  1.00 43.11           O  
-HETATM33919  O   HOH H2042      80.678 127.880  59.692  1.00 36.85           O  
-HETATM33920  O   HOH H2043      73.170 135.464  55.316  1.00 34.59           O  
-HETATM33921  O   HOH H2044      72.678 131.195  66.391  1.00 40.23           O  
-HETATM33922  O   HOH H2045      71.991 124.221  68.698  1.00 65.85           O  
-HETATM33923  O   HOH H2046      79.934 121.461  53.091  1.00 40.82           O  
-HETATM33924  O   HOH H2047     103.416 124.943  38.349  1.00 55.95           O  
-HETATM33925  O   HOH H2048      98.719 127.987  31.539  1.00 43.95           O  
-HETATM33926  O   HOH H2049     108.340 138.065  43.933  1.00 36.29           O  
-HETATM33927  O   HOH H2050     104.811 128.692  36.133  1.00 30.56           O  
-HETATM33928  O   HOH H2051     100.367 121.296  50.309  1.00 43.42           O  
-HETATM33929  O   HOH H2052      90.629 118.336  58.390  1.00 63.93           O  
-HETATM33930  O   HOH H2053      90.595 130.533  68.377  1.00 59.25           O  
-HETATM33931  O   HOH H2054      86.577 136.538  68.047  1.00 59.97           O  
-HETATM33932  O   HOH H2055      78.457 125.835  66.900  1.00 40.92           O  
-HETATM33933  O   HOH H2056      83.387 131.132  67.726  1.00 48.99           O  
-HETATM33934  O   HOH H2057      78.401 132.060  67.945  1.00 53.98           O  
-HETATM33935  O   HOH H2058      82.446 128.462  57.284  1.00 39.87           O  
-HETATM33936  O   HOH H2059      91.484 126.697  60.779  1.00 45.54           O  
-HETATM33937  O   HOH H2060     115.839 133.417  40.098  1.00 38.62           O  
-HETATM33938  O   HOH I2001      54.737 134.342  68.032  1.00 45.55           O  
-HETATM33939  O   HOH I2002      71.134 128.481  63.925  1.00 36.15           O  
-HETATM33940  O   HOH I2003      64.155 129.244  58.727  1.00 55.05           O  
-HETATM33941  O   HOH I2004      62.423 140.347  62.566  1.00 36.67           O  
-HETATM33942  O   HOH I2005      62.848 151.198  57.559  1.00 51.63           O  
-HETATM33943  O   HOH I2006      66.347 157.636  58.961  1.00 50.78           O  
-HETATM33944  O   HOH I2007      71.094 159.454  60.288  1.00 43.87           O  
-HETATM33945  O   HOH I2008      66.334 155.264  58.639  1.00 44.41           O  
-HETATM33946  O   HOH I2009      65.966 156.494  69.052  1.00 57.33           O  
-HETATM33947  O   HOH I2010      70.313 158.900  64.226  1.00 34.76           O  
-HETATM33948  O   HOH I2011      58.307 140.473  64.765  1.00 37.59           O  
-HETATM33949  O   HOH I2012      62.182 148.480  74.635  1.00 46.39           O  
-HETATM33950  O   HOH I2013      73.812 149.013  73.873  1.00 26.79           O  
-HETATM33951  O   HOH I2014      96.977 136.118  59.486  1.00 40.84           O  
-HETATM33952  O   HOH I2015      83.202 144.478  71.378  1.00 52.33           O  
-HETATM33953  O   HOH I2016      80.472 162.575  80.689  1.00 32.47           O  
-HETATM33954  O   HOH I2017      68.500 149.154  63.261  1.00 32.87           O  
-HETATM33955  O   HOH I2018      66.438 148.150  76.352  1.00 49.50           O  
-HETATM33956  O   HOH I2019      67.579 149.609  72.140  1.00 51.61           O  
-HETATM33957  O   HOH I2020      62.854 145.499  62.972  1.00 45.29           O  
-HETATM33958  O   HOH I2021      62.666 142.702  63.566  1.00 39.17           O  
-HETATM33959  O   HOH I2022      59.941 142.131  65.132  1.00 53.64           O  
-HETATM33960  O   HOH I2023      57.880 139.510  67.337  1.00 43.35           O  
-HETATM33961  O   HOH I2024      58.626 132.953  68.152  1.00 38.75           O  
-HETATM33962  O   HOH I2025      76.398 134.819  70.019  1.00 43.38           O  
-HETATM33963  O   HOH I2026      70.716 134.551  58.824  1.00 36.74           O  
-HETATM33964  O   HOH I2027      72.443 138.192  55.067  1.00 46.62           O  
-HETATM33965  O   HOH I2028      73.995 151.370  57.999  1.00 35.65           O  
-HETATM33966  O   HOH I2029      71.418 148.573  64.938  1.00 25.22           O  
-HETATM33967  O   HOH I2030      73.993 153.216  60.111  1.00 34.51           O  
-HETATM33968  O   HOH I2031      80.643 150.967  62.830  1.00 47.74           O  
-HETATM33969  O   HOH I2032      85.486 154.854  60.310  1.00 31.83           O  
-HETATM33970  O   HOH I2033      88.080 155.265  60.668  1.00 33.33           O  
-HETATM33971  O   HOH I2034      89.497 158.612  60.453  1.00 36.93           O  
-HETATM33972  O   HOH I2035      92.154 162.165  61.727  1.00 36.18           O  
-HETATM33973  O   HOH I2036      94.603 161.336  61.132  1.00 39.11           O  
-HETATM33974  O   HOH I2037      83.695 144.167  52.394  1.00 48.84           O  
-HETATM33975  O   HOH I2038      82.254 142.223  58.462  1.00 43.13           O  
-HETATM33976  O   HOH I2039      79.967 143.211  51.577  1.00 52.12           O  
-HETATM33977  O   HOH I2040      80.752 141.263  61.130  1.00 38.41           O  
-HETATM33978  O   HOH I2041      76.403 145.512  74.073  1.00 50.87           O  
-HETATM33979  O   HOH I2042      69.324 144.069  73.085  1.00 51.99           O  
-HETATM33980  O   HOH I2043      91.578 139.581  57.336  1.00 33.65           O  
-HETATM33981  O   HOH I2044      89.478 156.566  59.102  1.00 44.12           O  
-HETATM33982  O   HOH I2045     103.389 152.395  57.097  1.00 57.60           O  
-HETATM33983  O   HOH I2046     100.852 156.360  69.594  1.00 49.44           O  
-HETATM33984  O   HOH I2047      97.941 159.055  72.498  1.00 64.53           O  
-HETATM33985  O   HOH I2048      76.529 164.999  68.552  1.00 48.04           O  
-HETATM33986  O   HOH I2049      80.262 160.163  72.224  1.00 30.75           O  
-HETATM33987  O   HOH I2050      73.340 158.020  63.329  1.00 36.43           O  
-HETATM33988  O   HOH I2051      72.667 167.480  70.761  1.00 43.04           O  
-HETATM33989  O   HOH I2052      71.112 163.447  78.439  1.00 47.98           O  
-HETATM33990  O   HOH I2053      91.316 135.174  74.626  1.00 62.97           O  
-HETATM33991  O   HOH I2054      92.970 141.501  72.355  1.00 52.21           O  
-HETATM33992  O   HOH I2055      94.580 141.629  70.362  1.00 45.25           O  
-HETATM33993  O   HOH I2056     104.187 136.751  64.493  1.00 49.01           O  
-HETATM33994  O   HOH I2057      98.960 134.956  58.755  1.00 48.00           O  
-HETATM33995  O   HOH I2058      98.942 131.910  62.154  1.00 53.11           O  
-HETATM33996  O   HOH I2059     112.014 143.428  58.080  1.00 69.76           O  
-HETATM33997  O   HOH I2060      81.634 161.049  79.178  1.00 39.68           O  
-HETATM33998  O   HOH I2061      88.186 168.057  77.136  1.00 37.54           O  
-HETATM33999  O   HOH I2062      85.432 167.266  78.193  1.00 42.15           O  
-HETATM34000  O   HOH I2063      83.486 171.678  78.383  1.00 48.99           O  
-HETATM34001  O   HOH I2064      83.076 168.770  71.483  1.00 35.86           O  
-HETATM34002  O   HOH I2065      78.353 169.976  67.462  1.00 56.07           O  
-HETATM34003  O   HOH I2066      78.337 158.516  78.161  1.00 35.46           O  
-HETATM34004  O   HOH I2067      82.107 157.988  70.848  1.00 31.14           O  
-HETATM34005  O   HOH I2068      91.574 160.401  73.939  1.00 44.88           O  
-HETATM34006  O   HOH I2069      95.760 155.643  76.018  1.00 46.44           O  
-HETATM34007  O   HOH I2070      95.519 153.129  75.726  1.00 42.56           O  
-HETATM34008  O   HOH I2071      80.911 165.633  60.225  1.00 34.69           O  
-HETATM34009  O   HOH J2001      64.336 159.602  70.057  1.00 43.88           O  
-HETATM34010  O   HOH J2002      70.041 162.845  67.579  1.00 52.32           O  
-HETATM34011  O   HOH J2003      59.986 167.228  62.160  1.00 39.04           O  
-HETATM34012  O   HOH J2004      65.567 169.086  43.099  1.00 43.36           O  
-HETATM34013  O   HOH J2005      66.023 169.915  51.835  1.00 55.32           O  
-HETATM34014  O   HOH J2006      74.149 168.612  48.078  1.00 30.64           O  
-HETATM34015  O   HOH J2007      66.597 167.925  45.221  1.00 33.02           O  
-HETATM34016  O   HOH J2008      69.162 183.912  55.419  1.00 55.64           O  
-HETATM34017  O   HOH J2009      62.343 183.113  50.381  1.00 65.18           O  
-HETATM34018  O   HOH J2010      95.221 178.214  43.533  1.00 48.13           O  
-HETATM34019  O   HOH J2011      97.346 174.801  41.576  1.00 32.07           O  
-HETATM34020  O   HOH J2012      74.333 180.035  56.878  1.00 40.22           O  
-HETATM34021  O   HOH J2013      73.191 181.902  55.320  1.00 36.49           O  
-HETATM34022  O   HOH J2014      75.681 173.053  64.189  1.00 41.74           O  
-HETATM34023  O   HOH J2015     102.045 163.882  47.757  1.00 55.82           O  
-HETATM34024  O   HOH J2016     108.967 163.277  49.057  1.00 50.37           O  
-HETATM34025  O   HOH J2017     101.426 164.559  45.318  1.00 58.20           O  
-HETATM34026  O   HOH J2018      68.920 170.350  52.907  1.00 36.52           O  
-HETATM34027  O   HOH J2019      67.748 178.547  54.861  1.00 36.58           O  
-HETATM34028  O   HOH J2020      58.307 171.336  63.339  1.00 40.85           O  
-HETATM34029  O   HOH J2021      63.540 166.817  74.514  1.00 45.32           O  
-HETATM34030  O   HOH J2022      58.859 169.687  70.008  1.00 55.22           O  
-HETATM34031  O   HOH J2023      67.951 167.607  73.075  1.00 47.12           O  
-HETATM34032  O   HOH J2024      70.680 161.278  65.577  1.00 17.71           O  
-HETATM34033  O   HOH J2025      73.336 157.997  52.116  1.00 50.93           O  
-HETATM34034  O   HOH J2026      71.596 171.634  54.228  1.00 28.30           O  
-HETATM34035  O   HOH J2027      80.938 170.885  51.692  1.00 54.59           O  
-HETATM34036  O   HOH J2028      85.609 168.943  47.064  1.00 39.66           O  
-HETATM34037  O   HOH J2029      89.911 170.382  43.144  1.00 39.84           O  
-HETATM34038  O   HOH J2030      94.409 176.905  41.545  1.00 37.31           O  
-HETATM34039  O   HOH J2031      85.112 179.784  44.586  1.00 31.32           O  
-HETATM34040  O   HOH J2032      91.770 170.281  41.557  1.00 34.28           O  
-HETATM34041  O   HOH J2033      95.294 171.348  40.556  1.00 42.65           O  
-HETATM34042  O   HOH J2034      85.776 159.807  49.532  1.00 38.25           O  
-HETATM34043  O   HOH J2035      83.968 158.236  54.433  1.00 45.90           O  
-HETATM34044  O   HOH J2036      82.774 162.911  58.020  1.00 39.36           O  
-HETATM34045  O   HOH J2037      79.692 157.346  55.654  1.00 30.83           O  
-HETATM34046  O   HOH J2038      72.467 176.779  66.247  1.00 50.50           O  
-HETATM34047  O   HOH J2039      76.046 174.731  62.420  1.00 58.74           O  
-HETATM34048  O   HOH J2040      82.362 165.021  51.823  1.00 39.59           O  
-HETATM34049  O   HOH J2041      91.347 160.936  59.994  1.00 47.33           O  
-HETATM34050  O   HOH J2042     103.370 172.183  42.456  1.00 43.65           O  
-HETATM34051  O   HOH J2043      99.059 175.839  43.420  1.00 40.10           O  
-HETATM34052  O   HOH J2044     113.715 173.923  53.040  1.00 44.27           O  
-HETATM34053  O   HOH J2045     114.485 179.847  58.550  1.00 47.18           O  
-HETATM34054  O   HOH J2046     107.248 180.746  55.309  1.00 39.57           O  
-HETATM34055  O   HOH J2047     106.824 178.346  51.381  1.00 37.78           O  
-HETATM34056  O   HOH J2048      97.452 183.978  44.324  1.00 55.53           O  
-HETATM34057  O   HOH J2049      93.026 179.585  40.957  1.00 42.00           O  
-HETATM34058  O   HOH J2050      73.639 173.359  44.648  1.00 32.75           O  
-HETATM34059  O   HOH J2051      80.918 182.154  45.781  1.00 25.24           O  
-HETATM34060  O   HOH J2052      73.385 183.623  38.369  1.00 38.86           O  
-HETATM34061  O   HOH J2053      72.108 184.492  42.244  1.00 54.88           O  
-HETATM34062  O   HOH J2054      89.018 179.933  61.519  1.00 57.47           O  
-HETATM34063  O   HOH J2055      83.896 176.424  60.181  1.00 43.71           O  
-HETATM34064  O   HOH J2056      92.307 183.499  67.754  1.00 63.30           O  
-HETATM34065  O   HOH J2057      93.741 174.738  63.474  1.00 63.35           O  
-HETATM34066  O   HOH J2058     104.245 167.169  65.547  1.00 35.05           O  
-HETATM34067  O   HOH J2059      96.950 161.968  64.739  1.00 33.12           O  
-HETATM34068  O   HOH J2060      98.585 160.715  66.155  1.00 48.23           O  
-HETATM34069  O   HOH J2061      98.135 163.783  69.190  1.00 44.08           O  
-HETATM34070  O   HOH J2062     102.468 171.423  65.694  1.00 52.80           O  
-HETATM34071  O   HOH J2063      89.714 187.383  54.786  1.00 51.85           O  
-HETATM34072  O   HOH J2064      87.350 181.697  43.857  1.00 46.43           O  
-HETATM34073  O   HOH J2065      87.898 180.639  33.609  1.00 62.17           O  
-HETATM34074  O   HOH J2066      78.555 183.951  36.320  1.00 43.31           O  
-HETATM34075  O   HOH J2067      82.663 180.412  47.265  1.00 36.37           O  
-HETATM34076  O   HOH J2068      92.101 183.949  45.380  1.00 54.91           O  
-HETATM34077  O   HOH J2069      96.435 184.066  51.391  1.00 35.50           O  
-HETATM34078  O   HOH J2070      81.488 172.330  36.745  1.00 28.89           O  
-HETATM34079  O   HOH K2001      59.226  -5.405  29.344  1.00 44.35           O  
-HETATM34080  O   HOH K2002      70.259  -6.278  20.662  1.00 37.14           O  
-HETATM34081  O   HOH K2003      56.166  -1.090  20.594  1.00 43.68           O  
-HETATM34082  O   HOH K2004      56.000   5.737  22.623  1.00 83.65           O  
-HETATM34083  O   HOH K2005      60.458  -5.179  27.220  1.00 48.51           O  
-HETATM34084  O   HOH K2006      59.227  -2.388  32.421  1.00 50.80           O  
-HETATM34085  O   HOH K2007      60.232   6.520  39.079  1.00 70.07           O  
-HETATM34086  O   HOH K2008      59.672   3.797  39.950  1.00 43.32           O  
-HETATM34087  O   HOH K2009      66.081   7.291  39.769  1.00 44.11           O  
-HETATM34088  O   HOH K2010      69.969   3.814  45.739  1.00 40.84           O  
-HETATM34089  O   HOH K2011      63.144 -12.072  41.216  1.00 54.62           O  
-HETATM34090  O   HOH K2012      60.264 -11.054  47.133  1.00 56.35           O  
-HETATM34091  O   HOH K2013      73.838  -9.267  41.197  1.00 37.00           O  
-HETATM34092  O   HOH K2014     108.181   1.486  48.035  1.00 46.84           O  
-HETATM34093  O   HOH K2015     102.451   6.629  45.820  1.00 40.10           O  
-HETATM34094  O   HOH K2016     101.288   9.442  38.182  1.00 51.83           O  
-HETATM34095  O   HOH K2017      96.903  -7.328  22.233  1.00 48.43           O  
-HETATM34096  O   HOH K2018      70.542  -7.469  42.198  1.00 58.97           O  
-HETATM34097  O   HOH K2019      68.432  -0.265  36.359  1.00 33.16           O  
-HETATM34098  O   HOH K2020      70.817  -1.622  36.986  1.00 35.68           O  
-HETATM34099  O   HOH K2021      67.345  -7.073  40.956  1.00 61.57           O  
-HETATM34100  O   HOH K2022      76.116   3.069  58.522  1.00 61.31           O  
-HETATM34101  O   HOH K2023      71.140  -3.541  20.961  1.00 24.65           O  
-HETATM34102  O   HOH K2024      73.934   4.442  38.733  1.00 42.28           O  
-HETATM34103  O   HOH K2025      82.013   4.212  39.567  1.00 35.24           O  
-HETATM34104  O   HOH K2026      87.952   5.350  40.843  1.00 36.89           O  
-HETATM34105  O   HOH K2027      94.273   8.575  46.811  1.00 46.74           O  
-HETATM34106  O   HOH K2028      85.780   9.588  31.545  1.00 41.36           O  
-HETATM34107  O   HOH K2029      82.127   0.754  28.133  1.00 54.63           O  
-HETATM34108  O   HOH K2030      79.787   7.042  25.445  1.00 40.06           O  
-HETATM34109  O   HOH K2031      82.536  10.813  30.978  1.00 65.80           O  
-HETATM34110  O   HOH K2032      75.784   6.375  28.402  1.00 37.97           O  
-HETATM34111  O   HOH K2033      81.921   4.505  33.433  1.00 36.08           O  
-HETATM34112  O   HOH K2034     106.640  -3.737  44.514  1.00 43.46           O  
-HETATM34113  O   HOH K2035     113.841 -10.430  42.032  1.00 68.79           O  
-HETATM34114  O   HOH K2036      98.614  -0.345  47.074  1.00 49.50           O  
-HETATM34115  O   HOH K2037      98.749  -2.966  50.006  1.00 61.96           O  
-HETATM34116  O   HOH K2038      84.205  -0.182  49.309  1.00 37.85           O  
-HETATM34117  O   HOH K2039      73.161   4.287  44.345  1.00 33.52           O  
-HETATM34118  O   HOH K2040      77.727  -8.615  51.733  1.00 40.53           O  
-HETATM34119  O   HOH K2041      79.961  -2.992  50.454  1.00 38.47           O  
-HETATM34120  O   HOH K2042      79.442 -10.200  44.730  1.00 41.88           O  
-HETATM34121  O   HOH K2043      85.436 -16.603  36.460  1.00 68.05           O  
-HETATM34122  O   HOH K2044      95.047  -9.197  33.118  1.00 36.67           O  
-HETATM34123  O   HOH K2045     102.601  -9.708  29.671  1.00 37.81           O  
-HETATM34124  O   HOH K2046     104.534  -6.619  26.758  1.00 41.49           O  
-HETATM34125  O   HOH K2047      98.834  -2.368  22.072  1.00 45.52           O  
-HETATM34126  O   HOH K2048      99.287  -6.838  19.720  1.00 53.57           O  
-HETATM34127  O   HOH K2049      99.500  -7.504  22.144  1.00 50.37           O  
-HETATM34128  O   HOH K2050      99.390  -6.034  15.872  1.00 51.20           O  
-HETATM34129  O   HOH K2051      84.760  -5.199  59.276  1.00 46.84           O  
-HETATM34130  O   HOH K2052      85.831   6.664  57.026  1.00 77.83           O  
-HETATM34131  O   HOH K2053      78.507   3.076  57.369  1.00 79.88           O  
-HETATM34132  O   HOH K2054      81.607  -2.642  47.727  1.00 53.16           O  
-HETATM34133  O   HOH K2055      80.334  10.369  49.417  1.00 37.51           O  
-HETATM34134  O   HOH L2001      58.889  -2.396  53.234  1.00 37.05           O  
-HETATM34135  O   HOH L2002      62.811   0.285  45.896  1.00 46.87           O  
-HETATM34136  O   HOH L2003      56.570   8.835  39.092  1.00 51.83           O  
-HETATM34137  O   HOH L2004      73.371  22.968  46.176  1.00 44.74           O  
-HETATM34138  O   HOH L2005      65.991  25.217  44.439  1.00 47.33           O  
-HETATM34139  O   HOH L2006      66.021  29.508  54.665  1.00 82.80           O  
-HETATM34140  O   HOH L2007      64.225  29.645  57.843  1.00 61.24           O  
-HETATM34141  O   HOH L2008      77.003  18.553  61.234  1.00 47.69           O  
-HETATM34142  O   HOH L2009      96.473   7.678  47.264  1.00 39.70           O  
-HETATM34143  O   HOH L2010      96.173  18.180  41.307  1.00 54.10           O  
-HETATM34144  O   HOH L2011      73.334  20.575  60.184  1.00 33.66           O  
-HETATM34145  O   HOH L2012      68.125  19.362  49.762  1.00 33.54           O  
-HETATM34146  O   HOH L2013      67.148  21.569  57.947  1.00 65.35           O  
-HETATM34147  O   HOH L2014      58.415   3.658  57.296  1.00 42.46           O  
-HETATM34148  O   HOH L2015      67.962   0.163  57.143  1.00 57.09           O  
-HETATM34149  O   HOH L2016      70.208   3.545  48.283  1.00 28.24           O  
-HETATM34150  O   HOH L2017      72.078  20.580  41.536  1.00 60.15           O  
-HETATM34151  O   HOH L2018      73.471  20.655  45.025  1.00 33.65           O  
-HETATM34152  O   HOH L2019      81.597  22.882  47.354  1.00 37.15           O  
-HETATM34153  O   HOH L2020      87.648  24.646  46.884  1.00 31.37           O  
-HETATM34154  O   HOH L2021      94.494  13.943  38.655  1.00 60.62           O  
-HETATM34155  O   HOH L2022      81.673  11.098  46.614  1.00 36.32           O  
-HETATM34156  O   HOH L2023      74.924  13.024  40.869  1.00 40.98           O  
-HETATM34157  O   HOH L2024     102.489  29.776  46.889  1.00 32.77           O  
-HETATM34158  O   HOH L2025     100.525  27.084  54.816  1.00 38.01           O  
-HETATM34159  O   HOH L2026     109.076  26.236  58.398  1.00 45.60           O  
-HETATM34160  O   HOH L2027     105.891  24.865  56.480  1.00 50.89           O  
-HETATM34161  O   HOH L2028      83.872  31.257  54.252  1.00 44.05           O  
-HETATM34162  O   HOH L2029      72.952  28.000  48.543  1.00 31.02           O  
-HETATM34163  O   HOH L2030      79.659  31.274  56.884  1.00 38.33           O  
-HETATM34164  O   HOH L2031      90.826  11.976  62.815  1.00 68.24           O  
-HETATM34165  O   HOH L2032      92.082  11.151  60.704  1.00 60.24           O  
-HETATM34166  O   HOH L2033      93.265  13.703  60.626  1.00 51.65           O  
-HETATM34167  O   HOH L2034     110.838   9.874  51.101  1.00 46.17           O  
-HETATM34168  O   HOH L2035      82.474  40.201  54.208  1.00 52.31           O  
-HETATM34169  O   HOH L2036      77.944  40.469  54.042  1.00 61.55           O  
-HETATM34170  O   HOH L2037      81.477  29.199  55.976  1.00 42.22           O  
-HETATM34171  O   HOH L2038      95.301  27.441  61.816  1.00 43.51           O  
-HETATM34172  O   HOH L2039      94.974  25.139  61.339  1.00 37.72           O  
-HETATM34173  O   HOH L2040     107.573   3.488  54.046  1.00 51.77           O  
-HETATM34174  O   HOH L2041      80.394  34.862  44.240  1.00 27.77           O  
-HETATM34175  O   HOH M2001      55.006  36.942  59.021  1.00 52.67           O  
-HETATM34176  O   HOH M2002      57.781  38.874  45.077  1.00 50.01           O  
-HETATM34177  O   HOH M2003      61.878  37.323  43.278  1.00 56.05           O  
-HETATM34178  O   HOH M2004      63.749  31.214  55.326  1.00 47.62           O  
-HETATM34179  O   HOH M2005      63.114  28.542  52.599  1.00 44.89           O  
-HETATM34180  O   HOH M2006      60.013  37.276  45.727  1.00 54.88           O  
-HETATM34181  O   HOH M2007      60.465  37.685  30.617  1.00 57.03           O  
-HETATM34182  O   HOH M2008      73.677  35.595  31.572  1.00 33.42           O  
-HETATM34183  O   HOH M2009      70.666  40.222  26.178  1.00 39.92           O  
-HETATM34184  O   HOH M2010      65.804  33.149  29.362  1.00 68.90           O  
-HETATM34185  O   HOH M2011      71.973  37.297  25.833  1.00 34.97           O  
-HETATM34186  O   HOH M2012      67.081  40.045  33.094  1.00 34.15           O  
-HETATM34187  O   HOH M2013      66.093  44.645  28.411  1.00 42.52           O  
-HETATM34188  O   HOH M2014      70.173  50.157  33.170  1.00 50.85           O  
-HETATM34189  O   HOH M2015      95.098  43.912  25.817  1.00 26.18           O  
-HETATM34190  O   HOH M2016      96.725  40.211  23.821  1.00 40.93           O  
-HETATM34191  O   HOH M2017      73.819  48.541  37.437  1.00 37.50           O  
-HETATM34192  O   HOH M2018      72.606  49.967  35.832  1.00 34.96           O  
-HETATM34193  O   HOH M2019      77.933  49.747  38.986  1.00 37.03           O  
-HETATM34194  O   HOH M2020      94.037  40.941  47.509  1.00 45.80           O  
-HETATM34195  O   HOH M2021      96.703  31.490  46.273  1.00 43.90           O  
-HETATM34196  O   HOH M2022      96.842  44.944  22.286  1.00 57.43           O  
-HETATM34197  O   HOH M2023     101.320  30.630  30.290  1.00 46.58           O  
-HETATM34198  O   HOH M2024      93.364  45.951  44.688  1.00 47.39           O  
-HETATM34199  O   HOH M2025      86.061  44.509  47.831  1.00 70.98           O  
-HETATM34200  O   HOH M2026      68.739  38.395  36.303  1.00 34.68           O  
-HETATM34201  O   HOH M2027      67.590  46.824  36.231  1.00 52.52           O  
-HETATM34202  O   HOH M2028      57.882  41.391  46.111  1.00 55.16           O  
-HETATM34203  O   HOH M2029      69.120  39.923  56.679  1.00 51.65           O  
-HETATM34204  O   HOH M2030      72.443  39.363  53.917  1.00 54.48           O  
-HETATM34205  O   HOH M2031      70.091  31.931  50.019  1.00 29.74           O  
-HETATM34206  O   HOH M2032      75.351  28.173  38.256  1.00 52.67           O  
-HETATM34207  O   HOH M2033      73.721  33.068  33.294  1.00 45.40           O  
-HETATM34208  O   HOH M2034      71.197  39.633  36.876  1.00 34.15           O  
-HETATM34209  O   HOH M2035      80.541  37.389  33.974  1.00 51.15           O  
-HETATM34210  O   HOH M2036      89.561  36.428  26.378  1.00 34.57           O  
-HETATM34211  O   HOH M2037      88.305  35.833  30.036  1.00 30.39           O  
-HETATM34212  O   HOH M2038      94.320  41.768  23.595  1.00 50.96           O  
-HETATM34213  O   HOH M2039      92.031  37.568  23.193  1.00 42.32           O  
-HETATM34214  O   HOH M2040      84.838  45.483  25.929  1.00 21.23           O  
-HETATM34215  O   HOH M2041      94.624  36.941  23.772  1.00 33.94           O  
-HETATM34216  O   HOH M2042      83.620  26.265  39.722  1.00 37.30           O  
-HETATM34217  O   HOH M2043      82.004  32.165  42.954  1.00 42.02           O  
-HETATM34218  O   HOH M2044      79.116  26.162  41.178  1.00 44.90           O  
-HETATM34219  O   HOH M2045      71.561  47.115  48.084  1.00 50.09           O  
-HETATM34220  O   HOH M2046      99.111  24.617  39.615  1.00 44.17           O  
-HETATM34221  O   HOH M2047     117.235  38.585  38.370  1.00 43.33           O  
-HETATM34222  O   HOH M2048     113.525  40.991  35.896  1.00 47.79           O  
-HETATM34223  O   HOH M2049     113.236  41.129  42.657  1.00 46.26           O  
-HETATM34224  O   HOH M2050     106.580  45.339  33.192  1.00 48.70           O  
-HETATM34225  O   HOH M2051      98.847  43.512  28.726  1.00 49.12           O  
-HETATM34226  O   HOH M2052      95.296  46.421  24.802  1.00 35.92           O  
-HETATM34227  O   HOH M2053     101.123  44.521  30.259  1.00 45.91           O  
-HETATM34228  O   HOH M2054      95.149  46.110  27.330  1.00 67.36           O  
-HETATM34229  O   HOH M2055      92.456  44.040  22.900  1.00 35.73           O  
-HETATM34230  O   HOH M2056      73.622  39.469  27.210  1.00 48.30           O  
-HETATM34231  O   HOH M2057      71.566  49.741  22.556  1.00 38.32           O  
-HETATM34232  O   HOH M2058      80.820  48.181  26.762  1.00 33.17           O  
-HETATM34233  O   HOH M2059      79.649  50.891  35.125  1.00 43.95           O  
-HETATM34234  O   HOH M2060      83.132  55.440  34.498  1.00 64.35           O  
-HETATM34235  O   HOH M2061      85.079  55.474  43.786  1.00 50.68           O  
-HETATM34236  O   HOH M2062      94.322  43.303  44.618  1.00 37.10           O  
-HETATM34237  O   HOH M2063      98.237  30.737  50.169  1.00 43.19           O  
-HETATM34238  O   HOH M2064      93.821  53.665  40.172  1.00 56.79           O  
-HETATM34239  O   HOH M2065      91.285  46.203  40.239  1.00 52.92           O  
-HETATM34240  O   HOH M2066      89.116  47.689  38.950  1.00 53.19           O  
-HETATM34241  O   HOH M2067      89.848  56.099  34.035  1.00 32.70           O  
-HETATM34242  O   HOH M2068      88.894  55.104  21.065  1.00 33.94           O  
-HETATM34243  O   HOH M2069      90.867  48.010  19.379  1.00 37.21           O  
-HETATM34244  O   HOH M2070      87.131  50.255  13.926  1.00 31.61           O  
-HETATM34245  O   HOH M2071      87.304  43.173  14.130  1.00 43.87           O  
-HETATM34246  O   HOH M2072      84.771  50.426  13.589  1.00 38.91           O  
-HETATM34247  O   HOH M2073      82.821  52.859  13.764  1.00 29.11           O  
-HETATM34248  O   HOH M2074      83.487  48.629  17.406  1.00 27.39           O  
-HETATM34249  O   HOH M2075      78.080  44.080  19.409  1.00 44.31           O  
-HETATM34250  O   HOH M2076      79.293  47.632  17.694  1.00 33.17           O  
-HETATM34251  O   HOH M2077      82.228  46.624  28.594  1.00 19.21           O  
-HETATM34252  O   HOH M2078      91.621  49.501  26.057  1.00 34.87           O  
-HETATM34253  O   HOH M2079      95.508  50.783  34.257  1.00 52.44           O  
-HETATM34254  O   HOH M2080     111.675  39.896  49.852  1.00 52.58           O  
-HETATM34255  O   HOH M2081     111.803  34.328  51.574  1.00 42.41           O  
-HETATM34256  O   HOH N2001      54.874  45.518  16.033  1.00 37.59           O  
-HETATM34257  O   HOH N2002      57.967  42.539  27.544  1.00 39.36           O  
-HETATM34258  O   HOH N2003      64.546  46.568  25.932  1.00 55.87           O  
-HETATM34259  O   HOH N2004      63.614  44.069  28.035  1.00 35.29           O  
-HETATM34260  O   HOH N2005      55.829  41.389  21.606  1.00 50.94           O  
-HETATM34261  O   HOH N2006      56.946  37.810  25.587  1.00 42.23           O  
-HETATM34262  O   HOH N2007      62.502  38.493  17.851  1.00 38.54           O  
-HETATM34263  O   HOH N2008      56.219  39.254  20.507  1.00 50.17           O  
-HETATM34264  O   HOH N2009      60.237  39.705  18.336  1.00 40.83           O  
-HETATM34265  O   HOH N2010     112.407  15.753  11.894  1.00 55.15           O  
-HETATM34266  O   HOH N2011      60.315  25.069  12.423  1.00 40.58           O  
-HETATM34267  O   HOH N2012      73.898  25.030  14.861  1.00 32.66           O  
-HETATM34268  O   HOH N2013      71.096  21.923   8.699  1.00 38.43           O  
-HETATM34269  O   HOH N2014      72.598  20.474  12.131  1.00 51.99           O  
-HETATM34270  O   HOH N2015      67.872  28.060  11.645  1.00 36.58           O  
-HETATM34271  O   HOH N2016      68.126  32.914   5.867  1.00 51.65           O  
-HETATM34272  O   HOH N2017      69.599  33.697  -0.508  1.00 55.47           O  
-HETATM34273  O   HOH N2018      65.662  26.307   0.403  1.00 59.11           O  
-HETATM34274  O   HOH N2019      73.088  34.323   2.500  1.00 42.32           O  
-HETATM34275  O   HOH N2020      78.512  36.493   4.536  1.00 46.02           O  
-HETATM34276  O   HOH N2021      75.103  35.246   4.706  1.00 41.84           O  
-HETATM34277  O   HOH N2022      94.966  41.206  14.645  1.00 40.52           O  
-HETATM34278  O   HOH N2023      97.156  37.382  23.768  1.00 30.43           O  
-HETATM34279  O   HOH N2024     112.069  18.041  11.378  1.00 47.67           O  
-HETATM34280  O   HOH N2025     105.371  16.987  12.837  1.00 43.04           O  
-HETATM34281  O   HOH N2026      78.403  40.593   5.556  1.00 58.95           O  
-HETATM34282  O   HOH N2027      69.055  30.236  13.687  1.00 38.00           O  
-HETATM34283  O   HOH N2028      59.107  46.852   9.543  1.00 53.26           O  
-HETATM34284  O   HOH N2029     113.484  44.404  16.425  1.00 46.98           O  
-HETATM34285  O   HOH N2030      69.063  50.032  19.379  1.00 32.46           O  
-HETATM34286  O   HOH N2031      70.946  42.004  24.168  1.00 20.81           O  
-HETATM34287  O   HOH N2032      75.541  29.494  24.044  1.00 46.52           O  
-HETATM34288  O   HOH N2033      72.242  24.329  19.913  1.00 53.80           O  
-HETATM34289  O   HOH N2034      74.243  25.878  17.136  1.00 35.50           O  
-HETATM34290  O   HOH N2035      73.891  22.490  10.258  1.00 40.58           O  
-HETATM34291  O   HOH N2036      71.789  31.624  12.474  1.00 37.84           O  
-HETATM34292  O   HOH N2037      76.070  23.548  11.613  1.00 49.42           O  
-HETATM34293  O   HOH N2038      88.716  23.948  14.058  1.00 44.31           O  
-HETATM34294  O   HOH N2039      89.762  20.220  12.987  1.00 36.92           O  
-HETATM34295  O   HOH N2040      95.069  17.932  11.507  1.00 39.50           O  
-HETATM34296  O   HOH N2041      83.434  30.198  26.824  1.00 35.39           O  
-HETATM34297  O   HOH N2042      79.629  31.024  27.428  1.00 40.09           O  
-HETATM34298  O   HOH N2043      81.075  36.532  19.766  1.00 33.41           O  
-HETATM34299  O   HOH N2044      73.370  47.531  18.810  1.00 33.92           O  
-HETATM34300  O   HOH N2045      82.301  28.523  19.450  1.00 47.59           O  
-HETATM34301  O   HOH N2046      95.450  27.603  26.947  1.00 72.25           O  
-HETATM34302  O   HOH N2047      88.821  26.610  14.818  1.00 39.87           O  
-HETATM34303  O   HOH N2048     100.041  18.515  24.922  1.00 48.50           O  
-HETATM34304  O   HOH N2049     103.295  19.498  11.218  1.00 40.80           O  
-HETATM34305  O   HOH N2050     109.542  23.651   7.489  1.00 60.07           O  
-HETATM34306  O   HOH N2051     101.831  26.244   6.141  1.00 41.81           O  
-HETATM34307  O   HOH N2052     114.147  30.140  10.660  1.00 36.55           O  
-HETATM34308  O   HOH N2053     107.217  29.180   6.455  1.00 46.70           O  
-HETATM34309  O   HOH N2054      99.206  25.086   6.237  1.00 36.36           O  
-HETATM34310  O   HOH N2055      98.814  25.729   2.080  1.00 48.86           O  
-HETATM34311  O   HOH N2056      81.314  24.638   1.486  1.00 43.14           O  
-HETATM34312  O   HOH N2057      80.865  33.284   1.696  1.00 40.43           O  
-HETATM34313  O   HOH N2058      83.234  37.964   8.718  1.00 43.80           O  
-HETATM34314  O   HOH N2059      81.554  40.081   5.206  1.00 58.56           O  
-HETATM34315  O   HOH N2060      98.498  46.711   8.389  1.00 54.51           O  
-HETATM34316  O   HOH N2061      95.264  39.766  12.352  1.00 33.91           O  
-HETATM34317  O   HOH N2062      90.216  44.645  10.642  1.00 68.27           O  
-HETATM34318  O   HOH N2063      94.090  41.312  10.539  1.00 54.01           O  
-HETATM34319  O   HOH N2064     101.309  44.714  17.972  1.00 47.58           O  
-HETATM34320  O   HOH N2065      98.833  40.983  25.251  1.00 47.02           O  
-HETATM34321  O   HOH N2066      98.878  45.058  23.293  1.00 46.13           O  
-HETATM34322  O   HOH N2067     112.171  32.748  23.058  1.00 53.85           O  
-HETATM34323  O   HOH N2068     105.192  35.321  22.252  1.00 51.06           O  
-HETATM34324  O   HOH N2069     103.269  42.655  14.648  1.00 42.59           O  
-HETATM34325  O   HOH N2070      81.888  31.908  -3.438  1.00 59.29           O  
-HETATM34326  O   HOH N2071      87.278  22.806   1.564  1.00 45.44           O  
-HETATM34327  O   HOH N2072      85.143  23.074   3.654  1.00 50.29           O  
-HETATM34328  O   HOH N2073      82.748  25.801   3.488  1.00 40.67           O  
-HETATM34329  O   HOH N2074      85.490  29.445  -1.492  1.00 39.74           O  
-HETATM34330  O   HOH N2075      92.213  24.417   0.332  1.00 43.24           O  
-HETATM34331  O   HOH N2076     111.564  37.343  20.551  1.00 36.34           O  
-HETATM34332  O   HOH N2077     104.547  41.762  19.235  1.00 48.24           O  
-HETATM34333  O   HOH N2078     113.205  42.403  15.243  1.00 44.52           O  
-HETATM34334  O   HOH N2079     120.480  41.034  21.427  1.00 45.12           O  
-HETATM34335  O   HOH N2080     112.003  43.098  22.662  1.00 62.99           O  
-HETATM34336  O   HOH O2001      65.061  24.288   2.911  1.00 52.72           O  
-HETATM34337  O   HOH O2002      60.744  14.003   6.713  1.00 37.74           O  
-HETATM34338  O   HOH O2003      66.609  22.679  15.072  1.00 47.95           O  
-HETATM34339  O   HOH O2004      65.242  15.977  20.401  1.00 48.12           O  
-HETATM34340  O   HOH O2005      60.349   4.099  18.340  1.00 46.94           O  
-HETATM34341  O   HOH O2006      74.103   6.308  19.525  1.00 30.50           O  
-HETATM34342  O   HOH O2007      70.696  -0.445  20.317  1.00 41.97           O  
-HETATM34343  O   HOH O2008      73.324   4.471  23.119  1.00 41.44           O  
-HETATM34344  O   HOH O2009      66.528   5.458  22.024  1.00 55.27           O  
-HETATM34345  O   HOH O2010      65.833  -6.376  12.833  1.00 54.76           O  
-HETATM34346  O   HOH O2011      66.294   0.426  10.150  1.00 58.27           O  
-HETATM34347  O   HOH O2012      74.925  -0.607   6.584  1.00 44.08           O  
-HETATM34348  O   HOH O2013      82.523  -0.387   2.355  1.00 57.53           O  
-HETATM34349  O   HOH O2014      92.315   4.318   4.313  1.00 45.62           O  
-HETATM34350  O   HOH O2015      94.588   5.446   4.189  1.00 53.43           O  
-HETATM34351  O   HOH O2016      95.444  11.144   4.555  1.00 41.58           O  
-HETATM34352  O   HOH O2017      69.063   6.814  14.258  1.00 34.09           O  
-HETATM34353  O   HOH O2018      58.850  10.759   3.990  1.00 49.81           O  
-HETATM34354  O   HOH O2019      56.043  10.662  -2.841  1.00 41.50           O  
-HETATM34355  O   HOH O2020      61.418  16.381  -7.886  1.00 47.67           O  
-HETATM34356  O   HOH O2021      72.764  17.226  -1.166  1.00 57.79           O  
-HETATM34357  O   HOH O2022      71.339  20.572   6.523  1.00 21.58           O  
-HETATM34358  O   HOH O2023      74.193   8.980  19.213  1.00 36.29           O  
-HETATM34359  O   HOH O2024      72.036   6.159  12.557  1.00 40.12           O  
-HETATM34360  O   HOH O2025      73.730   0.511  20.170  1.00 43.07           O  
-HETATM34361  O   HOH O2026      82.668   5.514  19.314  1.00 44.90           O  
-HETATM34362  O   HOH O2027      88.642   4.382  20.818  1.00 32.19           O  
-HETATM34363  O   HOH O2028      91.473   1.376  25.239  1.00 40.46           O  
-HETATM34364  O   HOH O2029      94.734   0.453  25.607  1.00 50.60           O  
-HETATM34365  O   HOH O2030      87.374  13.610  24.640  1.00 59.67           O  
-HETATM34366  O   HOH O2031      94.776  14.121  22.120  1.00 67.46           O  
-HETATM34367  O   HOH O2032      86.090  14.846  22.070  1.00 44.18           O  
-HETATM34368  O   HOH O2033      84.949  21.373  16.065  1.00 62.45           O  
-HETATM34369  O   HOH O2034      89.363  21.757  15.016  1.00 44.69           O  
-HETATM34370  O   HOH O2035      82.668  15.584  13.051  1.00 43.71           O  
-HETATM34371  O   HOH O2036      76.409  17.176  17.848  1.00 53.48           O  
-HETATM34372  O   HOH O2037      79.850  19.687  18.210  1.00 42.95           O  
-HETATM34373  O   HOH O2038      81.411  14.588  10.359  1.00 39.29           O  
-HETATM34374  O   HOH O2039      65.632   3.336   2.169  1.00 53.03           O  
-HETATM34375  O   HOH O2040      76.631   2.309   3.954  1.00 53.92           O  
-HETATM34376  O   HOH O2041      92.118  17.534  10.865  1.00 45.50           O  
-HETATM34377  O   HOH O2042     103.015   0.588  24.157  1.00 45.79           O  
-HETATM34378  O   HOH O2043     116.536   0.007   7.798  0.50 85.71           O  
-HETATM34379  O   HOH O2044     110.454  -2.689   3.906  1.00 45.69           O  
-HETATM34380  O   HOH O2045      99.147  -2.486  17.596  1.00 33.16           O  
-HETATM34381  O   HOH O2046     101.447  -2.083  16.142  1.00 37.91           O  
-HETATM34382  O   HOH O2047      92.537  -6.847  22.203  1.00 44.34           O  
-HETATM34383  O   HOH O2048      72.007 -10.741  18.282  1.00 35.04           O  
-HETATM34384  O   HOH O2049      80.871  -6.976  15.560  1.00 39.80           O  
-HETATM34385  O   HOH O2050      80.482  -4.464   7.352  1.00 44.94           O  
-HETATM34386  O   HOH O2051      84.192   4.468   5.504  1.00 51.54           O  
-HETATM34387  O   HOH O2052      93.740   7.454  -5.873  1.00 50.83           O  
-HETATM34388  O   HOH O2053      95.327   8.020   4.648  1.00 36.07           O  
-HETATM34389  O   HOH O2054      96.670  18.206   5.615  1.00 44.41           O  
-HETATM34390  O   HOH O2055      99.384  21.034   7.261  1.00 34.87           O  
-HETATM34391  O   HOH O2056      97.572  19.381   8.070  1.00 36.02           O  
-HETATM34392  O   HOH O2057     111.725  14.347  10.066  1.00 48.00           O  
-HETATM34393  O   HOH O2058     112.200  15.168  15.709  1.00 67.94           O  
-HETATM34394  O   HOH O2059     105.121  14.928   5.803  1.00 47.06           O  
-HETATM34395  O   HOH O2060     103.528  11.162   3.445  1.00 38.11           O  
-HETATM34396  O   HOH O2061      91.856   2.569   6.821  1.00 40.50           O  
-HETATM34397  O   HOH O2062      84.837 -11.358   8.106  1.00 54.77           O  
-HETATM34398  O   HOH O2063      90.196 -14.094  23.261  1.00 50.13           O  
-HETATM34399  O   HOH O2064      83.596 -12.740  22.920  1.00 41.54           O  
-HETATM34400  O   HOH O2065      87.201 -10.394  27.784  1.00 57.17           O  
-HETATM34401  O   HOH O2066      75.198 -17.044  21.317  1.00 40.88           O  
-HETATM34402  O   HOH O2067      78.833 -12.066  23.421  1.00 48.51           O  
-HETATM34403  O   HOH O2068      82.752  -4.622  15.321  1.00 35.02           O  
-HETATM34404  O   HOH O2069      79.138  -9.574  10.545  1.00 44.16           O  
-HETATM34405  O   HOH O2070      96.333  -3.997   9.243  1.00 33.61           O  
-HETATM34406  O   HOH O2071      80.964  -1.937  28.135  1.00 46.48           O  
-HETATM34407  O   HOH P2001      53.817 217.321  96.742  1.00 44.05           O  
-HETATM34408  O   HOH P2002      67.440 207.973  94.977  1.00 37.64           O  
-HETATM34409  O   HOH P2003      63.624 209.479  92.825  1.00 48.75           O  
-HETATM34410  O   HOH P2004      61.820 220.831  90.707  1.00 44.76           O  
-HETATM34411  O   HOH P2005      76.092 225.351  78.433  1.00 32.99           O  
-HETATM34412  O   HOH P2006      59.740 220.046  91.665  1.00 42.01           O  
-HETATM34413  O   HOH P2007      60.361 214.328  80.737  1.00 55.47           O  
-HETATM34414  O   HOH P2008      96.402 215.054  89.926  1.00 36.78           O  
-HETATM34415  O   HOH P2009      66.368 232.192  78.958  1.00 48.78           O  
-HETATM34416  O   HOH P2010      65.791 229.244  84.917  1.00 45.39           O  
-HETATM34417  O   HOH P2011      73.541 230.881  81.290  1.00 26.66           O  
-HETATM34418  O   HOH P2012      70.518 237.478  82.183  1.00 31.68           O  
-HETATM34419  O   HOH P2013      72.366 234.048  78.562  1.00 59.38           O  
-HETATM34420  O   HOH P2014      65.984 238.456  86.602  1.00 38.83           O  
-HETATM34421  O   HOH P2015      59.824 224.725  88.940  1.00 52.17           O  
-HETATM34422  O   HOH P2016      53.986 219.597 103.026  1.00 50.90           O  
-HETATM34423  O   HOH P2017      76.283 227.107  80.282  1.00 37.85           O  
-HETATM34424  O   HOH P2018      70.090 238.727  94.353  1.00 43.93           O  
-HETATM34425  O   HOH P2019      77.179 232.693  97.067  1.00 51.77           O  
-HETATM34426  O   HOH P2020      72.300 236.091  95.663  1.00 32.50           O  
-HETATM34427  O   HOH P2021      73.590 233.885  95.316  1.00 28.17           O  
-HETATM34428  O   HOH P2022      90.798 229.083  97.740  1.00 45.69           O  
-HETATM34429  O   HOH P2023      92.791 226.842  97.972  1.00 56.20           O  
-HETATM34430  O   HOH P2024      96.815 216.836  88.324  1.00 44.17           O  
-HETATM34431  O   HOH P2025     107.379 224.305  80.012  1.00 56.44           O  
-HETATM34432  O   HOH P2026     111.698 229.145  83.730  1.00 51.38           O  
-HETATM34433  O   HOH P2027     109.656 236.025  84.530  1.00 44.35           O  
-HETATM34434  O   HOH P2028     111.574 237.776  80.164  1.00 48.99           O  
-HETATM34435  O   HOH P2029     103.193 237.060  79.860  1.00 45.03           O  
-HETATM34436  O   HOH P2030     105.085 230.655  76.535  1.00 42.46           O  
-HETATM34437  O   HOH P2031      68.444 228.730  86.401  1.00 41.93           O  
-HETATM34438  O   HOH P2032      59.958 228.601  89.303  1.00 40.18           O  
-HETATM34439  O   HOH P2033      61.645 223.540  90.359  1.00 51.63           O  
-HETATM34440  O   HOH P2034      98.507 241.397  89.442  1.00 56.75           O  
-HETATM34441  O   HOH P2035      59.178 223.681  91.082  1.00 57.28           O  
-HETATM34442  O   HOH P2036      55.964 220.923 102.435  1.00 58.08           O  
-HETATM34443  O   HOH P2037      57.274 222.049  94.879  1.00 50.76           O  
-HETATM34444  O   HOH P2038     117.523 221.635  97.372  1.00 45.38           O  
-HETATM34445  O   HOH P2039      58.327 216.721  99.263  1.00 41.82           O  
-HETATM34446  O   HOH P2040      71.157 219.238 100.752  1.00 55.42           O  
-HETATM34447  O   HOH P2041      70.389 213.578  90.436  1.00 15.04           O  
-HETATM34448  O   HOH P2042      74.061 227.898  80.996  1.00 37.43           O  
-HETATM34449  O   HOH P2043      73.074 236.410  82.402  1.00 34.66           O  
-HETATM34450  O   HOH P2044      71.138 229.078  88.264  1.00 29.22           O  
-HETATM34451  O   HOH P2045      88.296 232.351  81.484  1.00 29.85           O  
-HETATM34452  O   HOH P2046      89.757 235.345  79.299  1.00 40.78           O  
-HETATM34453  O   HOH P2047      93.622 241.403  82.227  1.00 40.18           O  
-HETATM34454  O   HOH P2048      94.830 237.589  78.340  1.00 29.08           O  
-HETATM34455  O   HOH P2049      86.126 226.592  68.687  1.00 47.45           O  
-HETATM34456  O   HOH P2050      94.753 219.650  78.149  1.00 74.11           O  
-HETATM34457  O   HOH P2051      86.108 222.828  77.268  1.00 36.53           O  
-HETATM34458  O   HOH P2052      84.570 214.625  81.234  1.00 39.95           O  
-HETATM34459  O   HOH P2053      82.953 218.170  79.660  1.00 41.63           O  
-HETATM34460  O   HOH P2054      82.027 219.806  86.088  1.00 46.36           O  
-HETATM34461  O   HOH P2055      79.746 217.399  80.059  1.00 33.92           O  
-HETATM34462  O   HOH P2056      71.882 214.568  98.133  1.00 43.99           O  
-HETATM34463  O   HOH P2057      71.400 224.941 100.493  1.00 45.52           O  
-HETATM34464  O   HOH P2058      75.050 223.469  96.749  1.00 65.02           O  
-HETATM34465  O   HOH P2059      71.228 230.514 103.310  1.00 51.72           O  
-HETATM34466  O   HOH P2060      80.580 220.482  88.957  1.00 35.08           O  
-HETATM34467  O   HOH P2061      97.462 221.252  77.545  1.00 45.97           O  
-HETATM34468  O   HOH P2062     100.888 237.714  88.234  1.00 40.35           O  
-HETATM34469  O   HOH P2063     106.297 236.072  90.673  1.00 34.59           O  
-HETATM34470  O   HOH P2064     113.462 231.301  89.372  1.00 41.13           O  
-HETATM34471  O   HOH P2065     115.369 222.999  90.671  1.00 36.19           O  
-HETATM34472  O   HOH P2066     102.969 235.239  97.342  1.00 71.22           O  
-HETATM34473  O   HOH P2067      99.014 238.287  86.589  1.00 49.73           O  
-HETATM34474  O   HOH P2068      92.243 246.099  83.921  1.00 42.66           O  
-HETATM34475  O   HOH P2069      92.280 243.092  83.588  1.00 29.61           O  
-HETATM34476  O   HOH P2070      72.762 248.160  83.896  1.00 38.05           O  
-HETATM34477  O   HOH P2071      79.380 237.787  96.113  1.00 59.73           O  
-HETATM34478  O   HOH P2072      82.121 228.311  96.078  1.00 69.86           O  
-HETATM34479  O   HOH P2073      90.430 235.568 103.499  1.00 60.29           O  
-HETATM34480  O   HOH P2074     102.113 221.825  97.399  1.00 28.09           O  
-HETATM34481  O   HOH P2075     103.531 218.058  94.818  1.00 41.03           O  
-HETATM34482  O   HOH P2076      98.470 212.839  90.951  1.00 50.07           O  
-HETATM34483  O   HOH P2077     107.830 223.810  83.346  1.00 41.41           O  
-HETATM34484  O   HOH P2078     110.921 221.748  98.262  1.00 43.74           O  
-HETATM34485  O   HOH P2079      87.098 249.124  77.258  1.00 48.79           O  
-HETATM34486  O   HOH P2080      84.413 254.251  83.038  1.00 37.53           O  
-HETATM34487  O   HOH P2081      82.593 255.117  85.044  1.00 42.26           O  
-HETATM34488  O   HOH P2082      83.230 249.762  83.666  1.00 29.97           O  
-HETATM34489  O   HOH P2083      78.977 249.350  83.230  1.00 42.03           O  
-HETATM34490  O   HOH P2084      79.999 251.252  90.051  1.00 36.58           O  
-HETATM34491  O   HOH P2085      77.876 245.290  82.102  1.00 42.26           O  
-HETATM34492  O   HOH P2086      80.510 242.563  88.769  1.00 32.94           O  
-HETATM34493  O   HOH P2087      78.099 244.049  94.802  1.00 37.92           O  
-HETATM34494  O   HOH P2088      84.351 241.970  94.605  1.00 49.50           O  
-HETATM34495  O   HOH P2089      81.842 240.090  88.798  1.00 37.77           O  
-HETATM34496  O   HOH P2090      86.832 243.365  87.648  1.00 43.09           O  
-HETATM34497  O   HOH P2091      91.263 243.580  90.076  1.00 41.14           O  
-HETATM34498  O   HOH P2092      96.629 240.554  90.621  1.00 74.11           O  
-HETATM34499  O   HOH P2093      95.197 238.077  95.276  1.00 38.59           O  
-HETATM34500  O   HOH P2094     115.666 218.201  97.070  1.00 53.58           O  
-HETATM34501  O   HOH P2095      81.196 240.767  75.598  1.00 30.01           O  
-HETATM34502  O   HOH Q2001      53.699 246.822  87.056  1.00 60.40           O  
-HETATM34503  O   HOH Q2002      64.425 240.953  87.307  1.00 53.11           O  
-HETATM34504  O   HOH Q2003      71.145 246.534  87.594  1.00 41.11           O  
-HETATM34505  O   HOH Q2004      63.288 238.535  85.782  1.00 40.56           O  
-HETATM34506  O   HOH Q2005      55.598 241.768  80.235  1.00 50.00           O  
-HETATM34507  O   HOH Q2006      55.828 241.567  76.760  1.00 56.52           O  
-HETATM34508  O   HOH Q2007      66.330 235.368  58.610  1.00 45.62           O  
-HETATM34509  O   HOH Q2008      60.799 239.283  61.844  1.00 58.57           O  
-HETATM34510  O   HOH Q2009      74.474 237.523  63.360  1.00 37.50           O  
-HETATM34511  O   HOH Q2010      66.854 236.104  60.911  1.00 45.27           O  
-HETATM34512  O   HOH Q2011      71.305 240.437  56.855  1.00 42.63           O  
-HETATM34513  O   HOH Q2012      61.229 244.253  75.447  1.00 54.27           O  
-HETATM34514  O   HOH Q2013      65.917 250.075  56.196  1.00 55.65           O  
-HETATM34515  O   HOH Q2014      63.984 254.270  52.866  1.00 46.61           O  
-HETATM34516  O   HOH Q2015      73.583 258.979  54.944  1.00 53.09           O  
-HETATM34517  O   HOH Q2016      73.455 252.945  62.836  1.00 40.04           O  
-HETATM34518  O   HOH Q2017      74.874 251.903  64.905  1.00 40.98           O  
-HETATM34519  O   HOH Q2018      94.785 247.788  76.205  1.00 33.01           O  
-HETATM34520  O   HOH Q2019      97.238 238.392  78.804  1.00 34.73           O  
-HETATM34521  O   HOH Q2020     105.256 237.173  75.279  1.00 57.50           O  
-HETATM34522  O   HOH Q2021     107.075 232.207  65.689  1.00 66.02           O  
-HETATM34523  O   HOH Q2022     110.006 240.884  59.885  1.00 45.21           O  
-HETATM34524  O   HOH Q2023     103.829 247.438  79.401  1.00 37.92           O  
-HETATM34525  O   HOH Q2024      96.065 243.913  85.725  1.00 38.24           O  
-HETATM34526  O   HOH Q2025      69.254 241.873  66.435  1.00 31.17           O  
-HETATM34527  O   HOH Q2026      68.199 249.766  63.964  1.00 37.63           O  
-HETATM34528  O   HOH Q2027      67.694 254.262  63.645  1.00 50.08           O  
-HETATM34529  O   HOH Q2028      62.601 243.940  73.285  1.00 45.32           O  
-HETATM34530  O   HOH Q2029      59.145 249.935  81.463  1.00 48.04           O  
-HETATM34531  O   HOH Q2030      68.800 249.488  85.720  1.00 36.85           O  
-HETATM34532  O   HOH Q2031      70.621 240.510  82.187  1.00 16.79           O  
-HETATM34533  O   HOH Q2032      74.276 236.072  65.814  1.00 38.08           O  
-HETATM34534  O   HOH Q2033      74.105 239.945  57.830  1.00 29.64           O  
-HETATM34535  O   HOH Q2034      71.775 243.435  66.880  1.00 35.84           O  
-HETATM34536  O   HOH Q2035      86.119 237.148  61.988  1.00 40.66           O  
-HETATM34537  O   HOH Q2036      88.704 237.589  61.866  1.00 19.79           O  
-HETATM34538  O   HOH Q2037      95.326 236.227  55.853  1.00 36.18           O  
-HETATM34539  O   HOH Q2038      84.628 231.770  78.365  1.00 49.77           O  
-HETATM34540  O   HOH Q2039      83.061 231.252  74.753  1.00 42.70           O  
-HETATM34541  O   HOH Q2040      82.537 237.830  74.893  1.00 35.54           O  
-HETATM34542  O   HOH Q2041      80.111 231.355  75.501  1.00 38.75           O  
-HETATM34543  O   HOH Q2042      77.334 252.669  68.745  1.00 37.45           O  
-HETATM34544  O   HOH Q2043      91.161 236.508  77.832  1.00 39.86           O  
-HETATM34545  O   HOH Q2044      97.401 229.595  71.378  1.00 51.19           O  
-HETATM34546  O   HOH Q2045     101.943 245.381  59.344  1.00 39.36           O  
-HETATM34547  O   HOH Q2046     113.989 244.097  65.674  1.00 49.09           O  
-HETATM34548  O   HOH Q2047     117.645 250.224  69.411  1.00 41.36           O  
-HETATM34549  O   HOH Q2048     102.767 247.591  58.704  1.00 42.54           O  
-HETATM34550  O   HOH Q2049      93.200 242.861  51.943  1.00 46.40           O  
-HETATM34551  O   HOH Q2050      85.453 244.888  54.910  1.00 35.96           O  
-HETATM34552  O   HOH Q2051      81.422 247.824  54.472  1.00 28.46           O  
-HETATM34553  O   HOH Q2052      79.661 250.911  48.317  1.00 51.72           O  
-HETATM34554  O   HOH Q2053      83.708 250.242  69.917  1.00 39.88           O  
-HETATM34555  O   HOH Q2054      83.229 256.236  72.251  1.00 47.05           O  
-HETATM34556  O   HOH Q2055      94.026 251.282  72.694  1.00 52.71           O  
-HETATM34557  O   HOH Q2056      97.098 239.653  80.786  1.00 32.73           O  
-HETATM34558  O   HOH Q2057     104.255 244.637  79.434  1.00 63.48           O  
-HETATM34559  O   HOH Q2058      98.775 239.410  82.872  1.00 38.97           O  
-HETATM34560  O   HOH Q2059      98.286 243.590  84.683  1.00 44.32           O  
-HETATM34561  O   HOH Q2060     107.805 235.045  70.912  1.00 55.19           O  
-HETATM34562  O   HOH Q2061     102.691 248.486  77.132  1.00 38.53           O  
-HETATM34563  O   HOH Q2062      97.365 254.680  61.990  1.00 33.64           O  
-HETATM34564  O   HOH Q2063      91.634 250.176  67.825  1.00 38.04           O  
-HETATM34565  O   HOH Q2064      89.689 252.971  69.103  1.00 46.74           O  
-HETATM34566  O   HOH Q2065      90.818 255.258  67.785  1.00 51.63           O  
-HETATM34567  O   HOH Q2066      90.109 254.705  51.689  1.00 49.24           O  
-HETATM34568  O   HOH Q2067      84.587 245.282  45.954  1.00 33.29           O  
-HETATM34569  O   HOH Q2068      88.002 238.737  41.987  1.00 59.97           O  
-HETATM34570  O   HOH Q2069      87.592 247.269  53.315  1.00 62.66           O  
-HETATM34571  O   HOH Q2070      82.844 246.888  56.688  1.00 31.25           O  
-HETATM34572  O   HOH Q2071      96.382 246.802  55.465  1.00 40.57           O  
-HETATM34573  O   HOH Q2072      92.939 248.689  53.736  1.00 49.36           O  
-HETATM34574  O   HOH Q2073     101.306 252.656  65.664  1.00 59.93           O  
-HETATM34575  O   HOH Q2074     115.908 247.757  80.590  1.00 54.48           O  
-HETATM34576  O   HOH Q2075      81.800 234.767  51.749  1.00 35.28           O  
-HETATM34577  O   HOH R2001      61.015 237.137  48.894  1.00 43.29           O  
-HETATM34578  O   HOH R2002      97.507 239.325  54.751  1.00 32.96           O  
-HETATM34579  O   HOH R2003     112.908 211.894  52.732  1.00 49.94           O  
-HETATM34580  O   HOH R2004      60.269 221.639  48.713  1.00 60.21           O  
-HETATM34581  O   HOH R2005      74.400 222.412  50.922  1.00 44.78           O  
-HETATM34582  O   HOH R2006      71.333 217.216  46.417  1.00 44.78           O  
-HETATM34583  O   HOH R2007      71.466 223.523  36.056  1.00 59.56           O  
-HETATM34584  O   HOH R2008      75.271 228.186  38.153  1.00 35.92           O  
-HETATM34585  O   HOH R2009      78.879 230.027  37.871  1.00 30.42           O  
-HETATM34586  O   HOH R2010      73.950 226.417  36.481  1.00 39.97           O  
-HETATM34587  O   HOH R2011      98.005 236.782  55.294  1.00 27.76           O  
-HETATM34588  O   HOH R2012     102.798 222.430  56.734  1.00 42.08           O  
-HETATM34589  O   HOH R2013      97.895 214.347  47.304  1.00 30.22           O  
-HETATM34590  O   HOH R2014     108.623 227.917  55.090  1.00 45.37           O  
-HETATM34591  O   HOH R2015     111.945 223.407  52.837  1.00 46.32           O  
-HETATM34592  O   HOH R2016     112.788 214.166  51.346  1.00 49.42           O  
-HETATM34593  O   HOH R2017     102.063 220.348  56.733  1.00 41.82           O  
-HETATM34594  O   HOH R2018      83.886 227.189  47.827  1.00 36.36           O  
-HETATM34595  O   HOH R2019      59.214 237.481  44.541  1.00 36.48           O  
-HETATM34596  O   HOH R2020      56.965 238.904  37.677  1.00 37.83           O  
-HETATM34597  O   HOH R2021      66.688 245.147  40.864  1.00 48.48           O  
-HETATM34598  O   HOH R2022      60.371 250.115  46.771  1.00 57.59           O  
-HETATM34599  O   HOH R2023      60.400 251.076  41.559  1.00 47.24           O  
-HETATM34600  O   HOH R2024      60.104 244.229  44.682  1.00 44.20           O  
-HETATM34601  O   HOH R2025      70.144 247.107  46.780  1.00 48.97           O  
-HETATM34602  O   HOH R2026      71.433 241.348  54.060  1.00 19.92           O  
-HETATM34603  O   HOH R2027      76.270 229.490  58.089  1.00 37.08           O  
-HETATM34604  O   HOH R2028      72.761 223.262  55.745  1.00 56.38           O  
-HETATM34605  O   HOH R2029      74.629 224.380  53.192  1.00 40.14           O  
-HETATM34606  O   HOH R2030      72.313 227.773  46.671  1.00 30.06           O  
-HETATM34607  O   HOH R2031      74.289 218.123  47.316  1.00 30.19           O  
-HETATM34608  O   HOH R2032      81.967 225.476  48.300  1.00 48.20           O  
-HETATM34609  O   HOH R2033      86.190 221.031  51.231  1.00 37.62           O  
-HETATM34610  O   HOH R2034      88.751 220.491  50.932  1.00 30.37           O  
-HETATM34611  O   HOH R2035      85.591 216.094  41.527  1.00 27.52           O  
-HETATM34612  O   HOH R2036      94.427 213.471  45.231  1.00 41.96           O  
-HETATM34613  O   HOH R2037      95.585 214.121  50.720  1.00 35.29           O  
-HETATM34614  O   HOH R2038      92.182 215.269  51.872  1.00 32.63           O  
-HETATM34615  O   HOH R2039      83.028 233.221  54.552  1.00 31.84           O  
-HETATM34616  O   HOH R2040      80.030 232.162  60.472  1.00 34.38           O  
-HETATM34617  O   HOH R2041      73.810 245.224  47.256  1.00 44.13           O  
-HETATM34618  O   HOH R2042      98.605 226.239  60.731  1.00 70.20           O  
-HETATM34619  O   HOH R2043      99.823 230.012  62.054  1.00 44.67           O  
-HETATM34620  O   HOH R2044      96.004 220.766  62.085  1.00 41.02           O  
-HETATM34621  O   HOH R2045      99.602 215.642  45.789  1.00 38.02           O  
-HETATM34622  O   HOH R2046     107.628 222.468  42.097  1.00 27.96           O  
-HETATM34623  O   HOH R2047     114.598 225.295  46.021  1.00 37.60           O  
-HETATM34624  O   HOH R2048      99.332 217.715  39.902  1.00 47.90           O  
-HETATM34625  O   HOH R2049     102.035 220.184  42.680  1.00 43.46           O  
-HETATM34626  O   HOH R2050     103.298 220.497  40.196  1.00 51.79           O  
-HETATM34627  O   HOH R2051      81.746 217.007  38.770  1.00 26.23           O  
-HETATM34628  O   HOH R2052      79.529 219.162  33.469  1.00 37.62           O  
-HETATM34629  O   HOH R2053      77.454 223.510  32.650  1.00 47.22           O  
-HETATM34630  O   HOH R2054      86.220 220.759  34.952  1.00 51.40           O  
-HETATM34631  O   HOH R2055      80.936 225.176  35.221  1.00 34.39           O  
-HETATM34632  O   HOH R2056      95.832 234.929  43.427  1.00 40.41           O  
-HETATM34633  O   HOH R2057      91.421 245.819  45.432  1.00 41.98           O  
-HETATM34634  O   HOH R2058      99.556 240.443  55.725  1.00 44.24           O  
-HETATM34635  O   HOH R2059      99.232 243.656  52.346  1.00 42.95           O  
-HETATM34636  O   HOH R2060     110.781 229.602  54.344  1.00 62.71           O  
-HETATM34637  O   HOH R2061     112.733 231.537  56.648  1.00 67.67           O  
-HETATM34638  O   HOH R2062     103.461 237.897  45.035  1.00 45.35           O  
-HETATM34639  O   HOH R2063      95.238 229.694  33.257  1.00 50.31           O  
-HETATM34640  O   HOH R2064      90.496 209.453  34.659  1.00 45.80           O  
-HETATM34641  O   HOH R2065      84.793 207.915  38.756  1.00 46.61           O  
-HETATM34642  O   HOH R2066      88.154 205.463  44.113  1.00 51.16           O  
-HETATM34643  O   HOH R2067      78.997 207.148  39.291  1.00 53.41           O  
-HETATM34644  O   HOH R2068      78.433 210.712  42.269  1.00 49.57           O  
-HETATM34645  O   HOH R2069      87.776 215.100  39.394  1.00 47.92           O  
-HETATM34646  O   HOH R2070      83.261 218.741  40.116  1.00 30.02           O  
-HETATM34647  O   HOH R2071      92.747 216.263  37.568  1.00 47.78           O  
-HETATM34648  O   HOH R2072      96.900 223.765  36.710  1.00 38.16           O  
-HETATM34649  O   HOH R2073     113.318 236.997  38.239  1.00 42.07           O  
-HETATM34650  O   HOH R2074     118.110 239.245  47.443  1.00 57.12           O  
-HETATM34651  O   HOH S2001      55.886 206.617  40.508  1.00 42.26           O  
-HETATM34652  O   HOH S2002      59.156 218.592  43.800  1.00 35.81           O  
-HETATM34653  O   HOH S2003      65.377 216.486  39.577  1.00 57.50           O  
-HETATM34654  O   HOH S2004      64.410 218.553  42.613  1.00 50.74           O  
-HETATM34655  O   HOH S2005      63.112 208.946  48.439  1.00 47.38           O  
-HETATM34656  O   HOH S2006      60.966 208.919  46.918  1.00 42.69           O  
-HETATM34657  O   HOH S2007      63.954 206.868  53.238  1.00 46.88           O  
-HETATM34658  O   HOH S2008      66.632 206.963  64.236  1.00 36.08           O  
-HETATM34659  O   HOH S2009      73.950 206.479  61.862  1.00 35.01           O  
-HETATM34660  O   HOH S2010      70.843 200.626  65.534  1.00 40.14           O  
-HETATM34661  O   HOH S2011      63.949 182.741  61.717  1.00 45.24           O  
-HETATM34662  O   HOH S2012      73.629 193.751  53.611  1.00 51.68           O  
-HETATM34663  O   HOH S2013      78.264 195.933  50.522  1.00 50.38           O  
-HETATM34664  O   HOH S2014      83.782 214.637  62.348  1.00 55.46           O  
-HETATM34665  O   HOH S2015      88.916 202.713  43.740  1.00 70.25           O  
-HETATM34666  O   HOH S2016      95.368 205.461  46.749  1.00 34.37           O  
-HETATM34667  O   HOH S2017      98.050 213.894  50.034  1.00 25.51           O  
-HETATM34668  O   HOH S2018     109.188 211.263  63.458  1.00 49.50           O  
-HETATM34669  O   HOH S2019     106.326 211.669  65.829  1.00 49.85           O  
-HETATM34670  O   HOH S2020     112.662 206.466  61.023  1.00 68.11           O  
-HETATM34671  O   HOH S2021      84.298 199.509  50.048  1.00 57.47           O  
-HETATM34672  O   HOH S2022      69.121 205.331  56.729  1.00 29.97           O  
-HETATM34673  O   HOH S2023      63.087 207.113  49.799  1.00 44.44           O  
-HETATM34674  O   HOH S2024      71.702 215.024  44.636  1.00 24.52           O  
-HETATM34675  O   HOH S2025      74.046 209.098  60.936  1.00 36.75           O  
-HETATM34676  O   HOH S2026      73.542 201.604  64.813  1.00 35.92           O  
-HETATM34677  O   HOH S2027      72.103 203.752  55.431  1.00 23.92           O  
-HETATM34678  O   HOH S2028      82.671 205.884  61.711  1.00 38.70           O  
-HETATM34679  O   HOH S2029      88.414 205.321  64.127  1.00 34.74           O  
-HETATM34680  O   HOH S2030      84.957 195.101  65.330  1.00 35.56           O  
-HETATM34681  O   HOH S2031      94.780 202.816  70.022  1.00 28.91           O  
-HETATM34682  O   HOH S2032      86.249 215.536  61.411  1.00 38.22           O  
-HETATM34683  O   HOH S2033      85.388 219.809  53.699  1.00 50.42           O  
-HETATM34684  O   HOH S2034      84.218 217.395  56.856  1.00 39.80           O  
-HETATM34685  O   HOH S2035      82.954 212.645  52.729  1.00 36.48           O  
-HETATM34686  O   HOH S2036      76.021 216.405  56.708  1.00 47.19           O  
-HETATM34687  O   HOH S2037      79.722 218.309  55.337  1.00 32.14           O  
-HETATM34688  O   HOH S2038      81.648 210.541  50.532  1.00 28.26           O  
-HETATM34689  O   HOH S2039      65.941 197.481  46.738  1.00 44.93           O  
-HETATM34690  O   HOH S2040      82.238 210.430  59.207  1.00 40.42           O  
-HETATM34691  O   HOH S2041      88.883 205.644  60.629  1.00 40.56           O  
-HETATM34692  O   HOH S2042     101.779 211.562  65.453  1.00 48.02           O  
-HETATM34693  O   HOH S2043      96.719 213.703  64.972  1.00 52.27           O  
-HETATM34694  O   HOH S2044     102.745 202.671  69.273  1.00 48.00           O  
-HETATM34695  O   HOH S2045     101.546 197.602  62.648  1.00 33.15           O  
-HETATM34696  O   HOH S2046     107.207 197.315  60.043  1.00 43.80           O  
-HETATM34697  O   HOH S2047     115.785 195.456  52.871  1.00 55.49           O  
-HETATM34698  O   HOH S2048     107.389 194.822  56.238  1.00 45.40           O  
-HETATM34699  O   HOH S2049      99.434 197.437  63.769  1.00 36.34           O  
-HETATM34700  O   HOH S2050      98.825 192.875  63.175  1.00 46.13           O  
-HETATM34701  O   HOH S2051      78.463 188.248  59.508  1.00 41.49           O  
-HETATM34702  O   HOH S2052      80.681 192.643  63.409  1.00 28.41           O  
-HETATM34703  O   HOH S2053      80.505 192.275  54.484  1.00 55.57           O  
-HETATM34704  O   HOH S2054      85.456 197.164  48.957  1.00 50.72           O  
-HETATM34705  O   HOH S2055      99.180 212.866  42.446  1.00 55.75           O  
-HETATM34706  O   HOH S2056     103.676 204.590  45.878  1.00 39.38           O  
-HETATM34707  O   HOH S2057      92.794 199.001  48.929  1.00 58.67           O  
-HETATM34708  O   HOH S2058      90.222 189.691  53.092  1.00 46.34           O  
-HETATM34709  O   HOH S2059      87.282 192.597  65.494  1.00 50.33           O  
-HETATM34710  O   HOH S2060      86.762 193.512  76.745  1.00 54.47           O  
-HETATM34711  O   HOH S2061      83.189 189.876  72.162  1.00 45.66           O  
-HETATM34712  O   HOH S2062      78.214 190.348  72.221  1.00 48.92           O  
-HETATM34713  O   HOH S2063      82.495 194.894  62.204  1.00 35.80           O  
-HETATM34714  O   HOH S2064     100.801 194.847  52.335  1.00 39.31           O  
-HETATM34715  O   HOH S2065      96.441 192.960  56.711  1.00 47.70           O  
-HETATM34716  O   HOH S2066     114.945 199.927  46.798  1.00 52.21           O  
-HETATM34717  O   HOH S2067     105.251 208.778  46.366  1.00 39.39           O  
-HETATM34718  O   HOH S2068      80.766 201.461  73.379  1.00 34.81           O  
-HETATM34719  O   HOH T2001      54.553 192.382  72.119  1.00 45.12           O  
-HETATM34720  O   HOH T2002      67.113 188.451  67.638  1.00 50.37           O  
-HETATM34721  O   HOH T2003      58.358 198.925  62.800  1.00 38.69           O  
-HETATM34722  O   HOH T2004      64.975 194.458  63.539  1.00 40.31           O  
-HETATM34723  O   HOH T2005      67.695 190.292  65.265  1.00 49.28           O  
-HETATM34724  O   HOH T2006      63.498 197.686  62.669  1.00 42.75           O  
-HETATM34725  O   HOH T2007      66.996 214.940  77.362  1.00 69.69           O  
-HETATM34726  O   HOH T2008      61.951 199.897  73.779  1.00 43.02           O  
-HETATM34727  O   HOH T2009      55.956 207.738  65.172  1.00 72.25           O  
-HETATM34728  O   HOH T2010      59.851 198.582  72.906  1.00 44.19           O  
-HETATM34729  O   HOH T2011      96.583 199.514  69.264  1.00 34.92           O  
-HETATM34730  O   HOH T2012      66.050 210.671  75.003  1.00 49.21           O  
-HETATM34731  O   HOH T2013      73.478 211.175  80.987  1.00 30.78           O  
-HETATM34732  O   HOH T2014      66.189 213.840  80.977  1.00 37.84           O  
-HETATM34733  O   HOH T2015      69.877 212.590  87.759  1.00 44.09           O  
-HETATM34734  O   HOH T2016      64.077 205.168  93.141  1.00 53.68           O  
-HETATM34735  O   HOH T2017      69.517 201.847  91.986  1.00 44.19           O  
-HETATM34736  O   HOH T2018      67.035 200.886  86.984  1.00 46.04           O  
-HETATM34737  O   HOH T2019      65.819 185.651  69.701  1.00 43.88           O  
-HETATM34738  O   HOH T2020      71.234 204.856  99.017  1.00 44.64           O  
-HETATM34739  O   HOH T2021      76.194 211.708  77.640  1.00 36.42           O  
-HETATM34740  O   HOH T2022      73.731 198.893  88.173  1.00 37.04           O  
-HETATM34741  O   HOH T2023      93.176 195.730  82.888  1.00 36.00           O  
-HETATM34742  O   HOH T2024      94.081 195.643  77.593  1.00 36.83           O  
-HETATM34743  O   HOH T2025      97.169 201.982  70.247  1.00 37.22           O  
-HETATM34744  O   HOH T2026     104.337 203.767  72.477  1.00 41.28           O  
-HETATM34745  O   HOH T2027     116.329 200.146  78.194  1.00 34.55           O  
-HETATM34746  O   HOH T2028      98.137 207.214  94.024  1.00 45.08           O  
-HETATM34747  O   HOH T2029      95.356 211.068  95.662  1.00 61.15           O  
-HETATM34748  O   HOH T2030     104.718 216.706  80.465  1.00 43.33           O  
-HETATM34749  O   HOH T2031      71.394 204.220  81.277  1.00 34.25           O  
-HETATM34750  O   HOH T2032      70.077 200.797  88.437  1.00 64.70           O  
-HETATM34751  O   HOH T2033      68.492 206.219  80.398  1.00 32.45           O  
-HETATM34752  O   HOH T2034      61.936 200.443  76.077  1.00 34.11           O  
-HETATM34753  O   HOH T2035      57.982 196.231  76.165  1.00 61.36           O  
-HETATM34754  O   HOH T2036      58.925 190.638  72.069  1.00 41.51           O  
-HETATM34755  O   HOH T2037      63.406 186.603  69.901  1.00 35.04           O  
-HETATM34756  O   HOH T2038      64.591 187.548  68.089  1.00 38.01           O  
-HETATM34757  O   HOH T2039      68.974 188.739  69.222  1.00 50.14           O  
-HETATM34758  O   HOH T2040      75.510 188.867  72.526  1.00 53.66           O  
-HETATM34759  O   HOH T2041      70.891 198.255  67.041  1.00 24.58           O  
-HETATM34760  O   HOH T2042      71.545 203.469  67.261  1.00 37.37           O  
-HETATM34761  O   HOH T2043      73.818 211.016  78.159  1.00 32.49           O  
-HETATM34762  O   HOH T2044      73.176 212.567  86.632  1.00 27.23           O  
-HETATM34763  O   HOH T2045      81.724 210.750  82.073  1.00 33.68           O  
-HETATM34764  O   HOH T2046      85.260 212.498  82.282  1.00 35.57           O  
-HETATM34765  O   HOH T2047      87.733 212.435  83.088  1.00 33.39           O  
-HETATM34766  O   HOH T2048      89.259 215.390  85.278  1.00 47.44           O  
-HETATM34767  O   HOH T2049      84.196 210.154  92.772  1.00 26.32           O  
-HETATM34768  O   HOH T2050      94.175 216.965  87.297  1.00 49.22           O  
-HETATM34769  O   HOH T2051      94.760 212.496  69.838  1.00 47.77           O  
-HETATM34770  O   HOH T2052      85.104 213.508  73.219  1.00 50.77           O  
-HETATM34771  O   HOH T2053      83.862 209.765  69.347  1.00 35.04           O  
-HETATM34772  O   HOH T2054      82.135 204.503  72.226  1.00 41.12           O  
-HETATM34773  O   HOH T2055      79.592 209.416  67.633  1.00 33.08           O  
-HETATM34774  O   HOH T2056      68.689 195.468  84.550  1.00 46.63           O  
-HETATM34775  O   HOH T2057      90.954 203.930  69.646  1.00 34.33           O  
-HETATM34776  O   HOH T2058      96.738 213.365  71.635  1.00 48.86           O  
-HETATM34777  O   HOH T2059     102.406 215.728  87.302  1.00 45.84           O  
-HETATM34778  O   HOH T2060     100.734 207.375  90.376  1.00 36.67           O  
-HETATM34779  O   HOH T2061     114.357 200.625  80.451  1.00 50.83           O  
-HETATM34780  O   HOH T2062     114.239 198.124  82.288  1.00 49.00           O  
-HETATM34781  O   HOH T2063     114.217 197.980  89.832  1.00 46.25           O  
-HETATM34782  O   HOH T2064     116.497 198.069  86.307  1.00 41.57           O  
-HETATM34783  O   HOH T2065     106.037 205.048  89.619  1.00 28.98           O  
-HETATM34784  O   HOH T2066      98.311 208.853  90.889  1.00 56.85           O  
-HETATM34785  O   HOH T2067      91.857 210.273  96.687  1.00 40.57           O  
-HETATM34786  O   HOH T2068      77.427 203.310  97.559  1.00 34.72           O  
-HETATM34787  O   HOH T2069      79.913 207.886  94.265  1.00 22.67           O  
-HETATM34788  O   HOH T2070      76.001 199.479  95.081  1.00 48.49           O  
-HETATM34789  O   HOH T2071      79.316 199.477  91.978  1.00 47.35           O  
-HETATM34790  O   HOH T2072      86.107 192.356  79.740  1.00 57.18           O  
-HETATM34791  O   HOH T2073      92.935 193.453  81.893  1.00 46.07           O  
-HETATM34792  O   HOH T2074      94.196 195.934  80.624  1.00 42.33           O  
-HETATM34793  O   HOH T2075     103.982 196.723  73.899  1.00 43.32           O  
-HETATM34794  O   HOH T2076     110.953 205.115  75.363  1.00 51.58           O  
-HETATM34795  O   HOH T2077     102.556 194.778  77.921  1.00 38.47           O  
-HETATM34796  O   HOH T2078      95.973 198.780  93.541  1.00 50.75           O  
-HETATM34797  O   HOH T2079      90.700 198.630  85.653  1.00 55.48           O  
-HETATM34798  O   HOH T2080      92.888 193.885  91.481  1.00 42.26           O  
-HETATM34799  O   HOH T2081      89.347 197.482  97.079  1.00 40.58           O  
-HETATM34800  O   HOH T2082      83.000 215.286 100.384  1.00 36.69           O  
-HETATM34801  O   HOH T2083      86.504 222.482  98.644  1.00 58.84           O  
-HETATM34802  O   HOH T2084      78.608 215.933  99.617  1.00 48.76           O  
-HETATM34803  O   HOH T2085      81.480 207.389  92.151  1.00 39.32           O  
-HETATM34804  O   HOH T2086      86.362 209.303  95.543  1.00 36.68           O  
-HETATM34805  O   HOH T2087      94.996 200.947  92.758  1.00 38.61           O  
-HETATM34806  O   HOH T2088      99.967 197.393  89.689  1.00 40.71           O  
-HETATM34807  O   HOH T2089     112.849 195.163  75.457  1.00 45.20           O  
-HETATM34808  O   HOH T2090     119.672 201.914  65.135  1.00 41.69           O  
-CONECT  998 1082                                                                
-CONECT 1082  998                                                                
-CONECT 1503 1509                                                                
-CONECT 1509 1503                                                                
-CONECT 2664 2748                                                                
-CONECT 2748 2664                                                                
-CONECT 3169 3175                                                                
-CONECT 3175 3169                                                                
-CONECT 4313 4397                                                                
-CONECT 4397 4313                                                                
-CONECT 4818 4824                                                                
-CONECT 4824 4818                                                                
-CONECT 5962 6046                                                                
-CONECT 6046 5962                                                                
-CONECT 6467 6473                                                                
-CONECT 6473 6467                                                                
-CONECT 7628 7712                                                                
-CONECT 7712 7628                                                                
-CONECT 8133 8139                                                                
-CONECT 8139 8133                                                                
-CONECT 9277 9361                                                                
-CONECT 9361 9277                                                                
-CONECT 9782 9788                                                                
-CONECT 9788 9782                                                                
-CONECT1094311027                                                                
-CONECT1102710943                                                                
-CONECT1144811454                                                                
-CONECT1145411448                                                                
-CONECT1259212676                                                                
-CONECT1267612592                                                                
-CONECT1309713103                                                                
-CONECT1310313097                                                                
-CONECT1424114325                                                                
-CONECT1432514241                                                                
-CONECT1474614752                                                                
-CONECT1475214746                                                                
-CONECT1589015974                                                                
-CONECT1597415890                                                                
-CONECT1639516401                                                                
-CONECT1640116395                                                                
-CONECT1753917623                                                                
-CONECT1762317539                                                                
-CONECT1804418050                                                                
-CONECT1805018044                                                                
-CONECT1918819272                                                                
-CONECT1927219188                                                                
-CONECT1969319699                                                                
-CONECT1969919693                                                                
-CONECT2083720921                                                                
-CONECT2092120837                                                                
-CONECT2134221348                                                                
-CONECT2134821342                                                                
-CONECT2250322587                                                                
-CONECT2258722503                                                                
-CONECT2300823014                                                                
-CONECT2301423008                                                                
-CONECT2416924253                                                                
-CONECT2425324169                                                                
-CONECT2467424680                                                                
-CONECT2468024674                                                                
-CONECT2581825902                                                                
-CONECT2590225818                                                                
-CONECT2632326329                                                                
-CONECT2632926323                                                                
-CONECT2746727551                                                                
-CONECT2755127467                                                                
-CONECT2797227978                                                                
-CONECT2797827972                                                                
-CONECT2911629200                                                                
-CONECT2920029116                                                                
-CONECT2962129627                                                                
-CONECT2962729621                                                                
-CONECT3078230866                                                                
-CONECT3086630782                                                                
-CONECT3128731293                                                                
-CONECT3129331287                                                                
-CONECT3243132515                                                                
-CONECT3251532431                                                                
-CONECT3293632942                                                                
-CONECT3294232936                                                                
-CONECT331003310133105                                                           
-CONECT331013310033102                                                           
-CONECT33102331013310333107                                                      
-CONECT331033310233104                                                           
-CONECT331043310333105                                                           
-CONECT331053310033104                                                           
-CONECT33106331073311033111                                                      
-CONECT33107331023310633108                                                      
-CONECT331083310733109                                                           
-CONECT331093310833110                                                           
-CONECT331103310633109                                                           
-CONECT3311133106                                                                
-CONECT331123311333117                                                           
-CONECT331133311233114                                                           
-CONECT33114331133311533119                                                      
-CONECT331153311433116                                                           
-CONECT331163311533117                                                           
-CONECT331173311233116                                                           
-CONECT33118331193312233123                                                      
-CONECT33119331143311833120                                                      
-CONECT331203311933121                                                           
-CONECT331213312033122                                                           
-CONECT331223311833121                                                           
-CONECT3312333118                                                                
-CONECT331243312533129                                                           
-CONECT331253312433126                                                           
-CONECT33126331253312733131                                                      
-CONECT331273312633128                                                           
-CONECT331283312733129                                                           
-CONECT331293312433128                                                           
-CONECT33130331313313433135                                                      
-CONECT33131331263313033132                                                      
-CONECT331323313133133                                                           
-CONECT331333313233134                                                           
-CONECT331343313033133                                                           
-CONECT3313533130                                                                
-CONECT331363313733141                                                           
-CONECT331373313633138                                                           
-CONECT33138331373313933143                                                      
-CONECT331393313833140                                                           
-CONECT331403313933141                                                           
-CONECT331413313633140                                                           
-CONECT33142331433314633147                                                      
-CONECT33143331383314233144                                                      
-CONECT331443314333145                                                           
-CONECT331453314433146                                                           
-CONECT331463314233145                                                           
-CONECT3314733142                                                                
-CONECT331483314933153                                                           
-CONECT331493314833150                                                           
-CONECT33150331493315133155                                                      
-CONECT331513315033152                                                           
-CONECT331523315133153                                                           
-CONECT331533314833152                                                           
-CONECT33154331553315833159                                                      
-CONECT33155331503315433156                                                      
-CONECT331563315533157                                                           
-CONECT331573315633158                                                           
-CONECT331583315433157                                                           
-CONECT3315933154                                                                
-CONECT331603316133165                                                           
-CONECT331613316033162                                                           
-CONECT33162331613316333167                                                      
-CONECT331633316233164                                                           
-CONECT331643316333165                                                           
-CONECT331653316033164                                                           
-CONECT33166331673317033171                                                      
-CONECT33167331623316633168                                                      
-CONECT331683316733169                                                           
-CONECT331693316833170                                                           
-CONECT331703316633169                                                           
-CONECT3317133166                                                                
-CONECT331723317333177                                                           
-CONECT331733317233174                                                           
-CONECT33174331733317533179                                                      
-CONECT331753317433176                                                           
-CONECT331763317533177                                                           
-CONECT331773317233176                                                           
-CONECT33178331793318233183                                                      
-CONECT33179331743317833180                                                      
-CONECT331803317933181                                                           
-CONECT331813318033182                                                           
-CONECT331823317833181                                                           
-CONECT3318333178                                                                
-CONECT331843318533189                                                           
-CONECT331853318433186                                                           
-CONECT33186331853318733191                                                      
-CONECT331873318633188                                                           
-CONECT331883318733189                                                           
-CONECT331893318433188                                                           
-CONECT33190331913319433195                                                      
-CONECT33191331863319033192                                                      
-CONECT331923319133193                                                           
-CONECT331933319233194                                                           
-CONECT331943319033193                                                           
-CONECT3319533190                                                                
-CONECT331963319733201                                                           
-CONECT331973319633198                                                           
-CONECT33198331973319933203                                                      
-CONECT331993319833200                                                           
-CONECT332003319933201                                                           
-CONECT332013319633200                                                           
-CONECT33202332033320633207                                                      
-CONECT33203331983320233204                                                      
-CONECT332043320333205                                                           
-CONECT332053320433206                                                           
-CONECT332063320233205                                                           
-CONECT3320733202                                                                
-CONECT332083320933213                                                           
-CONECT332093320833210                                                           
-CONECT33210332093321133215                                                      
-CONECT332113321033212                                                           
-CONECT332123321133213                                                           
-CONECT332133320833212                                                           
-CONECT33214332153321833219                                                      
-CONECT33215332103321433216                                                      
-CONECT332163321533217                                                           
-CONECT332173321633218                                                           
-CONECT332183321433217                                                           
-CONECT3321933214                                                                
-CONECT332203322133225                                                           
-CONECT332213322033222                                                           
-CONECT33222332213322333227                                                      
-CONECT332233322233224                                                           
-CONECT332243322333225                                                           
-CONECT332253322033224                                                           
-CONECT33226332273323033231                                                      
-CONECT33227332223322633228                                                      
-CONECT332283322733229                                                           
-CONECT332293322833230                                                           
-CONECT332303322633229                                                           
-CONECT3323133226                                                                
-CONECT332323323333237                                                           
-CONECT332333323233234                                                           
-CONECT33234332333323533239                                                      
-CONECT332353323433236                                                           
-CONECT332363323533237                                                           
-CONECT332373323233236                                                           
-CONECT33238332393324233243                                                      
-CONECT33239332343323833240                                                      
-CONECT332403323933241                                                           
-CONECT332413324033242                                                           
-CONECT332423323833241                                                           
-CONECT3324333238                                                                
-CONECT332443324533249                                                           
-CONECT332453324433246                                                           
-CONECT33246332453324733251                                                      
-CONECT332473324633248                                                           
-CONECT332483324733249                                                           
-CONECT332493324433248                                                           
-CONECT33250332513325433255                                                      
-CONECT33251332463325033252                                                      
-CONECT332523325133253                                                           
-CONECT332533325233254                                                           
-CONECT332543325033253                                                           
-CONECT3325533250                                                                
-CONECT332563325733261                                                           
-CONECT332573325633258                                                           
-CONECT33258332573325933263                                                      
-CONECT332593325833260                                                           
-CONECT332603325933261                                                           
-CONECT332613325633260                                                           
-CONECT33262332633326633267                                                      
-CONECT33263332583326233264                                                      
-CONECT332643326333265                                                           
-CONECT332653326433266                                                           
-CONECT332663326233265                                                           
-CONECT3326733262                                                                
-CONECT332683326933273                                                           
-CONECT332693326833270                                                           
-CONECT33270332693327133275                                                      
-CONECT332713327033272                                                           
-CONECT332723327133273                                                           
-CONECT332733326833272                                                           
-CONECT33274332753327833279                                                      
-CONECT33275332703327433276                                                      
-CONECT332763327533277                                                           
-CONECT332773327633278                                                           
-CONECT332783327433277                                                           
-CONECT3327933274                                                                
-CONECT332803328133285                                                           
-CONECT332813328033282                                                           
-CONECT33282332813328333287                                                      
-CONECT332833328233284                                                           
-CONECT332843328333285                                                           
-CONECT332853328033284                                                           
-CONECT33286332873329033291                                                      
-CONECT33287332823328633288                                                      
-CONECT332883328733289                                                           
-CONECT332893328833290                                                           
-CONECT332903328633289                                                           
-CONECT3329133286                                                                
-CONECT332923329333297                                                           
-CONECT332933329233294                                                           
-CONECT33294332933329533299                                                      
-CONECT332953329433296                                                           
-CONECT332963329533297                                                           
-CONECT332973329233296                                                           
-CONECT33298332993330233303                                                      
-CONECT33299332943329833300                                                      
-CONECT333003329933301                                                           
-CONECT333013330033302                                                           
-CONECT333023329833301                                                           
-CONECT3330333298                                                                
-CONECT333043330533309                                                           
-CONECT333053330433306                                                           
-CONECT33306333053330733311                                                      
-CONECT333073330633308                                                           
-CONECT333083330733309                                                           
-CONECT333093330433308                                                           
-CONECT33310333113331433315                                                      
-CONECT33311333063331033312                                                      
-CONECT333123331133313                                                           
-CONECT333133331233314                                                           
-CONECT333143331033313                                                           
-CONECT3331533310                                                                
-CONECT333163331733321                                                           
-CONECT333173331633318                                                           
-CONECT33318333173331933323                                                      
-CONECT333193331833320                                                           
-CONECT333203331933321                                                           
-CONECT333213331633320                                                           
-CONECT33322333233332633327                                                      
-CONECT33323333183332233324                                                      
-CONECT333243332333325                                                           
-CONECT333253332433326                                                           
-CONECT333263332233325                                                           
-CONECT3332733322                                                                
-CONECT333283332933333                                                           
-CONECT333293332833330                                                           
-CONECT33330333293333133335                                                      
-CONECT333313333033332                                                           
-CONECT333323333133333                                                           
-CONECT333333332833332                                                           
-CONECT33334333353333833339                                                      
-CONECT33335333303333433336                                                      
-CONECT333363333533337                                                           
-CONECT333373333633338                                                           
-CONECT333383333433337                                                           
-CONECT3333933334                                                                
-MASTER      667    0   20   63  286    0   41   6334788   20  320  340          
-END                                                                             
diff --git a/example/hydrated_docking/AD4_water_forcefield.dat b/example/hydrated_docking/AD4_water_forcefield.dat
deleted file mode 100644
index 544cce8d..00000000
--- a/example/hydrated_docking/AD4_water_forcefield.dat
+++ /dev/null
@@ -1,123 +0,0 @@
-# 
-# Water forcefield potential : v.0.1 
-#    Please cite:  Stefano Forli and Arthur J. Olson, 
-#                  J. Med. Chem., 2012, 55 (2), pp 623-638
-#                  DOI: 10.1021/jm2005145
-#
-# AutoDock 
-# 
-# Copyright (C) 1989-2007,  Garrett M. Morris, David S. Goodsell, Ruth Huey, Arthur J. Olson, 
-# All Rights Reserved.
-# 
-# AutoDock is a Trade Mark of The Scripps Research Institute.
-# 
-# This program is free software; you can redistribute it and/or
-# modify it under the terms of the GNU General Public License
-# as published by the Free Software Foundation; either version 2
-# of the License, or (at your option) any later version.
-# 
-# This program is distributed in the hope that it will be useful,
-# but WITHOUT ANY WARRANTY; without even the implied warranty of
-# MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the
-# GNU General Public License for more details.
-# 
-# You should have received a copy of the GNU General Public License
-# along with this program; if not, write to the Free Software
-# Foundation, Inc., 51 Franklin Street, Fifth Floor, Boston, MA  02110-1301, USA.
-
-# AutoDock Linear Free Energy Model Coefficients and Energetic Parameters
-#                        Version 1.0
-#                     $Revision: 1.18 $
-
-# FE_unbound_model is used to specify how the internal energy of the
-# ligand should be treated when estimating the free energy of binding,
-# and can be set to one of the following strings:
-#   unbound_same_as_bound, extended, or compact
-# unbound_same_as_bound -- this assumes the internal energy of the ligand is the
-#                          same before and after binding.
-# extended -- this assumes the internal energy of the ligand is that of an 
-#             extended conformation when unbound.
-# compact -- this assumes the internal energy of the ligand is that of a 
-#            compact conformation when unbound.
-#FE_unbound_model extended
-
-# AutoDock 4 free energy coefficients with respect to original (AD2) energetic parameters
-#
-#               Free Energy Coefficient
-#               ------
-FE_coeff_vdW    0.1560
-FE_coeff_hbond  0.0974
-FE_coeff_estat  0.1465
-FE_coeff_desolv 0.1159
-FE_coeff_tors   0.2744
-
-# AutoDock 4 Energy Parameters
-
-# - Atomic solvation volumes and parameters
-# - Unweighted vdW and Unweighted H-bond Well Depths
-#
-# - Atom Types
-# - Rii = sum of vdW radii of two like atoms (in Angstrom)
-# - epsii = vdW well depth (in Kcal/mol)
-# - vol = atomic solvation volume (in Angstrom^3)
-# - solpar = atomic solvation parameter
-# - Rij_hb = H-bond radius of the heteroatom in contact with a hydrogen (in Angstrom)
-# - epsij_hb = well depth of H-bond (in Kcal/mol)
-# - hbond = integer indicating type of H-bonding atom (0=no H-bond)
-# - rec_index = initialised to -1, but later on holds count of how many of this atom type are in receptor
-# - map_index = initialised to -1, but later on holds the index of the AutoGrid map
-# - bond_index = used in AutoDock to detect bonds; see "mdist.h", enum {C,N,O,H,XX,P,S}
-#
-# - To obtain the Rij value for non H-bonding atoms, calculate the 
-#        arithmetic mean of the Rii values for the two atom types.
-#        Rij = (Rii + Rjj) / 2
-#
-# - To obtain the epsij value for non H-bonding atoms, calculate the 
-#        geometric mean of the epsii values for the two atom types.
-#        epsij = sqrt( epsii * epsjj )
-#
-# - Note that the Rij_hb value is non-zero for heteroatoms only, and zero for H atoms;
-#        to obtain the length of an H-bond, look up Rij_hb for the heteroatom only; 
-#        this is combined with the Rii value for H in the receptor, in AutoGrid.
-#        For example, the Rij_hb for OA-HD H-bonds will be (1.9 + 1.0) Angstrom, 
-#        and the weighted epsij_hb will be 5.0 kcal/mol * FE_coeff_hbond.
-#
-#        Atom   Rii                             Rij_hb       rec_index
-#        Type         epsii           solpar         epsij_hb    map_index
-#                            vol                          hbond     bond_index
-#        --     ----  -----  -------  --------  ---  ---  -  --  -- --
-atom_par H      2.00  0.020   0.0000   0.00051  0.0  0.0  0  -1  -1  3	# Non H-bonding Hydrogen
-atom_par HD     2.00  0.020   0.0000   0.00051  0.0  0.0  2  -1  -1  3	# Donor 1 H-bond Hydrogen
-atom_par HS     2.00  0.020   0.0000   0.00051  0.0  0.0  1  -1  -1  3	# Donor S Spherical Hydrogen
-atom_par C      4.00  0.150  33.5103  -0.00143  0.0  0.0  0  -1  -1  0	# Non H-bonding Aliphatic Carbon
-atom_par A      4.00  0.150  33.5103  -0.00052  0.0  0.0  0  -1  -1  0	# Non H-bonding Aromatic Carbon
-atom_par N      3.50  0.160  22.4493  -0.00162  0.0  0.0  0  -1  -1  1	# Non H-bonding Nitrogen
-atom_par NA     3.50  0.160  22.4493  -0.00162  1.9  5.0  4  -1  -1  1	# Acceptor 1 H-bond Nitrogen
-atom_par NS     3.50  0.160  22.4493  -0.00162  1.9  5.0  3  -1  -1  1	# Acceptor S Spherical Nitrogen
-atom_par OA     3.20  0.200  17.1573  -0.00251  1.9  5.0  5  -1  -1  2	# Acceptor 2 H-bonds Oxygen
-atom_par OS     3.20  0.200  17.1573  -0.00251  1.9  5.0  3  -1  -1  2	# Acceptor S Spherical Oxygen
-atom_par F      3.09  0.080  15.4480  -0.00110  0.0  0.0  0  -1  -1  4	# Non H-bonding Fluorine
-atom_par Mg     1.30  0.875   1.5600  -0.00110  0.0  0.0  0  -1  -1  4	# Non H-bonding Magnesium
-atom_par MG     1.30  0.875   1.5600  -0.00110  0.0  0.0  0  -1  -1  4	# Non H-bonding Magnesium
-atom_par P      4.20  0.200  38.7924  -0.00110  0.0  0.0  0  -1  -1  5	# Non H-bonding Phosphorus
-atom_par SA     4.00  0.200  33.5103  -0.00214  2.5  1.0  5  -1  -1  6	# Acceptor 2 H-bonds Sulphur
-atom_par S      4.00  0.200  33.5103  -0.00214  0.0  0.0  0  -1  -1  6	# Non H-bonding Sulphur
-atom_par Cl     4.09  0.276  35.8235  -0.00110  0.0  0.0  0  -1  -1  4	# Non H-bonding Chlorine
-atom_par CL     4.09  0.276  35.8235  -0.00110  0.0  0.0  0  -1  -1  4	# Non H-bonding Chlorine
-atom_par Ca     1.98  0.550   2.7700  -0.00110  0.0  0.0  0  -1  -1  4	# Non H-bonding Calcium
-atom_par CA     1.98  0.550   2.7700  -0.00110  0.0  0.0  0  -1  -1  4	# Non H-bonding Calcium
-atom_par Mn     1.30  0.875   2.1400  -0.00110  0.0  0.0  0  -1  -1  4	# Non H-bonding Manganese
-atom_par MN     1.30  0.875   2.1400  -0.00110  0.0  0.0  0  -1  -1  4	# Non H-bonding Manganese
-atom_par Fe     1.30  0.010   1.8400  -0.00110  0.0  0.0  0  -1  -1  4	# Non H-bonding Iron
-atom_par FE     1.30  0.010   1.8400  -0.00110  0.0  0.0  0  -1  -1  4	# Non H-bonding Iron
-atom_par Zn     1.48  0.550   1.7000  -0.00110  0.0  0.0  0  -1  -1  4	# Non H-bonding Zinc
-atom_par ZN     1.48  0.550   1.7000  -0.00110  0.0  0.0  0  -1  -1  4	# Non H-bonding Zinc
-atom_par Br     4.33  0.389  42.5661  -0.00110  0.0  0.0  0  -1  -1  4	# Non H-bonding Bromine
-atom_par BR     4.33  0.389  42.5661  -0.00110  0.0  0.0  0  -1  -1  4	# Non H-bonding Bromine
-atom_par I      4.72  0.550  55.0585  -0.00110  0.0  0.0  0  -1  -1  4	# Non H-bonding Iodine
-atom_par Z      4.00  0.150  33.5103  -0.00143  0.0  0.0  0  -1  -1  0  # Non H-bonding covalent map
-atom_par G      4.00  0.150  33.5103  -0.00143  0.0  0.0  0  -1  -1  0	# Ring closure Glue Aliphatic Carbon  # SF
-atom_par GA     4.00  0.150  33.5103  -0.00052  0.0  0.0  0  -1  -1  0	# Ring closure Glue Aromatic Carbon   # SF
-atom_par J      4.00  0.150  33.5103  -0.00143  0.0  0.0  0  -1  -1  0	# Ring closure Glue Aliphatic Carbon  # SF
-atom_par Q      4.00  0.150  33.5103  -0.00143  0.0  0.0  0  -1  -1  0	# Ring closure Glue Aliphatic Carbon  # SF
-atom_par W      0.00  0.200  17.1573  -0.00251  1.9  5.0  5  -1  -1  2	# Water pseudo-atom
diff --git a/example/hydrated_docking/FULL_HYDRATED_DOCKING_RUN.sh b/example/hydrated_docking/FULL_HYDRATED_DOCKING_RUN.sh
deleted file mode 100644
index 45d1b00e..00000000
--- a/example/hydrated_docking/FULL_HYDRATED_DOCKING_RUN.sh
+++ /dev/null
@@ -1,9 +0,0 @@
-./wet.py -i ligand.pdbqt
-# edit the GPF before this step...
-autogrid4 -p protein.gpf -l protein.glg
-./mapwater.py  -r protein.pdbqt -s protein.W.map
-# edit the DPF before this step...
-autodock4 -p ligand_HYDRO_protein.dpf -l ligand_HYDRO_protein.dlg
-./dry.py -c -r protein.pdbqt -c -m protein.W.map -i ligand_HYDRO_protein.dlg
-
-
diff --git a/example/hydrated_docking/README.txt b/example/hydrated_docking/README.txt
deleted file mode 100644
index 347727b5..00000000
--- a/example/hydrated_docking/README.txt
+++ /dev/null
@@ -1,62 +0,0 @@
-HYDRATED DOCKING PROTOCOL
-=========================
-
-NOTES
-
-- This protocol assumes all the files have been already prepared for a standard docking
-  protocol (i.e. ligand and receptor structures; GPF and DPF parameter files).
-
-- Help for all the scripts can be accessed by running them with no options.
-
-- The directory 'example' contains a case study with both input and output files from a
-  typical hydrated docking calculation.
-
-
-
-1. Add W atoms to the ligands
-------------------------------
-The W atoms must be added to a PDBQT file. By default the hydrated ligand is saved with
-the "_HYDRO" suffix added (i.e. ligand.pdbqt => ligand_HYDRO.pdbqt).
-
-     $ wet.py -i ligand.pdbqt
-
-
-2. Calculate grid maps
-----------------------
-Calculate the grid maps following the standard AutoDock protocol, checking that OA and HD 
-types are present in the ligand atom set. If not, the GPF file must be modified to include 
-them; i.e. :
-       - add OA and HD to the line "ligand_types .... "
-       - add lines "map protein.HD.map" and "map protein.OA.map"
-
-
-3. Generate the W map
----------------------
-Water maps are generated by combining OA and HD maps. If standard filenames are used for 
-maps (i.e. receptor = protein.pdbqt >> maps = protein.OA.map, protein.HD.map), only the 
-receptor name must be specified:
-
-    $ mapwater.py -r protein.pdbqt -s protein.W.map
-
-
-4. Run dockings
----------------
-Prepare the DPF containing the keyword "parameter_file AD4_water_forcefield.dat", and add
-the W type map ("protein.W.map"), then run the docking.
-
-
-
-5. Extract and score the results
---------------------------------
-Docking results are filtered by using the receptor to remove diplaced waters and the W
-map file to rank the conserved ones. By default, the LELC pose is extracted as result.
-
-    $ dry.py -c -r protein.pdbqt -c -m protein.W.map -i ligand_HYDRO_protein.dlg
-
-
-Waters are ranked (STRONG, WEAK) and scored inside the output file ("*_LELC_DRY_SCORED.pdbqt") with the 
-calculated energy.
-
-    ...
-    REMARK  STRONG water ( score: -0.91 )
-    ...
diff --git a/example/hydrated_docking/ligand.pdbqt b/example/hydrated_docking/ligand.pdbqt
deleted file mode 100644
index 0e0fc0fd..00000000
--- a/example/hydrated_docking/ligand.pdbqt
+++ /dev/null
@@ -1,21 +0,0 @@
-REMARK  1 active torsions:
-REMARK  status: ('A' for Active; 'I' for Inactive)
-REMARK    1  A    between atoms: C2_3  and  C6_8 
-ROOT
-HETATM    1  N2  NCT E1206      66.636  41.442  -2.464  1.00 22.84    -0.067 N 
-HETATM    2  C6  NCT E1206      65.758  40.826  -1.419  1.00 23.21     0.222 C 
-HETATM    3  C7  NCT E1206      64.500  41.663  -1.384  1.00 24.64     0.040 C 
-HETATM    4  C8  NCT E1206      64.782  42.934  -2.162  1.00 22.89     0.030 C 
-HETATM    5  C9  NCT E1206      66.061  42.699  -2.934  1.00 23.46     0.235 C 
-HETATM    6  C10 NCT E1206      67.953  41.785  -1.898  1.00 20.24     0.270 C 
-HETATM    7  H01 NCT E1206      66.721  40.770  -3.213  1.00 22.84     0.280 HD
-ENDROOT
-BRANCH   2   8
-HETATM    8  C2  NCT E1206      65.465  39.398  -1.758  1.00 22.63    -0.010 A 
-HETATM    9  C1  NCT E1206      65.410  38.944  -3.087  1.00 24.23     0.125 A 
-HETATM   10  N1  NCT E1206      65.181  37.651  -3.405  1.00 23.15    -0.273 NA
-HETATM   11  C5  NCT E1206      64.991  36.740  -2.434  1.00 23.65     0.116 A 
-HETATM   12  C4  NCT E1206      65.028  37.131  -1.090  1.00 23.20     0.020 A 
-HETATM   13  C3  NCT E1206      65.278  38.464  -0.753  1.00 22.92     0.012 A 
-ENDBRANCH   2   8
-TORSDOF 1
diff --git a/example/hydrated_docking/ligand_HYDRO.pdbqt b/example/hydrated_docking/ligand_HYDRO.pdbqt
deleted file mode 100644
index fd42f468..00000000
--- a/example/hydrated_docking/ligand_HYDRO.pdbqt
+++ /dev/null
@@ -1,23 +0,0 @@
-REMARK  1 active torsions:
-REMARK  status: ('A' for Active; 'I' for Inactive)
-REMARK    1  A    between atoms: C2_3  and  C6_8 
-ROOT
-HETATM    1  N2  NCT E1206      66.636  41.442  -2.464  1.00 22.84    -0.067 N 
-HETATM    2  C6  NCT E1206      65.758  40.826  -1.419  1.00 23.21     0.222 C 
-HETATM    3  C7  NCT E1206      64.500  41.663  -1.384  1.00 24.64     0.040 C 
-HETATM    4  C8  NCT E1206      64.782  42.934  -2.162  1.00 22.89     0.030 C 
-HETATM    5  C9  NCT E1206      66.061  42.699  -2.934  1.00 23.46     0.235 C 
-HETATM    6  C10 NCT E1206      67.953  41.785  -1.898  1.00 20.24     0.270 C 
-HETATM    7  H01 NCT E1206      66.721  40.770  -3.213  1.00 22.84     0.280 HD
-HETATM    8  W   WAT X  99      66.889  39.439  -4.696  1.00 10.00     0.000 W
-ENDROOT
-BRANCH 2 9
-HETATM    9  C2  NCT E1206      65.465  39.398  -1.758  1.00 22.63    -0.010 A 
-HETATM   10  C1  NCT E1206      65.410  38.944  -3.087  1.00 24.23     0.125 A 
-HETATM   11  N1  NCT E1206      65.181  37.651  -3.405  1.00 23.15    -0.273 NA
-HETATM   12  W   WAT X  99      65.092  36.798  -6.280  1.00 10.00     0.000 W
-HETATM   13  C5  NCT E1206      64.991  36.740  -2.434  1.00 23.65     0.116 A 
-HETATM   14  C4  NCT E1206      65.028  37.131  -1.090  1.00 23.20     0.020 A 
-HETATM   15  C3  NCT E1206      65.278  38.464  -0.753  1.00 22.92     0.012 A 
-ENDBRANCH 2 9
-TORSDOF 1
diff --git a/example/hydrated_docking/ligand_HYDRO_protein.dlg b/example/hydrated_docking/ligand_HYDRO_protein.dlg
deleted file mode 100644
index 5f88d9f2..00000000
--- a/example/hydrated_docking/ligand_HYDRO_protein.dlg
+++ /dev/null
@@ -1,3461 +0,0 @@
-      ________________________________________________________________
-
-__________//___________________________/////___________________/____________
-_________/__/__________________________/____/__________________/____________
-________/____/___________/_____________/_____/_________________/____________
-________/____/__/_____/_/////___/////__/_____/__/////___/////__/___/________
-_______/______/_/_____/__/_____/_____/_/_____/_/_____/_/_____/_/_//_________
-_______////////_/_____/__/_____/_____/_/_____/_/_____/_/_______//_/_________
-_______/______/_/____//__/___/_/_____/_/____/__/_____/_/_____/_/___/________
-_______/______/__////_/___///___/////__/////____/////___/////__/____/_______
-
-      ________________________________________________________________
-
-                                ______
-                               /      \
-                              /        \
-                             /          \
-                             \    /\    /
-                              \  /  \  /
-                               \/ /\ \/
-                                 /  \
-                                /____\
-
-                  ______________________________________ 
-                 |                                      |
-                 |      AutoDock 4.2 Release 4.2.4.x.20110726   |
-                 |            (c) 1989-2009             |
-                 |    The Scripps Research Institute    |
-                 |                                      |
-                 |        Garrett M. Morris, TSRI       |
-                 |            Ruth Huey, TSRI           |
-                 |          Michael Pique, TSRI         |
-                 |        William E. Hart, Sandia       |
-                 |   R. Scott Halliday, Hewlett Packard |
-                 |        William Lindstrom, TSRI       |
-                 |           Max Chang, TSRI            |
-                 |        Alexander Gillet, TSRI        |
-                 |         Stefano Forli, TSRI          |
-                 |        Richard K. Belew, UCSD        |
-                 |       David S. Goodsell, TSRI        |
-                 |        Arthur J. Olson, TSRI         |
-                 |______________________________________|
-
-                  ______________________________________ 
-                 |                                      |
-                 | Automated Docking of Flexible Ligand |
-                 |  to Flexible Macromolecular Receptor |
-                 |                                      |
-                 | For help, email autodock@scripps.edu |
-                 |______________________________________|
-
-
-        AutoDock comes with ABSOLUTELY NO WARRANTY.
-        AutoDock is free software, and you are welcome
-        to redistribute it under certain conditions;
-        for details type 'autodock -C'
-
-                           $Revision: 1.158 $
-
-                   Compiled on Jan 17 2012 at 14:57:09
-
-
-This file was created at:			4:35 39" p.m., 01/26/2012
-                   using:			"atara"
-
-NOTE: "rus" stands for:
-
-      r = Real, wall-clock or elapsed time;
-      u = User or cpu-usage time;
-      s = System time
-
-All timings are in seconds, unless otherwise stated.
-
-
-
-      ________________________________________________________________
-
-                   SETTING UP DEFAULT PARAMETER LIBRARY
-      ________________________________________________________________
-
-
-Setting up parameter library with AutoDock default Unbound_Same_As_Bound values.
-
-
-Free energy coefficient for the van der Waals term = 	0.1662
-
-Free energy coefficient for the H-bonding term     = 	0.1209
-
-Free energy coefficient for the electrostatic term = 	0.1406
-
-Free energy coefficient for the desolvation term   = 	0.1322
-
-Free energy coefficient for the torsional term     = 	0.2983
-
-autodock4: WARNING: atom type H not found in the xs_vdw_lookup table.
-
-Parameters for the atom type "H" were initialised with the following default values:
-
-	R-eqm = 2.00 Angstrom,  weighted epsilon = 0.003,
-	At.frag.vol. = 0.000,  At.solv.par. = 0.001,
-	Hb R-eqm = 0.000,  weighted Hb epsilon = 0.000,
-	Hb type = 0,  bond index = 3
-
-autodock4: WARNING: atom type HD not found in the xs_vdw_lookup table.
-
-Parameters for the atom type "HD" were initialised with the following default values:
-
-	R-eqm = 2.00 Angstrom,  weighted epsilon = 0.003,
-	At.frag.vol. = 0.000,  At.solv.par. = 0.001,
-	Hb R-eqm = 0.000,  weighted Hb epsilon = 0.000,
-	Hb type = 2,  bond index = 3
-
-autodock4: WARNING: atom type HS not found in the xs_vdw_lookup table.
-
-Parameters for the atom type "HS" were initialised with the following default values:
-
-	R-eqm = 2.00 Angstrom,  weighted epsilon = 0.003,
-	At.frag.vol. = 0.000,  At.solv.par. = 0.001,
-	Hb R-eqm = 0.000,  weighted Hb epsilon = 0.000,
-	Hb type = 1,  bond index = 3
-
-Parameters for the atom type "C" were initialised with the following default values:
-
-	R-eqm = 4.00 Angstrom,  weighted epsilon = 0.025,
-	At.frag.vol. = 33.510,  At.solv.par. = -0.001,
-	Hb R-eqm = 0.000,  weighted Hb epsilon = 0.000,
-	Hb type = 0,  bond index = 0
-
-Parameters for the atom type "A" were initialised with the following default values:
-
-	R-eqm = 4.00 Angstrom,  weighted epsilon = 0.025,
-	At.frag.vol. = 33.510,  At.solv.par. = -0.001,
-	Hb R-eqm = 0.000,  weighted Hb epsilon = 0.000,
-	Hb type = 0,  bond index = 0
-
-Parameters for the atom type "N" were initialised with the following default values:
-
-	R-eqm = 3.50 Angstrom,  weighted epsilon = 0.027,
-	At.frag.vol. = 22.449,  At.solv.par. = -0.002,
-	Hb R-eqm = 0.000,  weighted Hb epsilon = 0.000,
-	Hb type = 0,  bond index = 1
-
-Parameters for the atom type "NA" were initialised with the following default values:
-
-	R-eqm = 3.50 Angstrom,  weighted epsilon = 0.027,
-	At.frag.vol. = 22.449,  At.solv.par. = -0.002,
-	Hb R-eqm = 1.900,  weighted Hb epsilon = 0.604,
-	Hb type = 4,  bond index = 1
-
-Parameters for the atom type "NS" were initialised with the following default values:
-
-	R-eqm = 3.50 Angstrom,  weighted epsilon = 0.027,
-	At.frag.vol. = 22.449,  At.solv.par. = -0.002,
-	Hb R-eqm = 1.900,  weighted Hb epsilon = 0.604,
-	Hb type = 3,  bond index = 1
-
-Parameters for the atom type "OA" were initialised with the following default values:
-
-	R-eqm = 3.20 Angstrom,  weighted epsilon = 0.033,
-	At.frag.vol. = 17.157,  At.solv.par. = -0.003,
-	Hb R-eqm = 1.900,  weighted Hb epsilon = 0.604,
-	Hb type = 5,  bond index = 2
-
-Parameters for the atom type "OS" were initialised with the following default values:
-
-	R-eqm = 3.20 Angstrom,  weighted epsilon = 0.033,
-	At.frag.vol. = 17.157,  At.solv.par. = -0.003,
-	Hb R-eqm = 1.900,  weighted Hb epsilon = 0.604,
-	Hb type = 3,  bond index = 2
-
-Parameters for the atom type "F" were initialised with the following default values:
-
-	R-eqm = 3.09 Angstrom,  weighted epsilon = 0.013,
-	At.frag.vol. = 15.448,  At.solv.par. = -0.001,
-	Hb R-eqm = 0.000,  weighted Hb epsilon = 0.000,
-	Hb type = 0,  bond index = 4
-
-Parameters for the atom type "Mg" were initialised with the following default values:
-
-	R-eqm = 1.30 Angstrom,  weighted epsilon = 0.145,
-	At.frag.vol. = 1.560,  At.solv.par. = -0.001,
-	Hb R-eqm = 0.000,  weighted Hb epsilon = 0.000,
-	Hb type = 0,  bond index = 4
-
-Parameters for the atom type "MG" were initialised with the following default values:
-
-	R-eqm = 1.30 Angstrom,  weighted epsilon = 0.145,
-	At.frag.vol. = 1.560,  At.solv.par. = -0.001,
-	Hb R-eqm = 0.000,  weighted Hb epsilon = 0.000,
-	Hb type = 0,  bond index = 4
-
-Parameters for the atom type "P" were initialised with the following default values:
-
-	R-eqm = 4.20 Angstrom,  weighted epsilon = 0.033,
-	At.frag.vol. = 38.792,  At.solv.par. = -0.001,
-	Hb R-eqm = 0.000,  weighted Hb epsilon = 0.000,
-	Hb type = 0,  bond index = 5
-
-Parameters for the atom type "SA" were initialised with the following default values:
-
-	R-eqm = 4.00 Angstrom,  weighted epsilon = 0.033,
-	At.frag.vol. = 33.510,  At.solv.par. = -0.002,
-	Hb R-eqm = 2.500,  weighted Hb epsilon = 0.121,
-	Hb type = 5,  bond index = 6
-
-Parameters for the atom type "S" were initialised with the following default values:
-
-	R-eqm = 4.00 Angstrom,  weighted epsilon = 0.033,
-	At.frag.vol. = 33.510,  At.solv.par. = -0.002,
-	Hb R-eqm = 0.000,  weighted Hb epsilon = 0.000,
-	Hb type = 0,  bond index = 6
-
-autodock4: WARNING: atom type Cl not found in the xs_vdw_lookup table.
-
-Parameters for the atom type "Cl" were initialised with the following default values:
-
-	R-eqm = 4.09 Angstrom,  weighted epsilon = 0.046,
-	At.frag.vol. = 35.824,  At.solv.par. = -0.001,
-	Hb R-eqm = 0.000,  weighted Hb epsilon = 0.000,
-	Hb type = 0,  bond index = 4
-
-autodock4: WARNING: atom type CL not found in the xs_vdw_lookup table.
-
-Parameters for the atom type "CL" were initialised with the following default values:
-
-	R-eqm = 4.09 Angstrom,  weighted epsilon = 0.046,
-	At.frag.vol. = 35.824,  At.solv.par. = -0.001,
-	Hb R-eqm = 0.000,  weighted Hb epsilon = 0.000,
-	Hb type = 0,  bond index = 4
-
-autodock4: WARNING: atom type Ca not found in the xs_vdw_lookup table.
-
-Parameters for the atom type "Ca" were initialised with the following default values:
-
-	R-eqm = 1.98 Angstrom,  weighted epsilon = 0.091,
-	At.frag.vol. = 2.770,  At.solv.par. = -0.001,
-	Hb R-eqm = 0.000,  weighted Hb epsilon = 0.000,
-	Hb type = 0,  bond index = 4
-
-autodock4: WARNING: atom type CA not found in the xs_vdw_lookup table.
-
-Parameters for the atom type "CA" were initialised with the following default values:
-
-	R-eqm = 1.98 Angstrom,  weighted epsilon = 0.091,
-	At.frag.vol. = 2.770,  At.solv.par. = -0.001,
-	Hb R-eqm = 0.000,  weighted Hb epsilon = 0.000,
-	Hb type = 0,  bond index = 4
-
-autodock4: WARNING: atom type Mn not found in the xs_vdw_lookup table.
-
-Parameters for the atom type "Mn" were initialised with the following default values:
-
-	R-eqm = 1.30 Angstrom,  weighted epsilon = 0.145,
-	At.frag.vol. = 2.140,  At.solv.par. = -0.001,
-	Hb R-eqm = 0.000,  weighted Hb epsilon = 0.000,
-	Hb type = 0,  bond index = 4
-
-autodock4: WARNING: atom type MN not found in the xs_vdw_lookup table.
-
-Parameters for the atom type "MN" were initialised with the following default values:
-
-	R-eqm = 1.30 Angstrom,  weighted epsilon = 0.145,
-	At.frag.vol. = 2.140,  At.solv.par. = -0.001,
-	Hb R-eqm = 0.000,  weighted Hb epsilon = 0.000,
-	Hb type = 0,  bond index = 4
-
-autodock4: WARNING: atom type Fe not found in the xs_vdw_lookup table.
-
-Parameters for the atom type "Fe" were initialised with the following default values:
-
-	R-eqm = 1.30 Angstrom,  weighted epsilon = 0.002,
-	At.frag.vol. = 1.840,  At.solv.par. = -0.001,
-	Hb R-eqm = 0.000,  weighted Hb epsilon = 0.000,
-	Hb type = 0,  bond index = 4
-
-autodock4: WARNING: atom type FE not found in the xs_vdw_lookup table.
-
-Parameters for the atom type "FE" were initialised with the following default values:
-
-	R-eqm = 1.30 Angstrom,  weighted epsilon = 0.002,
-	At.frag.vol. = 1.840,  At.solv.par. = -0.001,
-	Hb R-eqm = 0.000,  weighted Hb epsilon = 0.000,
-	Hb type = 0,  bond index = 4
-
-autodock4: WARNING: atom type Zn not found in the xs_vdw_lookup table.
-
-Parameters for the atom type "Zn" were initialised with the following default values:
-
-	R-eqm = 1.48 Angstrom,  weighted epsilon = 0.091,
-	At.frag.vol. = 1.700,  At.solv.par. = -0.001,
-	Hb R-eqm = 0.000,  weighted Hb epsilon = 0.000,
-	Hb type = 0,  bond index = 4
-
-autodock4: WARNING: atom type ZN not found in the xs_vdw_lookup table.
-
-Parameters for the atom type "ZN" were initialised with the following default values:
-
-	R-eqm = 1.48 Angstrom,  weighted epsilon = 0.091,
-	At.frag.vol. = 1.700,  At.solv.par. = -0.001,
-	Hb R-eqm = 0.000,  weighted Hb epsilon = 0.000,
-	Hb type = 0,  bond index = 4
-
-autodock4: WARNING: atom type Br not found in the xs_vdw_lookup table.
-
-Parameters for the atom type "Br" were initialised with the following default values:
-
-	R-eqm = 4.33 Angstrom,  weighted epsilon = 0.065,
-	At.frag.vol. = 42.566,  At.solv.par. = -0.001,
-	Hb R-eqm = 0.000,  weighted Hb epsilon = 0.000,
-	Hb type = 0,  bond index = 4
-
-autodock4: WARNING: atom type BR not found in the xs_vdw_lookup table.
-
-Parameters for the atom type "BR" were initialised with the following default values:
-
-	R-eqm = 4.33 Angstrom,  weighted epsilon = 0.065,
-	At.frag.vol. = 42.566,  At.solv.par. = -0.001,
-	Hb R-eqm = 0.000,  weighted Hb epsilon = 0.000,
-	Hb type = 0,  bond index = 4
-
-autodock4: WARNING: atom type I not found in the xs_vdw_lookup table.
-
-Parameters for the atom type "I" were initialised with the following default values:
-
-	R-eqm = 4.72 Angstrom,  weighted epsilon = 0.091,
-	At.frag.vol. = 55.059,  At.solv.par. = -0.001,
-	Hb R-eqm = 0.000,  weighted Hb epsilon = 0.000,
-	Hb type = 0,  bond index = 4
-
-autodock4: WARNING: atom type Z not found in the xs_vdw_lookup table.
-
-Parameters for the atom type "Z" were initialised with the following default values:
-
-	R-eqm = 4.00 Angstrom,  weighted epsilon = 0.025,
-	At.frag.vol. = 33.510,  At.solv.par. = -0.001,
-	Hb R-eqm = 0.000,  weighted Hb epsilon = 0.000,
-	Hb type = 0,  bond index = 0
-
-autodock4: WARNING: atom type G not found in the xs_vdw_lookup table.
-
-Parameters for the atom type "G" were initialised with the following default values:
-
-	R-eqm = 4.00 Angstrom,  weighted epsilon = 0.025,
-	At.frag.vol. = 33.510,  At.solv.par. = -0.001,
-	Hb R-eqm = 0.000,  weighted Hb epsilon = 0.000,
-	Hb type = 0,  bond index = 0
-
-autodock4: WARNING: atom type GA not found in the xs_vdw_lookup table.
-
-Parameters for the atom type "GA" were initialised with the following default values:
-
-	R-eqm = 4.00 Angstrom,  weighted epsilon = 0.025,
-	At.frag.vol. = 33.510,  At.solv.par. = -0.001,
-	Hb R-eqm = 0.000,  weighted Hb epsilon = 0.000,
-	Hb type = 0,  bond index = 0
-
-autodock4: WARNING: atom type J not found in the xs_vdw_lookup table.
-
-Parameters for the atom type "J" were initialised with the following default values:
-
-	R-eqm = 4.00 Angstrom,  weighted epsilon = 0.025,
-	At.frag.vol. = 33.510,  At.solv.par. = -0.001,
-	Hb R-eqm = 0.000,  weighted Hb epsilon = 0.000,
-	Hb type = 0,  bond index = 0
-
-autodock4: WARNING: atom type Q not found in the xs_vdw_lookup table.
-
-Parameters for the atom type "Q" were initialised with the following default values:
-
-	R-eqm = 4.00 Angstrom,  weighted epsilon = 0.025,
-	At.frag.vol. = 33.510,  At.solv.par. = -0.001,
-	Hb R-eqm = 0.000,  weighted Hb epsilon = 0.000,
-	Hb type = 0,  bond index = 0
-
-
-
-Preparing Energy Tables for Bound Calculation:
-
-Calculating distance-dependent dielectric function using the method of Mehler & Solmajer
-
-
-Preparing Energy Tables for Unbound Calculation:
-
-Calculating distance-dependent dielectric function using the method of Mehler & Solmajer
-
-
-
-      ___________________________________________________
-
-             PARSING INPUT DOCKING PARAMETER FILE
-      ___________________________________________________
-
-Docking parameter file (DPF) used for this docking:		ligand_HYDRO_protein.dpf
-
-
-
-DPF> autodock_parameter_version 4.2       # used by autodock to validate parameter set
-
-
-	Autodock parameter version 4.2.
-
-
-DPF> parameter_file AD4_water_forcefield.dat
-
-Using read_parameter_library() to try to open and read "AD4_water_forcefield.dat".
-
-Free energy coefficient for the van der Waals term = 	0.1560
-
-Free energy coefficient for the H-bonding term     = 	0.0974
-
-Free energy coefficient for the electrostatic term = 	0.1465
-
-Free energy coefficient for the desolvation term   = 	0.1159
-
-Free energy coefficient for the torsional term     = 	0.2744
-
-Parameters for the atom type "H" were read in from "AD4_water_forcefield.dat" as follows:
-
-	R-eqm = 2.00 Angstrom,  weighted epsilon = 0.003,
-	At.frag.vol. = 0.000,  At.solv.par. = 0.001,
-	Hb R-eqm = 0.000,  weighted Hb epsilon = 0.000,
-	Hb type = 0,  bond index = 3
-
-Parameters for the atom type "HD" were read in from "AD4_water_forcefield.dat" as follows:
-
-	R-eqm = 2.00 Angstrom,  weighted epsilon = 0.003,
-	At.frag.vol. = 0.000,  At.solv.par. = 0.001,
-	Hb R-eqm = 0.000,  weighted Hb epsilon = 0.000,
-	Hb type = 2,  bond index = 3
-
-Parameters for the atom type "HS" were read in from "AD4_water_forcefield.dat" as follows:
-
-	R-eqm = 2.00 Angstrom,  weighted epsilon = 0.003,
-	At.frag.vol. = 0.000,  At.solv.par. = 0.001,
-	Hb R-eqm = 0.000,  weighted Hb epsilon = 0.000,
-	Hb type = 1,  bond index = 3
-
-Parameters for the atom type "C" were read in from "AD4_water_forcefield.dat" as follows:
-
-	R-eqm = 4.00 Angstrom,  weighted epsilon = 0.023,
-	At.frag.vol. = 33.510,  At.solv.par. = -0.001,
-	Hb R-eqm = 0.000,  weighted Hb epsilon = 0.000,
-	Hb type = 0,  bond index = 0
-
-Parameters for the atom type "A" were read in from "AD4_water_forcefield.dat" as follows:
-
-	R-eqm = 4.00 Angstrom,  weighted epsilon = 0.023,
-	At.frag.vol. = 33.510,  At.solv.par. = -0.001,
-	Hb R-eqm = 0.000,  weighted Hb epsilon = 0.000,
-	Hb type = 0,  bond index = 0
-
-Parameters for the atom type "N" were read in from "AD4_water_forcefield.dat" as follows:
-
-	R-eqm = 3.50 Angstrom,  weighted epsilon = 0.025,
-	At.frag.vol. = 22.449,  At.solv.par. = -0.002,
-	Hb R-eqm = 0.000,  weighted Hb epsilon = 0.000,
-	Hb type = 0,  bond index = 1
-
-Parameters for the atom type "NA" were read in from "AD4_water_forcefield.dat" as follows:
-
-	R-eqm = 3.50 Angstrom,  weighted epsilon = 0.025,
-	At.frag.vol. = 22.449,  At.solv.par. = -0.002,
-	Hb R-eqm = 1.900,  weighted Hb epsilon = 0.487,
-	Hb type = 4,  bond index = 1
-
-Parameters for the atom type "NS" were read in from "AD4_water_forcefield.dat" as follows:
-
-	R-eqm = 3.50 Angstrom,  weighted epsilon = 0.025,
-	At.frag.vol. = 22.449,  At.solv.par. = -0.002,
-	Hb R-eqm = 1.900,  weighted Hb epsilon = 0.487,
-	Hb type = 3,  bond index = 1
-
-Parameters for the atom type "OA" were read in from "AD4_water_forcefield.dat" as follows:
-
-	R-eqm = 3.20 Angstrom,  weighted epsilon = 0.031,
-	At.frag.vol. = 17.157,  At.solv.par. = -0.003,
-	Hb R-eqm = 1.900,  weighted Hb epsilon = 0.487,
-	Hb type = 5,  bond index = 2
-
-Parameters for the atom type "OS" were read in from "AD4_water_forcefield.dat" as follows:
-
-	R-eqm = 3.20 Angstrom,  weighted epsilon = 0.031,
-	At.frag.vol. = 17.157,  At.solv.par. = -0.003,
-	Hb R-eqm = 1.900,  weighted Hb epsilon = 0.487,
-	Hb type = 3,  bond index = 2
-
-Parameters for the atom type "F" were read in from "AD4_water_forcefield.dat" as follows:
-
-	R-eqm = 3.09 Angstrom,  weighted epsilon = 0.012,
-	At.frag.vol. = 15.448,  At.solv.par. = -0.001,
-	Hb R-eqm = 0.000,  weighted Hb epsilon = 0.000,
-	Hb type = 0,  bond index = 4
-
-Parameters for the atom type "Mg" were read in from "AD4_water_forcefield.dat" as follows:
-
-	R-eqm = 1.30 Angstrom,  weighted epsilon = 0.137,
-	At.frag.vol. = 1.560,  At.solv.par. = -0.001,
-	Hb R-eqm = 0.000,  weighted Hb epsilon = 0.000,
-	Hb type = 0,  bond index = 4
-
-Parameters for the atom type "MG" were read in from "AD4_water_forcefield.dat" as follows:
-
-	R-eqm = 1.30 Angstrom,  weighted epsilon = 0.137,
-	At.frag.vol. = 1.560,  At.solv.par. = -0.001,
-	Hb R-eqm = 0.000,  weighted Hb epsilon = 0.000,
-	Hb type = 0,  bond index = 4
-
-Parameters for the atom type "P" were read in from "AD4_water_forcefield.dat" as follows:
-
-	R-eqm = 4.20 Angstrom,  weighted epsilon = 0.031,
-	At.frag.vol. = 38.792,  At.solv.par. = -0.001,
-	Hb R-eqm = 0.000,  weighted Hb epsilon = 0.000,
-	Hb type = 0,  bond index = 5
-
-Parameters for the atom type "SA" were read in from "AD4_water_forcefield.dat" as follows:
-
-	R-eqm = 4.00 Angstrom,  weighted epsilon = 0.031,
-	At.frag.vol. = 33.510,  At.solv.par. = -0.002,
-	Hb R-eqm = 2.500,  weighted Hb epsilon = 0.097,
-	Hb type = 5,  bond index = 6
-
-Parameters for the atom type "S" were read in from "AD4_water_forcefield.dat" as follows:
-
-	R-eqm = 4.00 Angstrom,  weighted epsilon = 0.031,
-	At.frag.vol. = 33.510,  At.solv.par. = -0.002,
-	Hb R-eqm = 0.000,  weighted Hb epsilon = 0.000,
-	Hb type = 0,  bond index = 6
-
-Parameters for the atom type "Cl" were read in from "AD4_water_forcefield.dat" as follows:
-
-	R-eqm = 4.09 Angstrom,  weighted epsilon = 0.043,
-	At.frag.vol. = 35.824,  At.solv.par. = -0.001,
-	Hb R-eqm = 0.000,  weighted Hb epsilon = 0.000,
-	Hb type = 0,  bond index = 4
-
-Parameters for the atom type "CL" were read in from "AD4_water_forcefield.dat" as follows:
-
-	R-eqm = 4.09 Angstrom,  weighted epsilon = 0.043,
-	At.frag.vol. = 35.824,  At.solv.par. = -0.001,
-	Hb R-eqm = 0.000,  weighted Hb epsilon = 0.000,
-	Hb type = 0,  bond index = 4
-
-Parameters for the atom type "Ca" were read in from "AD4_water_forcefield.dat" as follows:
-
-	R-eqm = 1.98 Angstrom,  weighted epsilon = 0.086,
-	At.frag.vol. = 2.770,  At.solv.par. = -0.001,
-	Hb R-eqm = 0.000,  weighted Hb epsilon = 0.000,
-	Hb type = 0,  bond index = 4
-
-Parameters for the atom type "CA" were read in from "AD4_water_forcefield.dat" as follows:
-
-	R-eqm = 1.98 Angstrom,  weighted epsilon = 0.086,
-	At.frag.vol. = 2.770,  At.solv.par. = -0.001,
-	Hb R-eqm = 0.000,  weighted Hb epsilon = 0.000,
-	Hb type = 0,  bond index = 4
-
-Parameters for the atom type "Mn" were read in from "AD4_water_forcefield.dat" as follows:
-
-	R-eqm = 1.30 Angstrom,  weighted epsilon = 0.137,
-	At.frag.vol. = 2.140,  At.solv.par. = -0.001,
-	Hb R-eqm = 0.000,  weighted Hb epsilon = 0.000,
-	Hb type = 0,  bond index = 4
-
-Parameters for the atom type "MN" were read in from "AD4_water_forcefield.dat" as follows:
-
-	R-eqm = 1.30 Angstrom,  weighted epsilon = 0.137,
-	At.frag.vol. = 2.140,  At.solv.par. = -0.001,
-	Hb R-eqm = 0.000,  weighted Hb epsilon = 0.000,
-	Hb type = 0,  bond index = 4
-
-Parameters for the atom type "Fe" were read in from "AD4_water_forcefield.dat" as follows:
-
-	R-eqm = 1.30 Angstrom,  weighted epsilon = 0.002,
-	At.frag.vol. = 1.840,  At.solv.par. = -0.001,
-	Hb R-eqm = 0.000,  weighted Hb epsilon = 0.000,
-	Hb type = 0,  bond index = 4
-
-Parameters for the atom type "FE" were read in from "AD4_water_forcefield.dat" as follows:
-
-	R-eqm = 1.30 Angstrom,  weighted epsilon = 0.002,
-	At.frag.vol. = 1.840,  At.solv.par. = -0.001,
-	Hb R-eqm = 0.000,  weighted Hb epsilon = 0.000,
-	Hb type = 0,  bond index = 4
-
-Parameters for the atom type "Zn" were read in from "AD4_water_forcefield.dat" as follows:
-
-	R-eqm = 1.48 Angstrom,  weighted epsilon = 0.086,
-	At.frag.vol. = 1.700,  At.solv.par. = -0.001,
-	Hb R-eqm = 0.000,  weighted Hb epsilon = 0.000,
-	Hb type = 0,  bond index = 4
-
-Parameters for the atom type "ZN" were read in from "AD4_water_forcefield.dat" as follows:
-
-	R-eqm = 1.48 Angstrom,  weighted epsilon = 0.086,
-	At.frag.vol. = 1.700,  At.solv.par. = -0.001,
-	Hb R-eqm = 0.000,  weighted Hb epsilon = 0.000,
-	Hb type = 0,  bond index = 4
-
-Parameters for the atom type "Br" were read in from "AD4_water_forcefield.dat" as follows:
-
-	R-eqm = 4.33 Angstrom,  weighted epsilon = 0.061,
-	At.frag.vol. = 42.566,  At.solv.par. = -0.001,
-	Hb R-eqm = 0.000,  weighted Hb epsilon = 0.000,
-	Hb type = 0,  bond index = 4
-
-Parameters for the atom type "BR" were read in from "AD4_water_forcefield.dat" as follows:
-
-	R-eqm = 4.33 Angstrom,  weighted epsilon = 0.061,
-	At.frag.vol. = 42.566,  At.solv.par. = -0.001,
-	Hb R-eqm = 0.000,  weighted Hb epsilon = 0.000,
-	Hb type = 0,  bond index = 4
-
-Parameters for the atom type "I" were read in from "AD4_water_forcefield.dat" as follows:
-
-	R-eqm = 4.72 Angstrom,  weighted epsilon = 0.086,
-	At.frag.vol. = 55.059,  At.solv.par. = -0.001,
-	Hb R-eqm = 0.000,  weighted Hb epsilon = 0.000,
-	Hb type = 0,  bond index = 4
-
-Parameters for the atom type "Z" were read in from "AD4_water_forcefield.dat" as follows:
-
-	R-eqm = 4.00 Angstrom,  weighted epsilon = 0.023,
-	At.frag.vol. = 33.510,  At.solv.par. = -0.001,
-	Hb R-eqm = 0.000,  weighted Hb epsilon = 0.000,
-	Hb type = 0,  bond index = 0
-
-Parameters for the atom type "G" were read in from "AD4_water_forcefield.dat" as follows:
-
-	R-eqm = 4.00 Angstrom,  weighted epsilon = 0.023,
-	At.frag.vol. = 33.510,  At.solv.par. = -0.001,
-	Hb R-eqm = 0.000,  weighted Hb epsilon = 0.000,
-	Hb type = 0,  bond index = 0
-
-Parameters for the atom type "GA" were read in from "AD4_water_forcefield.dat" as follows:
-
-	R-eqm = 4.00 Angstrom,  weighted epsilon = 0.023,
-	At.frag.vol. = 33.510,  At.solv.par. = -0.001,
-	Hb R-eqm = 0.000,  weighted Hb epsilon = 0.000,
-	Hb type = 0,  bond index = 0
-
-Parameters for the atom type "J" were read in from "AD4_water_forcefield.dat" as follows:
-
-	R-eqm = 4.00 Angstrom,  weighted epsilon = 0.023,
-	At.frag.vol. = 33.510,  At.solv.par. = -0.001,
-	Hb R-eqm = 0.000,  weighted Hb epsilon = 0.000,
-	Hb type = 0,  bond index = 0
-
-Parameters for the atom type "Q" were read in from "AD4_water_forcefield.dat" as follows:
-
-	R-eqm = 4.00 Angstrom,  weighted epsilon = 0.023,
-	At.frag.vol. = 33.510,  At.solv.par. = -0.001,
-	Hb R-eqm = 0.000,  weighted Hb epsilon = 0.000,
-	Hb type = 0,  bond index = 0
-
-Parameters for the atom type "W" were read in from "AD4_water_forcefield.dat" as follows:
-
-	R-eqm = 0.00 Angstrom,  weighted epsilon = 0.031,
-	At.frag.vol. = 17.157,  At.solv.par. = -0.003,
-	Hb R-eqm = 1.900,  weighted Hb epsilon = 0.487,
-	Hb type = 5,  bond index = 2
-
-
-
-DPF> outlev 1                             # diagnostic output level
-
-Output Level = 1.  MINIMUM OUTPUT DURING DOCKING.
-
-	Output population statistics every 100 generations.
-
-	Never output evaluation-count-based population statistics.
-
-
-DPF> intelec                              # calculate internal electrostatics
-
-Electrostatic energies will be calculated for all non-bonds between moving atoms.
-
-
-
-DPF> seed pid time                        # seeds for random generator
-
-Random number generator was seeded with the process ID, value   = 21609
-Random number generator was seeded with the current time, value = 1327624539
-
-Portable random number generator was seeded with the user-specified values  21609, 1327624539
-
-
-DPF> ligand_types A C HD N NA W           # atoms types in ligand
-
-Parameters found for ligand type "A" (grid map index = 0, weighted well depth, epsilon = 0.0234) in parameter library "AD4_water_forcefield.dat".
-Parameters found for ligand type "C" (grid map index = 1, weighted well depth, epsilon = 0.0234) in parameter library "AD4_water_forcefield.dat".
-Parameters found for ligand type "HD" (grid map index = 2, weighted well depth, epsilon = 0.0031) in parameter library "AD4_water_forcefield.dat".
-Parameters found for ligand type "N" (grid map index = 3, weighted well depth, epsilon = 0.0250) in parameter library "AD4_water_forcefield.dat".
-Parameters found for ligand type "NA" (grid map index = 4, weighted well depth, epsilon = 0.0250) in parameter library "AD4_water_forcefield.dat".
-Parameters found for ligand type "W" (grid map index = 5, weighted well depth, epsilon = 0.0312) in parameter library "AD4_water_forcefield.dat".
-
-
-
-Calculating internal non-bonded interaction energies for docking calculation;
- smoothing range is 0.5000
-
-Non-bonded parameters for A-A interactions, used in internal energy calculations:
-
-                392586.8           191.7 
-    E      =  -----------  -  -----------
-      A,A          12               6
-                  r               r 
-
-Calculating A-A interaction energy versus atomic separation (2048 data points).
-Time taken: Real= 0.00,  CPU= 0.00,  System= 0.00
-
-Calculating internal non-bonded interaction energies for unbound conformation calculation;
-
-Non-bonded parameters for A-A interactions, used in unbound energy calculations:
-
-                392586.8
-    E      =  -----------  -  r
-      A,A          12
-                  r
-
-Calculating A-A interaction energy versus atomic separation (2048 data points).
-Time taken: Real= 0.00,  CPU= 0.00,  System= 0.00
-
-Calculating internal non-bonded interaction energies for docking calculation;
- smoothing range is 0.5000
-
-Non-bonded parameters for A-C and C-A interactions, used in internal energy calculations:
-
-                392586.8           191.7 
-    E      =  -----------  -  -----------
-      A,C          12               6
-                  r               r 
-
-Calculating A-C interaction energy versus atomic separation (2048 data points).
-Time taken: Real= 0.01,  CPU= 0.00,  System= 0.00
-
-Calculating internal non-bonded interaction energies for unbound conformation calculation;
-
-Non-bonded parameters for A-C and C-A interactions, used in unbound energy calculations:
-
-                392586.8
-    E      =  -----------  -  r
-      A,C          12
-                  r
-
-Calculating A-C interaction energy versus atomic separation (2048 data points).
-Time taken: Real= 0.00,  CPU= 0.00,  System= 0.00
-
-Calculating internal non-bonded interaction energies for docking calculation;
- smoothing range is 0.5000
-
-Non-bonded parameters for A-HD and HD-A interactions, used in internal energy calculations:
-
-                  4540.9            12.5 
-    E      =  -----------  -  -----------
-      A,HD         12               6
-                  r               r 
-
-Calculating A-HD interaction energy versus atomic separation (2048 data points).
-Time taken: Real= 0.00,  CPU= 0.01,  System= 0.00
-
-Calculating internal non-bonded interaction energies for unbound conformation calculation;
-
-Non-bonded parameters for A-HD and HD-A interactions, used in unbound energy calculations:
-
-                392586.8
-    E      =  -----------  -  r
-      A,HD         12
-                  r
-
-Calculating A-HD interaction energy versus atomic separation (2048 data points).
-Time taken: Real= 0.00,  CPU= 0.00,  System= 0.00
-
-Calculating internal non-bonded interaction energies for docking calculation;
- smoothing range is 0.5000
-
-Non-bonded parameters for A-N and N-A interactions, used in internal energy calculations:
-
-                186898.3           134.4 
-    E      =  -----------  -  -----------
-      A,N          12               6
-                  r               r 
-
-Calculating A-N interaction energy versus atomic separation (2048 data points).
-Time taken: Real= 0.00,  CPU= 0.00,  System= 0.00
-
-Calculating internal non-bonded interaction energies for unbound conformation calculation;
-
-Non-bonded parameters for A-N and N-A interactions, used in unbound energy calculations:
-
-                392586.8
-    E      =  -----------  -  r
-      A,N          12
-                  r
-
-Calculating A-N interaction energy versus atomic separation (2048 data points).
-Time taken: Real= 0.00,  CPU= 0.00,  System= 0.00
-
-Calculating internal non-bonded interaction energies for docking calculation;
- smoothing range is 0.5000
-
-Non-bonded parameters for A-NA and NA-A interactions, used in internal energy calculations:
-
-                186898.3           134.4 
-    E      =  -----------  -  -----------
-      A,NA         12               6
-                  r               r 
-
-Calculating A-NA interaction energy versus atomic separation (2048 data points).
-Time taken: Real= 0.01,  CPU= 0.01,  System= 0.00
-
-Calculating internal non-bonded interaction energies for unbound conformation calculation;
-
-Non-bonded parameters for A-NA and NA-A interactions, used in unbound energy calculations:
-
-                392586.8
-    E      =  -----------  -  r
-      A,NA         12
-                  r
-
-Calculating A-NA interaction energy versus atomic separation (2048 data points).
-Time taken: Real= 0.00,  CPU= 0.00,  System= 0.00
-
-Calculating internal non-bonded interaction energies for docking calculation;
- smoothing range is 0.5000
-
-Non-bonded parameters for A-W and W-A interactions, used in internal energy calculations:
-
-                   110.7             3.5 
-    E      =  -----------  -  -----------
-      A,W          12               6
-                  r               r 
-
-Calculating A-W interaction energy versus atomic separation (2048 data points).
-Time taken: Real= 0.00,  CPU= 0.00,  System= 0.00
-
-Calculating internal non-bonded interaction energies for unbound conformation calculation;
-
-Non-bonded parameters for A-W and W-A interactions, used in unbound energy calculations:
-
-                392586.8
-    E      =  -----------  -  r
-      A,W          12
-                  r
-
-Calculating A-W interaction energy versus atomic separation (2048 data points).
-Time taken: Real= 0.00,  CPU= 0.00,  System= 0.00
-
-Calculating internal non-bonded interaction energies for docking calculation;
- smoothing range is 0.5000
-
-Non-bonded parameters for C-C interactions, used in internal energy calculations:
-
-                392586.8           191.7 
-    E      =  -----------  -  -----------
-      C,C          12               6
-                  r               r 
-
-Calculating C-C interaction energy versus atomic separation (2048 data points).
-Time taken: Real= 0.01,  CPU= 0.00,  System= 0.00
-
-Calculating internal non-bonded interaction energies for unbound conformation calculation;
-
-Non-bonded parameters for C-C interactions, used in unbound energy calculations:
-
-                392586.8
-    E      =  -----------  -  r
-      C,C          12
-                  r
-
-Calculating C-C interaction energy versus atomic separation (2048 data points).
-Time taken: Real= 0.00,  CPU= 0.00,  System= 0.00
-
-Calculating internal non-bonded interaction energies for docking calculation;
- smoothing range is 0.5000
-
-Non-bonded parameters for C-HD and HD-C interactions, used in internal energy calculations:
-
-                  4540.9            12.5 
-    E      =  -----------  -  -----------
-      C,HD         12               6
-                  r               r 
-
-Calculating C-HD interaction energy versus atomic separation (2048 data points).
-Time taken: Real= 0.00,  CPU= 0.01,  System= 0.00
-
-Calculating internal non-bonded interaction energies for unbound conformation calculation;
-
-Non-bonded parameters for C-HD and HD-C interactions, used in unbound energy calculations:
-
-                392586.8
-    E      =  -----------  -  r
-      C,HD         12
-                  r
-
-Calculating C-HD interaction energy versus atomic separation (2048 data points).
-Time taken: Real= 0.00,  CPU= 0.00,  System= 0.00
-
-Calculating internal non-bonded interaction energies for docking calculation;
- smoothing range is 0.5000
-
-Non-bonded parameters for C-N and N-C interactions, used in internal energy calculations:
-
-                186898.3           134.4 
-    E      =  -----------  -  -----------
-      C,N          12               6
-                  r               r 
-
-Calculating C-N interaction energy versus atomic separation (2048 data points).
-Time taken: Real= 0.00,  CPU= 0.00,  System= 0.00
-
-Calculating internal non-bonded interaction energies for unbound conformation calculation;
-
-Non-bonded parameters for C-N and N-C interactions, used in unbound energy calculations:
-
-                392586.8
-    E      =  -----------  -  r
-      C,N          12
-                  r
-
-Calculating C-N interaction energy versus atomic separation (2048 data points).
-Time taken: Real= 0.00,  CPU= 0.00,  System= 0.00
-
-Calculating internal non-bonded interaction energies for docking calculation;
- smoothing range is 0.5000
-
-Non-bonded parameters for C-NA and NA-C interactions, used in internal energy calculations:
-
-                186898.3           134.4 
-    E      =  -----------  -  -----------
-      C,NA         12               6
-                  r               r 
-
-Calculating C-NA interaction energy versus atomic separation (2048 data points).
-Time taken: Real= 0.01,  CPU= 0.01,  System= 0.00
-
-Calculating internal non-bonded interaction energies for unbound conformation calculation;
-
-Non-bonded parameters for C-NA and NA-C interactions, used in unbound energy calculations:
-
-                392586.8
-    E      =  -----------  -  r
-      C,NA         12
-                  r
-
-Calculating C-NA interaction energy versus atomic separation (2048 data points).
-Time taken: Real= 0.00,  CPU= 0.00,  System= 0.00
-
-Calculating internal non-bonded interaction energies for docking calculation;
- smoothing range is 0.5000
-
-Non-bonded parameters for C-W and W-C interactions, used in internal energy calculations:
-
-                   110.7             3.5 
-    E      =  -----------  -  -----------
-      C,W          12               6
-                  r               r 
-
-Calculating C-W interaction energy versus atomic separation (2048 data points).
-Time taken: Real= 0.00,  CPU= 0.00,  System= 0.00
-
-Calculating internal non-bonded interaction energies for unbound conformation calculation;
-
-Non-bonded parameters for C-W and W-C interactions, used in unbound energy calculations:
-
-                392586.8
-    E      =  -----------  -  r
-      C,W          12
-                  r
-
-Calculating C-W interaction energy versus atomic separation (2048 data points).
-Time taken: Real= 0.00,  CPU= 0.00,  System= 0.00
-
-Calculating internal non-bonded interaction energies for docking calculation;
- smoothing range is 0.5000
-
-Non-bonded parameters for HD-HD interactions, used in internal energy calculations:
-
-                    12.8             0.4 
-    E      =  -----------  -  -----------
-     HD,HD         12               6
-                  r               r 
-
-Calculating HD-HD interaction energy versus atomic separation (2048 data points).
-Time taken: Real= 0.01,  CPU= 0.00,  System= 0.00
-
-Calculating internal non-bonded interaction energies for unbound conformation calculation;
-
-Non-bonded parameters for HD-HD interactions, used in unbound energy calculations:
-
-                392586.8
-    E      =  -----------  -  r
-     HD,HD         12
-                  r
-
-Calculating HD-HD interaction energy versus atomic separation (2048 data points).
-Time taken: Real= 0.00,  CPU= 0.00,  System= 0.00
-
-Calculating internal non-bonded interaction energies for docking calculation;
- smoothing range is 0.5000
-
-Non-bonded parameters for HD-N and N-HD interactions, used in internal energy calculations:
-
-                  1650.8             7.6 
-    E      =  -----------  -  -----------
-     HD,N          12               6
-                  r               r 
-
-Calculating HD-N interaction energy versus atomic separation (2048 data points).
-Time taken: Real= 0.00,  CPU= 0.01,  System= 0.00
-
-Calculating internal non-bonded interaction energies for unbound conformation calculation;
-
-Non-bonded parameters for HD-N and N-HD interactions, used in unbound energy calculations:
-
-                392586.8
-    E      =  -----------  -  r
-     HD,N          12
-                  r
-
-Calculating HD-N interaction energy versus atomic separation (2048 data points).
-Time taken: Real= 0.00,  CPU= 0.00,  System= 0.00
-
-Calculating internal non-bonded interaction energies for docking calculation;
- smoothing range is 0.5000
-
-Non-bonded parameters for HD-NA and NA-HD interactions, used in internal energy calculations:
-
-                  5389.4          1791.5 
-    E      =  -----------  -  -----------
-     HD,NA         12              10
-                  r               r 
-
-Calculating HD-NA interaction energy versus atomic separation (2048 data points).
-Time taken: Real= 0.00,  CPU= 0.00,  System= 0.00
-
-Calculating internal non-bonded interaction energies for unbound conformation calculation;
-
-Non-bonded parameters for HD-NA and NA-HD interactions, used in unbound energy calculations:
-
-                392586.8
-    E      =  -----------  -  r
-     HD,NA         12
-                  r
-
-Calculating HD-NA interaction energy versus atomic separation (2048 data points).
-Time taken: Real= 0.00,  CPU= 0.00,  System= 0.00
-
-Calculating internal non-bonded interaction energies for docking calculation;
- smoothing range is 0.5000
-
-Non-bonded parameters for HD-W and W-HD interactions, used in internal energy calculations:
-
-                  5389.4          1791.5 
-    E      =  -----------  -  -----------
-     HD,W          12              10
-                  r               r 
-
-Calculating HD-W interaction energy versus atomic separation (2048 data points).
-Time taken: Real= 0.01,  CPU= 0.01,  System= 0.00
-
-Calculating internal non-bonded interaction energies for unbound conformation calculation;
-
-Non-bonded parameters for HD-W and W-HD interactions, used in unbound energy calculations:
-
-                392586.8
-    E      =  -----------  -  r
-     HD,W          12
-                  r
-
-Calculating HD-W interaction energy versus atomic separation (2048 data points).
-Time taken: Real= 0.00,  CPU= 0.00,  System= 0.00
-
-Calculating internal non-bonded interaction energies for docking calculation;
- smoothing range is 0.5000
-
-Non-bonded parameters for N-N interactions, used in internal energy calculations:
-
-                 84345.3            91.8 
-    E      =  -----------  -  -----------
-      N,N          12               6
-                  r               r 
-
-Calculating N-N interaction energy versus atomic separation (2048 data points).
-Time taken: Real= 0.00,  CPU= 0.00,  System= 0.00
-
-Calculating internal non-bonded interaction energies for unbound conformation calculation;
-
-Non-bonded parameters for N-N interactions, used in unbound energy calculations:
-
-                392586.8
-    E      =  -----------  -  r
-      N,N          12
-                  r
-
-Calculating N-N interaction energy versus atomic separation (2048 data points).
-Time taken: Real= 0.00,  CPU= 0.00,  System= 0.00
-
-Calculating internal non-bonded interaction energies for docking calculation;
- smoothing range is 0.5000
-
-Non-bonded parameters for N-NA and NA-N interactions, used in internal energy calculations:
-
-                 84345.3            91.8 
-    E      =  -----------  -  -----------
-      N,NA         12               6
-                  r               r 
-
-Calculating N-NA interaction energy versus atomic separation (2048 data points).
-Time taken: Real= 0.01,  CPU= 0.00,  System= 0.00
-
-Calculating internal non-bonded interaction energies for unbound conformation calculation;
-
-Non-bonded parameters for N-NA and NA-N interactions, used in unbound energy calculations:
-
-                392586.8
-    E      =  -----------  -  r
-      N,NA         12
-                  r
-
-Calculating N-NA interaction energy versus atomic separation (2048 data points).
-Time taken: Real= 0.00,  CPU= 0.00,  System= 0.00
-
-Calculating internal non-bonded interaction energies for docking calculation;
- smoothing range is 0.5000
-
-Non-bonded parameters for N-W and W-N interactions, used in internal energy calculations:
-
-                    23.0             1.6 
-    E      =  -----------  -  -----------
-      N,W          12               6
-                  r               r 
-
-Calculating N-W interaction energy versus atomic separation (2048 data points).
-Time taken: Real= 0.00,  CPU= 0.01,  System= 0.00
-
-Calculating internal non-bonded interaction energies for unbound conformation calculation;
-
-Non-bonded parameters for N-W and W-N interactions, used in unbound energy calculations:
-
-                392586.8
-    E      =  -----------  -  r
-      N,W          12
-                  r
-
-Calculating N-W interaction energy versus atomic separation (2048 data points).
-Time taken: Real= 0.00,  CPU= 0.00,  System= 0.00
-
-Calculating internal non-bonded interaction energies for docking calculation;
- smoothing range is 0.5000
-
-Non-bonded parameters for NA-NA interactions, used in internal energy calculations:
-
-                 84345.3            91.8 
-    E      =  -----------  -  -----------
-     NA,NA         12               6
-                  r               r 
-
-Calculating NA-NA interaction energy versus atomic separation (2048 data points).
-Time taken: Real= 0.00,  CPU= 0.00,  System= 0.00
-
-Calculating internal non-bonded interaction energies for unbound conformation calculation;
-
-Non-bonded parameters for NA-NA interactions, used in unbound energy calculations:
-
-                392586.8
-    E      =  -----------  -  r
-     NA,NA         12
-                  r
-
-Calculating NA-NA interaction energy versus atomic separation (2048 data points).
-Time taken: Real= 0.00,  CPU= 0.00,  System= 0.00
-
-Calculating internal non-bonded interaction energies for docking calculation;
- smoothing range is 0.5000
-
-Non-bonded parameters for NA-W and W-NA interactions, used in internal energy calculations:
-
-                    23.0             1.6 
-    E      =  -----------  -  -----------
-     NA,W          12               6
-                  r               r 
-
-Calculating NA-W interaction energy versus atomic separation (2048 data points).
-Time taken: Real= 0.01,  CPU= 0.01,  System= 0.00
-
-Calculating internal non-bonded interaction energies for unbound conformation calculation;
-
-Non-bonded parameters for NA-W and W-NA interactions, used in unbound energy calculations:
-
-                392586.8
-    E      =  -----------  -  r
-     NA,W          12
-                  r
-
-Calculating NA-W interaction energy versus atomic separation (2048 data points).
-Time taken: Real= 0.00,  CPU= 0.00,  System= 0.00
-WARNING: pairwise distance, Rij, 0.00, is not a very reasonable value for the equilibrium separation of two atoms! (0.90 Angstroms <= Rij <= 6.00 Angstroms)
-
-Perhaps you meant to use "intnbp_coeffs" instead of "intnbp_r_eps"?
-
-
-Calculating internal non-bonded interaction energies for docking calculation;
- smoothing range is 0.5000
-
-Non-bonded parameters for W-W interactions, used in internal energy calculations:
-
-                     0.0             0.0 
-    E      =  -----------  -  -----------
-      W,W          12               6
-                  r               r 
-
-Calculating W-W interaction energy versus atomic separation (2048 data points).
-Time taken: Real= 0.00,  CPU= 0.00,  System= 0.00
-
-Calculating internal non-bonded interaction energies for unbound conformation calculation;
-
-Non-bonded parameters for W-W interactions, used in unbound energy calculations:
-
-                392586.8
-    E      =  -----------  -  r
-      W,W          12
-                  r
-
-Calculating W-W interaction energy versus atomic separation (2048 data points).
-Time taken: Real= 0.00,  CPU= 0.00,  System= 0.00
-
-
-DPF> fld protein.maps.fld                 # grid_data_file
-
-Opening Grid Map Dimensions file:		protein.maps.fld
-
-Grid Point Spacing =				0.375 Angstroms
-
-Even Number of User-specified Grid Points =	50 x-points
-						50 y-points
-						50 z-points
-
-Adding the Central Grid Point makes:		51 x-points
-						51 y-points
-						51 z-points
-
-Coordinates of Central Grid Point of Maps =	(83.461, 98.522, -16.407)
-
-Macromolecule file used to create Grid Maps =	protein.pdbqt
-
-Grid Parameter file used to create Grid Maps =	protein.gpf
-
-Minimum coordinates in grid = (74.086, 89.147, -25.782)
-Maximum coordinates in grid = (92.836, 107.897, -7.032)
-
-Allocating 51 x 51 x 51 (x,y,z) grid of 8 maps, 4244832 bytes
-
-
-DPF> map protein.A.map                    # atom-specific affinity map
-
-Opened Grid Map 1 (A):				protein.A.map
-Checking header information.
-Number of grid points expected in  x-dimension:  51
-Number of grid points expected in  y-dimension:  51
-Number of grid points expected in  z-dimension:  51
-Looking for 132651 energies from Grid Map 1... 
-Closing file.
-132651 energies found for map 1
-Minimum energy = -0.85,  maximum energy = 202421.81
-
-Time taken (s): Real= 0.05,  CPU= 0.05,  System= 0.00
-
-Min= -0.851 Mean= 19357.314 Max= 202421.812
-
-
-
-DPF> map protein.C.map                    # atom-specific affinity map
-
-Opened Grid Map 2 (C):				protein.C.map
-Checking header information.
-Number of grid points expected in  x-dimension:  51
-Number of grid points expected in  y-dimension:  51
-Number of grid points expected in  z-dimension:  51
-Looking for 132651 energies from Grid Map 2... 
-Closing file.
-132651 energies found for map 2
-Minimum energy = -0.96,  maximum energy = 202421.72
-
-Time taken (s): Real= 0.05,  CPU= 0.05,  System= 0.00
-
-Min= -0.958 Mean= 19357.225 Max= 202421.719
-
-
-
-DPF> map protein.HD.map                   # atom-specific affinity map
-
-Opened Grid Map 3 (HD):				protein.HD.map
-Checking header information.
-Number of grid points expected in  x-dimension:  51
-Number of grid points expected in  y-dimension:  51
-Number of grid points expected in  z-dimension:  51
-Looking for 132651 energies from Grid Map 3... 
-Closing file.
-132651 energies found for map 3
-Minimum energy = -0.72,  maximum energy = 108935.30
-
-Time taken (s): Real= 0.04,  CPU= 0.04,  System= 0.00
-
-Min= -0.721 Mean= 4677.115 Max= 108935.297
-
-
-
-DPF> map protein.N.map                    # atom-specific affinity map
-
-Opened Grid Map 4 (N):				protein.N.map
-Checking header information.
-Number of grid points expected in  x-dimension:  51
-Number of grid points expected in  y-dimension:  51
-Number of grid points expected in  z-dimension:  51
-Looking for 132651 energies from Grid Map 4... 
-Closing file.
-132651 energies found for map 4
-Minimum energy = -0.97,  maximum energy = 200521.59
-
-Time taken (s): Real= 0.05,  CPU= 0.04,  System= 0.01
-
-Min= -0.974 Mean= 15196.666 Max= 200521.594
-
-
-
-DPF> map protein.NA.map                   # atom-specific affinity map
-
-Opened Grid Map 5 (NA):				protein.NA.map
-Checking header information.
-Number of grid points expected in  x-dimension:  51
-Number of grid points expected in  y-dimension:  51
-Number of grid points expected in  z-dimension:  51
-Looking for 132651 energies from Grid Map 5... 
-Closing file.
-132651 energies found for map 5
-Minimum energy = -1.48,  maximum energy = 200520.88
-
-Time taken (s): Real= 0.04,  CPU= 0.05,  System= 0.00
-
-Min= -1.479 Mean= 15511.332 Max= 200520.875
-
-
-
-DPF> map protein.W.map                    # atom-specific affinity map
-
-Opened Grid Map 6 (W):				protein.W.map
-Checking header information.
-Number of grid points expected in  x-dimension:  51
-Number of grid points expected in  y-dimension:  51
-Number of grid points expected in  z-dimension:  51
-Looking for 132651 energies from Grid Map 6... 
-Closing file.
-132651 energies found for map 6
-Minimum energy = -0.99,  maximum energy = -0.00
-
-Time taken (s): Real= 0.04,  CPU= 0.03,  System= 0.00
-
-Min= -0.986 Mean= -0.218 Max= -0.004
-
-
-
-DPF> elecmap protein.e.map                # electrostatics map
-
-Opened Grid Map 7 (e):				protein.e.map
-Checking header information.
-Number of grid points expected in  x-dimension:  51
-Number of grid points expected in  y-dimension:  51
-Number of grid points expected in  z-dimension:  51
-Looking for 132651 energies from Grid Map 7... 
-Closing file.
-132651 energies found for map 7
-Minimum electrostatic potential = -35.07,  maximum electrostatic potential = 29.39
-
-Time taken (s): Real= 0.04,  CPU= 0.05,  System= 0.00
-
-Min= -35.074 Mean= -0.888 Max= 29.393
-
-
-
-DPF> desolvmap protein.d.map              # desolvation map
-
-Opened Grid Map 8 (d):				protein.d.map
-Checking header information.
-Number of grid points expected in  x-dimension:  51
-Number of grid points expected in  y-dimension:  51
-Number of grid points expected in  z-dimension:  51
-Looking for 132651 energies from Grid Map 8... 
-Closing file.
-132651 energies found for map 8
-Minimum energy = 0.08,  maximum energy = 1.55
-
-Time taken (s): Real= 0.04,  CPU= 0.04,  System= 0.00
-
-Min= 0.082 Mean= 1.095 Max= 1.555
-
-
-
-DPF> move ligand_HYDRO.pdbqt              # small molecule
-
-1,4-interactions will be _ignored_ in the non-bonded internal energy calculation.
-
-Ligand PDBQT file = "ligand_HYDRO.pdbqt"
-
-INPUT LIGAND PDBQT FILE:
-________________________
-
-INPUT-LIGAND-PDBQT: REMARK  1 active torsions:
-INPUT-LIGAND-PDBQT: REMARK  status: ('A' for Active; 'I' for Inactive)
-INPUT-LIGAND-PDBQT: REMARK    1  A    between atoms: C2_3  and  C6_8 
-INPUT-LIGAND-PDBQT: ROOT
-INPUT-LIGAND-PDBQT: HETATM    1  N2  NCT E1206      66.636  41.442  -2.464  1.00 22.84    -0.067 N 
-INPUT-LIGAND-PDBQT: HETATM    2  C6  NCT E1206      65.758  40.826  -1.419  1.00 23.21     0.222 C 
-INPUT-LIGAND-PDBQT: HETATM    3  C7  NCT E1206      64.500  41.663  -1.384  1.00 24.64     0.040 C 
-INPUT-LIGAND-PDBQT: HETATM    4  C8  NCT E1206      64.782  42.934  -2.162  1.00 22.89     0.030 C 
-INPUT-LIGAND-PDBQT: HETATM    5  C9  NCT E1206      66.061  42.699  -2.934  1.00 23.46     0.235 C 
-INPUT-LIGAND-PDBQT: HETATM    6  C10 NCT E1206      67.953  41.785  -1.898  1.00 20.24     0.270 C 
-INPUT-LIGAND-PDBQT: HETATM    7  H01 NCT E1206      66.721  40.770  -3.213  1.00 22.84     0.280 HD
-INPUT-LIGAND-PDBQT: HETATM    8  W   WAT X  99      66.889  39.439  -4.696  1.00 10.00     0.000 W
-INPUT-LIGAND-PDBQT: ENDROOT
-INPUT-LIGAND-PDBQT: BRANCH 2 9
-INPUT-LIGAND-PDBQT: HETATM    9  C2  NCT E1206      65.465  39.398  -1.758  1.00 22.63    -0.010 A 
-INPUT-LIGAND-PDBQT: HETATM   10  C1  NCT E1206      65.410  38.944  -3.087  1.00 24.23     0.125 A 
-INPUT-LIGAND-PDBQT: HETATM   11  N1  NCT E1206      65.181  37.651  -3.405  1.00 23.15    -0.273 NA
-INPUT-LIGAND-PDBQT: HETATM   12  W   WAT X  99      65.092  36.798  -6.280  1.00 10.00     0.000 W
-INPUT-LIGAND-PDBQT: HETATM   13  C5  NCT E1206      64.991  36.740  -2.434  1.00 23.65     0.116 A 
-INPUT-LIGAND-PDBQT: HETATM   14  C4  NCT E1206      65.028  37.131  -1.090  1.00 23.20     0.020 A 
-INPUT-LIGAND-PDBQT: HETATM   15  C3  NCT E1206      65.278  38.464  -0.753  1.00 22.92     0.012 A 
-INPUT-LIGAND-PDBQT: ENDBRANCH 2 9
-INPUT-LIGAND-PDBQT: TORSDOF 1
-________________________________________________________________________________
-
-
-Determining Atom Types and Parameters for the Moving Atoms
-__________________________________________________________
-
-Found parameters for atom 1, atom type "N", grid map index = 3
-Found parameters for atom 2, atom type "C", grid map index = 1
-Found parameters for atom 3, atom type "C", grid map index = 1
-Found parameters for atom 4, atom type "C", grid map index = 1
-Found parameters for atom 5, atom type "C", grid map index = 1
-Found parameters for atom 6, atom type "C", grid map index = 1
-Found parameters for atom 7, atom type "HD", grid map index = 2
-Found parameters for atom 8, atom type "W", grid map index = 5
-Found parameters for atom 9, atom type "A", grid map index = 0
-Found parameters for atom 10, atom type "A", grid map index = 0
-Found parameters for atom 11, atom type "NA", grid map index = 4
-Found parameters for atom 12, atom type "W", grid map index = 5
-Found parameters for atom 13, atom type "A", grid map index = 0
-Found parameters for atom 14, atom type "A", grid map index = 0
-Found parameters for atom 15, atom type "A", grid map index = 0
-
-Number of atoms in movable ligand = 15
-
-Number of non-hydrogen atoms in movable ligand = 14
-
-
-Number of atoms found in flexible receptor sidechains ("residues") =	0 atoms
-
-Total number of atoms found =	15 atoms
-
-Number of flexible residues found in the receptor =	0 residues
-
-
-Summary of number of atoms of a given atom type:
-------------------------------------------------
-
-Number of atoms with atom type 1 =  5
-Number of atoms with atom type 2 =  5
-Number of atoms with atom type 3 =  1
-Number of atoms with atom type 4 =  1
-Number of atoms with atom type 5 =  1
-Number of atoms with atom type 6 =  2
-
-
-Summary of total charge on ligand, residues and overall:
--------------------------------------------------------
-
-Total charge on ligand                               =	+1.000 e
-REMARK  1 active torsions:
-REMARK  status: ('A' for Active; 'I' for Inactive)
-REMARK    1  A    between atoms: C2_3  and  C6_8 
-
-TORSDOF record detected: number of torsional degress of freedom has been set to 1.
-
-
-Number of Rotatable Bonds in Small Molecule =	1 torsions
-
-
-TORSION TREE
-____________
-
-Sorted in order of increasing number of atoms moved:
-
-Torsion                    #
- #  Atom1--Atom2 Moved List of Atoms Moved
-___ ____________ _____ ________________________________________________________
- 1    C6 -- C2      6   C1 , N1 , W  , C5 , C4 , C3 .
-
-
-
-Matrix of Non-Bonded Interactions:
-__________________________________
-
-Key:
-X = non-bonded interaction
-_ = 1,2 or 1,3 interaction
-
-
-Atom: ID:  1 2 3 4 5 6 7 8 9101112131415
-_____ ___ ______________________________
- N2    1  |_|_|_|_|_|_|_|_|_|_|X|X|X|X|_
- C6    2  |_|_|_|_|_|_|_|_|_|_|_|_|_|_|_
- C7    3  |_|_|_|_|_|_|_|_|_|_|X|X|X|X|_
- C8    4  |_|_|_|_|_|_|_|_|_|X|X|X|X|X|X
- C9    5  |_|_|_|_|_|_|_|_|_|X|X|X|X|X|X
- C10   6  |_|_|_|_|_|_|_|_|_|X|X|X|X|X|X
- H01   7  |_|_|_|_|_|_|_|_|_|X|X|X|X|X|X
- W     8  |_|_|_|_|_|_|_|_|_|X|X|X|X|X|X
- C2    9  |_|_|_|_|_|_|_|_|_|_|_|_|_|_|_
- C1   10  |_|_|_|X|X|X|X|X|_|_|_|_|_|_|_
- N1   11  |X|_|X|X|X|X|X|X|_|_|_|_|_|_|_
- W    12  |X|_|X|X|X|X|X|X|_|_|_|_|_|_|_
- C5   13  |X|_|X|X|X|X|X|X|_|_|_|_|_|_|_
- C4   14  |X|_|X|X|X|X|X|X|_|_|_|_|_|_|_
- C3   15  |_|_|_|X|X|X|X|X|_|_|_|_|_|_|_
-
-
-
-List of Internal Non-Bonded Interactions:
-_________________________________________
-
-First Second Non-Bonded
-Atom  Atom(s)
-_____ ___________________________________________________
- N2 :  N1 ,  W  ,  C5 ,  C4 .
-
- C7 :  N1 ,  W  ,  C5 ,  C4 .
-
- C8 :  C1 ,  N1 ,  W  ,  C5 ,  C4 ,  C3 .
-
- C9 :  C1 ,  N1 ,  W  ,  C5 ,  C4 ,  C3 .
-
- C10:  C1 ,  N1 ,  W  ,  C5 ,  C4 ,  C3 .
-
- H01:  C1 ,  N1 ,  W  ,  C5 ,  C4 ,  C3 .
-
- W  :  C1 ,  N1 ,  W  ,  C5 ,  C4 ,  C3 .
-
-
-Internal Non-bonded Interactions before,	120
-                       and after weeding =	38
-
-
-Calculating normalized torsion vectors.
-
-Number of atoms in ligand:  15
-
-Number of non-hydrogen atoms in ligand:  14
-
-Number of vibrational degrees of freedom of ligand:  39
-
-
-Number of torsional degrees of freedom = 1
-Estimated loss of torsional free energy upon binding = +0.2744 kcal/mol
-
-
-Calculating the product of the partial atomic charges, q1*q2, for all 38 non-bonded pairs...
-
- -- Scaled q1*q2 means multiplied by both  332.1 (for conversion later on to kcal/mol)
-    and by the AD4 FF electrostatics coefficient, 0.1465
-
-Non-bonded                           Scaled
-   Pair     Atom1-Atom2    q1*q2      q1*q2
-__________  ___________  _________  _________
-      1         1-11        0.02       0.89
-
-      2         1-12       -0.00      -0.00
-
-      3         1-13       -0.01      -0.38
-
-      4         1-14       -0.00      -0.07
-
-      5         3-11       -0.01      -0.53
-
-      6         3-12        0.00       0.00
-
-      7         3-13        0.00       0.23
-
-      8         3-14        0.00       0.04
-
-      9         4-10        0.00       0.18
-
-     10         4-11       -0.01      -0.40
-
-     11         4-12        0.00       0.00
-
-     12         4-13        0.00       0.17
-
-     13         4-14        0.00       0.03
-
-     14         4-15        0.00       0.02
-
-     15         5-10        0.03       1.43
-
-     16         5-11       -0.06      -3.12
-
-     17         5-12        0.00       0.00
-
-     18         5-13        0.03       1.33
-
-     19         5-14        0.00       0.23
-
-     20         5-15        0.00       0.14
-
-     21         6-10        0.03       1.64
-
-     22         6-11       -0.07      -3.59
-
-     23         6-12        0.00       0.00
-
-     24         6-13        0.03       1.52
-
-     25         6-14        0.01       0.26
-
-     26         6-15        0.00       0.16
-
-     27         7-10        0.04       1.70
-
-     28         7-11       -0.08      -3.72
-
-     29         7-12        0.00       0.00
-
-     30         7-13        0.03       1.58
-
-     31         7-14        0.01       0.27
-
-     32         7-15        0.00       0.16
-
-     33         8-10        0.00       0.00
-
-     34         8-11       -0.00      -0.00
-
-     35         8-12        0.00       0.00
-
-     36         8-13        0.00       0.00
-
-     37         8-14        0.00       0.00
-
-     38         8-15        0.00       0.00
-
-
-
-DPF> about 65.7163 39.7789 -2.5985        # small molecule center
-
-Small molecule center of rotation =	(+65.716, +39.779, -2.599)
-
-Translating small molecule by:	(-65.716, -39.779, +2.599)
-
-Furthest ligand atom from "about" center is 4.778 Angstroms (maxrad).
-
-
-
-DPF> tran0 random                         # initial coordinates/A or random
-
-Initial translation =			(86.369, 104.930, -25.425) Angstroms
-
-
-DPF> axisangle0 random                    # initial orientation
-
-Each run will begin with a new, random initial orientation.
-Initial quaternion,  (x,y,z,w) =	( 0.499, 0.822, 0.177, -0.207 ),
-
-
-DPF> dihe0 random                         # initial dihedrals (relative) or random
-
-	Initial torsion  1 =   68.65 deg
-
-
-DPF> tstep 2.0                            # translation step/A
-
-Initial cycle, maximum translation step = +/- 2.0 Angstroms
-
-
-DPF> qstep 50.0                           # quaternion step/deg
-
-Initial cycle, maximum quaternion angle step = +/- 50.0 deg
-
-
-DPF> dstep 50.0                           # torsion step/deg
-
-Initial cycle, maximum torsion angle step = +/- 50.0 deg
-
-
-DPF> torsdof 1                            # torsional degrees of freedom
-
-Number of torsional degrees of freedom = 1
-Free energy coefficient for torsional degrees of freedom = 0.2744 as specified in parameter library "AD4_water_forcefield.dat".
-
-Estimated loss of torsional free energy upon binding = +0.2744 kcal/mol
-
-
-
-DPF> rmstol 2.0                           # cluster_tolerance/A
-
-Maximum RMS tolerance for conformational cluster analysis = 2.00 Angstroms
-
-
-DPF> rmsref ligand_xray_HYDRO.pdbqt                  # reference ligand conformation
-
-RMS reference coordinates will taken from "ligand_xray_HYDRO.pdbqt"
-
-
-DPF> extnrg 1000.0                        # external grid energy
-
-External grid energy (beyond grid map walls) = 1000.00
-
-
-
-DPF> e0max 0.0 10000                      # max initial energy; max number of retries
-
-Using user-specified maximum number of retries for initialization, 10000 retries.
-
-
-If the initial energy is greater than e0max, 0.000,
-then a new, random initial state will be created.
-
-
-
-DPF> ga_pop_size 150                      # number of individuals in population
-
-A population of 150 individuals will be used
-
-
-DPF> ga_num_evals 2500000                 # maximum number of energy evaluations
-
-There will be at most 2500000 function evaluations used.
-
-
-DPF> ga_num_generations 27000             # maximum number of generations
-
-The GA will run for at most 27000 generations.
-
-
-DPF> ga_elitism 1                         # number of top individuals to survive to next generation
-
-The 1 best will be preserved each generation.
-
-
-DPF> ga_mutation_rate 0.02                # rate of gene mutation
-
-The mutation rate is 0.020000.
-
-
-DPF> ga_crossover_rate 0.8                # rate of crossover
-
-The crossover rate is 0.800000.
-
-
-DPF> ga_window_size 10                    # 
-
-The GA's selection window is 10 generations.
-
-
-DPF> ga_cauchy_alpha 0.0                  # Alpha parameter of Cauchy distribution
-
-The alpha parameter (for the Cauchy distribution) is being set to 0.000000.
-
-
-DPF> ga_cauchy_beta 1.0                   # Beta parameter Cauchy distribution
-
-The beta parameter (for the Cauchy distribution) is being set to 1.000000.
-
-
-DPF> set_ga                               # set the above parameters for GA or LGA
-
-
-
-DPF> sw_max_its 300                       # iterations of Solis & Wets local search
-
-Solis & Wets algorithms will perform at most 300 iterations.
-
-
-DPF> sw_max_succ 4                        # consecutive successes before changing rho
-
-Solis & Wets algorithms expand rho every 4 in a row successes.
-
-
-DPF> sw_max_fail 4                        # consecutive failures before changing rho
-
-Solis & Wets algorithms contract rho every 4 in a row failures.
-
-
-DPF> sw_rho 1.0                           # size of local search space to sample
-
-rho is set to 1.000000.
-
-
-DPF> sw_lb_rho 0.01                       # lower bound on rho
-
-rho will never get smaller than 0.010000.
-
-
-DPF> ls_search_freq 0.06                  # probability of performing local search on individual
-
-Local search will be performed with frequency 0.060000.
-
-
-DPF> set_psw1                             # set the above pseudo-Solis & Wets parameters
-
-Creating a new Local Search object using the pseudo-Solis-Wets algorithm (pSW1) with the current settings.
-
-
-
-DPF> unbound_model bound                  # state of unbound ligand
-
-Setting up parameter library with AutoDock Unbound_Same_As_Bound values.
-
-
-Free energy coefficient for the van der Waals term = 	0.1662
-
-Free energy coefficient for the H-bonding term     = 	0.1209
-
-Free energy coefficient for the electrostatic term = 	0.1406
-
-Free energy coefficient for the desolvation term   = 	0.1322
-
-Free energy coefficient for the torsional term     = 	0.2983
-
-autodock4: WARNING: atom type H not found in the xs_vdw_lookup table.
-
-Parameters for the atom type "H" were initialised with the following default values:
-
-	R-eqm = 2.00 Angstrom,  weighted epsilon = 0.003,
-	At.frag.vol. = 0.000,  At.solv.par. = 0.001,
-	Hb R-eqm = 0.000,  weighted Hb epsilon = 0.000,
-	Hb type = 0,  bond index = 3
-
-autodock4: WARNING: atom type HD not found in the xs_vdw_lookup table.
-
-Parameters for the atom type "HD" were initialised with the following default values:
-
-	R-eqm = 2.00 Angstrom,  weighted epsilon = 0.003,
-	At.frag.vol. = 0.000,  At.solv.par. = 0.001,
-	Hb R-eqm = 0.000,  weighted Hb epsilon = 0.000,
-	Hb type = 2,  bond index = 3
-
-autodock4: WARNING: atom type HS not found in the xs_vdw_lookup table.
-
-Parameters for the atom type "HS" were initialised with the following default values:
-
-	R-eqm = 2.00 Angstrom,  weighted epsilon = 0.003,
-	At.frag.vol. = 0.000,  At.solv.par. = 0.001,
-	Hb R-eqm = 0.000,  weighted Hb epsilon = 0.000,
-	Hb type = 1,  bond index = 3
-
-Parameters for the atom type "C" were initialised with the following default values:
-
-	R-eqm = 4.00 Angstrom,  weighted epsilon = 0.025,
-	At.frag.vol. = 33.510,  At.solv.par. = -0.001,
-	Hb R-eqm = 0.000,  weighted Hb epsilon = 0.000,
-	Hb type = 0,  bond index = 0
-
-Parameters for the atom type "A" were initialised with the following default values:
-
-	R-eqm = 4.00 Angstrom,  weighted epsilon = 0.025,
-	At.frag.vol. = 33.510,  At.solv.par. = -0.001,
-	Hb R-eqm = 0.000,  weighted Hb epsilon = 0.000,
-	Hb type = 0,  bond index = 0
-
-Parameters for the atom type "N" were initialised with the following default values:
-
-	R-eqm = 3.50 Angstrom,  weighted epsilon = 0.027,
-	At.frag.vol. = 22.449,  At.solv.par. = -0.002,
-	Hb R-eqm = 0.000,  weighted Hb epsilon = 0.000,
-	Hb type = 0,  bond index = 1
-
-Parameters for the atom type "NA" were initialised with the following default values:
-
-	R-eqm = 3.50 Angstrom,  weighted epsilon = 0.027,
-	At.frag.vol. = 22.449,  At.solv.par. = -0.002,
-	Hb R-eqm = 1.900,  weighted Hb epsilon = 0.604,
-	Hb type = 4,  bond index = 1
-
-Parameters for the atom type "NS" were initialised with the following default values:
-
-	R-eqm = 3.50 Angstrom,  weighted epsilon = 0.027,
-	At.frag.vol. = 22.449,  At.solv.par. = -0.002,
-	Hb R-eqm = 1.900,  weighted Hb epsilon = 0.604,
-	Hb type = 3,  bond index = 1
-
-Parameters for the atom type "OA" were initialised with the following default values:
-
-	R-eqm = 3.20 Angstrom,  weighted epsilon = 0.033,
-	At.frag.vol. = 17.157,  At.solv.par. = -0.003,
-	Hb R-eqm = 1.900,  weighted Hb epsilon = 0.604,
-	Hb type = 5,  bond index = 2
-
-Parameters for the atom type "OS" were initialised with the following default values:
-
-	R-eqm = 3.20 Angstrom,  weighted epsilon = 0.033,
-	At.frag.vol. = 17.157,  At.solv.par. = -0.003,
-	Hb R-eqm = 1.900,  weighted Hb epsilon = 0.604,
-	Hb type = 3,  bond index = 2
-
-Parameters for the atom type "F" were initialised with the following default values:
-
-	R-eqm = 3.09 Angstrom,  weighted epsilon = 0.013,
-	At.frag.vol. = 15.448,  At.solv.par. = -0.001,
-	Hb R-eqm = 0.000,  weighted Hb epsilon = 0.000,
-	Hb type = 0,  bond index = 4
-
-Parameters for the atom type "Mg" were initialised with the following default values:
-
-	R-eqm = 1.30 Angstrom,  weighted epsilon = 0.145,
-	At.frag.vol. = 1.560,  At.solv.par. = -0.001,
-	Hb R-eqm = 0.000,  weighted Hb epsilon = 0.000,
-	Hb type = 0,  bond index = 4
-
-Parameters for the atom type "MG" were initialised with the following default values:
-
-	R-eqm = 1.30 Angstrom,  weighted epsilon = 0.145,
-	At.frag.vol. = 1.560,  At.solv.par. = -0.001,
-	Hb R-eqm = 0.000,  weighted Hb epsilon = 0.000,
-	Hb type = 0,  bond index = 4
-
-Parameters for the atom type "P" were initialised with the following default values:
-
-	R-eqm = 4.20 Angstrom,  weighted epsilon = 0.033,
-	At.frag.vol. = 38.792,  At.solv.par. = -0.001,
-	Hb R-eqm = 0.000,  weighted Hb epsilon = 0.000,
-	Hb type = 0,  bond index = 5
-
-Parameters for the atom type "SA" were initialised with the following default values:
-
-	R-eqm = 4.00 Angstrom,  weighted epsilon = 0.033,
-	At.frag.vol. = 33.510,  At.solv.par. = -0.002,
-	Hb R-eqm = 2.500,  weighted Hb epsilon = 0.121,
-	Hb type = 5,  bond index = 6
-
-Parameters for the atom type "S" were initialised with the following default values:
-
-	R-eqm = 4.00 Angstrom,  weighted epsilon = 0.033,
-	At.frag.vol. = 33.510,  At.solv.par. = -0.002,
-	Hb R-eqm = 0.000,  weighted Hb epsilon = 0.000,
-	Hb type = 0,  bond index = 6
-
-autodock4: WARNING: atom type Cl not found in the xs_vdw_lookup table.
-
-Parameters for the atom type "Cl" were initialised with the following default values:
-
-	R-eqm = 4.09 Angstrom,  weighted epsilon = 0.046,
-	At.frag.vol. = 35.824,  At.solv.par. = -0.001,
-	Hb R-eqm = 0.000,  weighted Hb epsilon = 0.000,
-	Hb type = 0,  bond index = 4
-
-autodock4: WARNING: atom type CL not found in the xs_vdw_lookup table.
-
-Parameters for the atom type "CL" were initialised with the following default values:
-
-	R-eqm = 4.09 Angstrom,  weighted epsilon = 0.046,
-	At.frag.vol. = 35.824,  At.solv.par. = -0.001,
-	Hb R-eqm = 0.000,  weighted Hb epsilon = 0.000,
-	Hb type = 0,  bond index = 4
-
-autodock4: WARNING: atom type Ca not found in the xs_vdw_lookup table.
-
-Parameters for the atom type "Ca" were initialised with the following default values:
-
-	R-eqm = 1.98 Angstrom,  weighted epsilon = 0.091,
-	At.frag.vol. = 2.770,  At.solv.par. = -0.001,
-	Hb R-eqm = 0.000,  weighted Hb epsilon = 0.000,
-	Hb type = 0,  bond index = 4
-
-autodock4: WARNING: atom type CA not found in the xs_vdw_lookup table.
-
-Parameters for the atom type "CA" were initialised with the following default values:
-
-	R-eqm = 1.98 Angstrom,  weighted epsilon = 0.091,
-	At.frag.vol. = 2.770,  At.solv.par. = -0.001,
-	Hb R-eqm = 0.000,  weighted Hb epsilon = 0.000,
-	Hb type = 0,  bond index = 4
-
-autodock4: WARNING: atom type Mn not found in the xs_vdw_lookup table.
-
-Parameters for the atom type "Mn" were initialised with the following default values:
-
-	R-eqm = 1.30 Angstrom,  weighted epsilon = 0.145,
-	At.frag.vol. = 2.140,  At.solv.par. = -0.001,
-	Hb R-eqm = 0.000,  weighted Hb epsilon = 0.000,
-	Hb type = 0,  bond index = 4
-
-autodock4: WARNING: atom type MN not found in the xs_vdw_lookup table.
-
-Parameters for the atom type "MN" were initialised with the following default values:
-
-	R-eqm = 1.30 Angstrom,  weighted epsilon = 0.145,
-	At.frag.vol. = 2.140,  At.solv.par. = -0.001,
-	Hb R-eqm = 0.000,  weighted Hb epsilon = 0.000,
-	Hb type = 0,  bond index = 4
-
-autodock4: WARNING: atom type Fe not found in the xs_vdw_lookup table.
-
-Parameters for the atom type "Fe" were initialised with the following default values:
-
-	R-eqm = 1.30 Angstrom,  weighted epsilon = 0.002,
-	At.frag.vol. = 1.840,  At.solv.par. = -0.001,
-	Hb R-eqm = 0.000,  weighted Hb epsilon = 0.000,
-	Hb type = 0,  bond index = 4
-
-autodock4: WARNING: atom type FE not found in the xs_vdw_lookup table.
-
-Parameters for the atom type "FE" were initialised with the following default values:
-
-	R-eqm = 1.30 Angstrom,  weighted epsilon = 0.002,
-	At.frag.vol. = 1.840,  At.solv.par. = -0.001,
-	Hb R-eqm = 0.000,  weighted Hb epsilon = 0.000,
-	Hb type = 0,  bond index = 4
-
-autodock4: WARNING: atom type Zn not found in the xs_vdw_lookup table.
-
-Parameters for the atom type "Zn" were initialised with the following default values:
-
-	R-eqm = 1.48 Angstrom,  weighted epsilon = 0.091,
-	At.frag.vol. = 1.700,  At.solv.par. = -0.001,
-	Hb R-eqm = 0.000,  weighted Hb epsilon = 0.000,
-	Hb type = 0,  bond index = 4
-
-autodock4: WARNING: atom type ZN not found in the xs_vdw_lookup table.
-
-Parameters for the atom type "ZN" were initialised with the following default values:
-
-	R-eqm = 1.48 Angstrom,  weighted epsilon = 0.091,
-	At.frag.vol. = 1.700,  At.solv.par. = -0.001,
-	Hb R-eqm = 0.000,  weighted Hb epsilon = 0.000,
-	Hb type = 0,  bond index = 4
-
-autodock4: WARNING: atom type Br not found in the xs_vdw_lookup table.
-
-Parameters for the atom type "Br" were initialised with the following default values:
-
-	R-eqm = 4.33 Angstrom,  weighted epsilon = 0.065,
-	At.frag.vol. = 42.566,  At.solv.par. = -0.001,
-	Hb R-eqm = 0.000,  weighted Hb epsilon = 0.000,
-	Hb type = 0,  bond index = 4
-
-autodock4: WARNING: atom type BR not found in the xs_vdw_lookup table.
-
-Parameters for the atom type "BR" were initialised with the following default values:
-
-	R-eqm = 4.33 Angstrom,  weighted epsilon = 0.065,
-	At.frag.vol. = 42.566,  At.solv.par. = -0.001,
-	Hb R-eqm = 0.000,  weighted Hb epsilon = 0.000,
-	Hb type = 0,  bond index = 4
-
-autodock4: WARNING: atom type I not found in the xs_vdw_lookup table.
-
-Parameters for the atom type "I" were initialised with the following default values:
-
-	R-eqm = 4.72 Angstrom,  weighted epsilon = 0.091,
-	At.frag.vol. = 55.059,  At.solv.par. = -0.001,
-	Hb R-eqm = 0.000,  weighted Hb epsilon = 0.000,
-	Hb type = 0,  bond index = 4
-
-autodock4: WARNING: atom type Z not found in the xs_vdw_lookup table.
-
-Parameters for the atom type "Z" were initialised with the following default values:
-
-	R-eqm = 4.00 Angstrom,  weighted epsilon = 0.025,
-	At.frag.vol. = 33.510,  At.solv.par. = -0.001,
-	Hb R-eqm = 0.000,  weighted Hb epsilon = 0.000,
-	Hb type = 0,  bond index = 0
-
-autodock4: WARNING: atom type G not found in the xs_vdw_lookup table.
-
-Parameters for the atom type "G" were initialised with the following default values:
-
-	R-eqm = 4.00 Angstrom,  weighted epsilon = 0.025,
-	At.frag.vol. = 33.510,  At.solv.par. = -0.001,
-	Hb R-eqm = 0.000,  weighted Hb epsilon = 0.000,
-	Hb type = 0,  bond index = 0
-
-autodock4: WARNING: atom type GA not found in the xs_vdw_lookup table.
-
-Parameters for the atom type "GA" were initialised with the following default values:
-
-	R-eqm = 4.00 Angstrom,  weighted epsilon = 0.025,
-	At.frag.vol. = 33.510,  At.solv.par. = -0.001,
-	Hb R-eqm = 0.000,  weighted Hb epsilon = 0.000,
-	Hb type = 0,  bond index = 0
-
-autodock4: WARNING: atom type J not found in the xs_vdw_lookup table.
-
-Parameters for the atom type "J" were initialised with the following default values:
-
-	R-eqm = 4.00 Angstrom,  weighted epsilon = 0.025,
-	At.frag.vol. = 33.510,  At.solv.par. = -0.001,
-	Hb R-eqm = 0.000,  weighted Hb epsilon = 0.000,
-	Hb type = 0,  bond index = 0
-
-autodock4: WARNING: atom type Q not found in the xs_vdw_lookup table.
-
-Parameters for the atom type "Q" were initialised with the following default values:
-
-	R-eqm = 4.00 Angstrom,  weighted epsilon = 0.025,
-	At.frag.vol. = 33.510,  At.solv.par. = -0.001,
-	Hb R-eqm = 0.000,  weighted Hb epsilon = 0.000,
-	Hb type = 0,  bond index = 0
-
-
-
-DPF> ga_run 10                            # do this many hybrid GA-LS runs
-
-Number of requested GA dockings = 10 runs
-Unbound model to be used is 'same as bound' [AutoDock 4.2 default].
-
-
-	BEGINNING GENETIC ALGORITHM DOCKING
-
-Run:	1 / 10
-Date:	Thu Jan 26 16:35:39 2012
-Output level is set to 1.
-
-call_glss  global_method GA   local_method Non-NULL
-
-Creating an initial population of 150 individuals.
-
-Assigning a random translation, a random orientation and 1 random torsions to each of the 150 individuals.
-
-Beginning LAMARCKIAN GENETIC ALGORITHM (LGA), with a maximum of 2500000 energy evaluations.
-
-Initial-Value: 187.756
-Generation:   0    Oldest's energy: 897635.016    Lowest energy: 187.756 [62]    Num.evals.: 150   Timing: Real= 0.00s,  CPU= 0.00s,  System= 0.00s
-Generation: 100    Oldest's energy: -9.255    Lowest energy: -9.255 [149]    Num.evals.: 162968   Timing: Real= 0.02s,  CPU= 0.01s,  System= 0.00s
-Generation: 200    Oldest's energy: -9.262    Lowest energy: -9.262 [149]    Num.evals.: 328986   Timing: Real= 0.01s,  CPU= 0.02s,  System= 0.00s
-Generation: 300    Oldest's energy: -9.263    Lowest energy: -9.263 [149]    Num.evals.: 488440   Timing: Real= 0.01s,  CPU= 0.01s,  System= 0.00s
-Generation: 400    Oldest's energy: -9.263    Lowest energy: -9.263 [98]    Num.evals.: 658308   Timing: Real= 0.01s,  CPU= 0.01s,  System= 0.00s
-Generation: 500    Oldest's energy: -9.263    Lowest energy: -9.263 [108]    Num.evals.: 820654   Timing: Real= 0.02s,  CPU= 0.01s,  System= 0.00s
-Generation: 600    Oldest's energy: -9.263    Lowest energy: -9.263 [149]    Num.evals.: 985527   Timing: Real= 0.01s,  CPU= 0.01s,  System= 0.00s
-Generation: 700    Oldest's energy: -9.263    Lowest energy: -9.263 [149]    Num.evals.: 1144849   Timing: Real= 0.01s,  CPU= 0.01s,  System= 0.00s
-Generation: 800    Oldest's energy: -9.263    Lowest energy: -9.263 [126]    Num.evals.: 1304311   Timing: Real= 0.00s,  CPU= 0.01s,  System= 0.00s
-Generation: 900    Oldest's energy: -9.263    Lowest energy: -9.263 [149]    Num.evals.: 1468751   Timing: Real= 0.01s,  CPU= 0.01s,  System= 0.00s
-Generation: 1000    Oldest's energy: -9.263    Lowest energy: -9.263 [56]    Num.evals.: 1627942   Timing: Real= 0.01s,  CPU= 0.01s,  System= 0.00s
-Generation: 1100    Oldest's energy: -9.263    Lowest energy: -9.263 [122]    Num.evals.: 1786159   Timing: Real= 0.01s,  CPU= 0.01s,  System= 0.00s
-Generation: 1200    Oldest's energy: -9.263    Lowest energy: -9.263 [115]    Num.evals.: 1935608   Timing: Real= 0.02s,  CPU= 0.01s,  System= 0.00s
-Generation: 1300    Oldest's energy: -9.263    Lowest energy: -9.263 [149]    Num.evals.: 2099154   Timing: Real= 0.00s,  CPU= 0.01s,  System= 0.00s
-Generation: 1400    Oldest's energy: -9.263    Lowest energy: -9.263 [149]    Num.evals.: 2261788   Timing: Real= 0.01s,  CPU= 0.01s,  System= 0.00s
-Generation: 1500    Oldest's energy: -9.263    Lowest energy: -9.263 [149]    Num.evals.: 2416779   Timing: Real= 0.02s,  CPU= 0.02s,  System= 0.00s
-Final-Value: -9.263
-after LGA, E from evalpso = -9.263
-
-Run completed;  time taken for this run:
-Real= 16.42s,  CPU= 16.41s,  System= 0.00s
-
-4:35 56" p.m., 01/26/2012
-Total number of Energy Evaluations: 2500517
-Total number of Generations:        1554
-
-
-	FINAL GENETIC ALGORITHM ALGORITHM DOCKED STATE
-	_______________________________________________
-
-
-Detailed state:	 trans 83.210 98.340 -15.758 quatxyzw 0.581930 0.812292 -0.029464 0.025909 center 65.716 39.779 -2.599 ntor 1 -42.7951
-QState:	 83.210  98.340 -15.758  0.58193 0.81229 -0.02946 0.02591    -42.80
-State:	 83.210  98.340 -15.758   0.582  0.813 -0.029 177.031    -42.80
-
-DOCKED: MODEL        1
-DOCKED: USER    Run = 1
-DOCKED: USER    DPF = ligand_HYDRO_protein.dpf
-DOCKED: USER  
-DOCKED: USER    Estimated Free Energy of Binding    =   -8.73 kcal/mol  [=(1)+(2)+(3)-(4)]
-DOCKED: USER    Estimated Inhibition Constant, Ki   =  396.03 nM (nanomolar)  [Temperature = 298.15 K]
-DOCKED: USER    
-DOCKED: USER    (1) Final Intermolecular Energy     =   -9.01 kcal/mol
-DOCKED: USER        vdW + Hbond + desolv Energy     =   -7.89 kcal/mol
-DOCKED: USER        Electrostatic Energy            =   -1.12 kcal/mol
-DOCKED: USER    (2) Final Total Internal Energy     =   -0.25 kcal/mol
-DOCKED: USER    (3) Torsional Free Energy           =   +0.27 kcal/mol
-DOCKED: USER    (4) Unbound System's Energy  [=(2)] =   -0.25 kcal/mol
-DOCKED: USER    
-DOCKED: USER    
-DOCKED: USER    NEWDPF move ligand_HYDRO.pdbqt
-DOCKED: USER    NEWDPF about 65.716301 39.778900 -2.598500
-DOCKED: USER    NEWDPF tran0 83.209732 98.339993 -15.757714
-DOCKED: USER    NEWDPF quaternion0 0.581930 0.812292 -0.029464 0.025909
-DOCKED: USER    NEWDPF axisangle0 0.582126 0.812564 -0.029474 177.030732
-DOCKED: USER    NEWDPF quat0 0.582126 0.812564 -0.029474 177.030732
-DOCKED: USER    NEWDPF dihe0 -42.80 
-DOCKED: USER  keepresnum = 1 
-DOCKED: USER  
-DOCKED: REMARK  1 active torsions:
-DOCKED: REMARK  status: ('A' for Active; 'I' for Inactive)
-DOCKED: REMARK    1  A    between atoms: C2_3  and  C6_8 
-DOCKED: USER                              x       y       z     vdW  Elec       q    Type
-DOCKED: USER                           _______ _______ _______ _____ _____    ______ ____
-DOCKED: ROOT
-DOCKED: ATOM      1  N2  NCT E1206      84.474  99.742 -16.014 -0.56 +0.07    -0.067 N 
-DOCKED: ATOM      2  C6  NCT E1206      84.095  98.695 -17.015 -0.45 -0.22    +0.222 C 
-DOCKED: ATOM      3  C7  NCT E1206      85.286  97.771 -17.125 -0.65 -0.04    +0.040 C 
-DOCKED: ATOM      4  C8  NCT E1206      86.455  98.460 -16.446 -0.76 -0.02    +0.030 C 
-DOCKED: ATOM      5  C9  NCT E1206      85.881  99.610 -15.648 -0.55 -0.22    +0.235 C 
-DOCKED: ATOM      6  C10 NCT E1206      84.331 101.089 -16.595 -0.47 -0.28    +0.270 C 
-DOCKED: ATOM      7  H01 NCT E1206      83.869  99.620 -15.215 -0.33 -0.42    +0.280 HD
-DOCKED: ATOM      8  W   WAT X  99      82.672  99.379 -13.631 -0.20 -0.00    +0.000 W 
-DOCKED: ENDROOT
-DOCKED: BRANCH 2 9
-DOCKED: ATOM      9  C2  NCT E1206      82.867  97.965 -16.568 -0.56 +0.01    -0.010 A 
-DOCKED: ATOM     10  C1  NCT E1206      82.892  97.045 -15.505 -0.53 -0.13    +0.125 A 
-DOCKED: ATOM     11  N1  NCT E1206      81.784  96.406 -15.070 -0.39 +0.25    -0.273 NA
-DOCKED: ATOM     12  W   WAT X  99      81.961  94.467 -12.787 -0.84 -0.00    +0.000 W 
-DOCKED: ATOM     13  C5  NCT E1206      80.597  96.636 -15.658 -0.51 -0.10    +0.116 A 
-DOCKED: ATOM     14  C4  NCT E1206      80.507  97.537 -16.726 -0.55 -0.02    +0.020 A 
-DOCKED: ATOM     15  C3  NCT E1206      81.646  98.212 -17.173 -0.55 -0.01    +0.012 A 
-DOCKED: ENDBRANCH 2 9
-DOCKED: TORSDOF 1
-DOCKED: TER
-DOCKED: ENDMDL
-________________________________________________________________________________
-
-
-
-	BEGINNING GENETIC ALGORITHM DOCKING
-
-Run:	2 / 10
-Date:	Thu Jan 26 16:35:56 2012
-Output level is set to 1.
-
-call_glss  global_method GA   local_method Non-NULL
-
-Creating an initial population of 150 individuals.
-
-Assigning a random translation, a random orientation and 1 random torsions to each of the 150 individuals.
-
-Beginning LAMARCKIAN GENETIC ALGORITHM (LGA), with a maximum of 2500000 energy evaluations.
-
-Initial-Value: 25.928
-Generation:   0    Oldest's energy: 440455.353    Lowest energy: 25.928 [1]    Num.evals.: 150   Timing: Real= 0.00s,  CPU= 0.00s,  System= 0.00s
-Generation: 100    Oldest's energy: -9.193    Lowest energy: -9.193 [149]    Num.evals.: 158096   Timing: Real= 0.01s,  CPU= 0.01s,  System= 0.00s
-Generation: 200    Oldest's energy: -9.260    Lowest energy: -9.260 [149]    Num.evals.: 320014   Timing: Real= 0.00s,  CPU= 0.01s,  System= 0.00s
-Generation: 300    Oldest's energy: -9.260    Lowest energy: -9.260 [149]    Num.evals.: 483592   Timing: Real= 0.01s,  CPU= 0.01s,  System= 0.00s
-Generation: 400    Oldest's energy: -9.261    Lowest energy: -9.261 [149]    Num.evals.: 634144   Timing: Real= 0.01s,  CPU= 0.02s,  System= 0.00s
-Generation: 500    Oldest's energy: -9.262    Lowest energy: -9.262 [126]    Num.evals.: 793033   Timing: Real= 0.00s,  CPU= 0.01s,  System= 0.00s
-Generation: 600    Oldest's energy: -9.264    Lowest energy: -9.264 [149]    Num.evals.: 948857   Timing: Real= 0.01s,  CPU= 0.00s,  System= 0.00s
-Generation: 700    Oldest's energy: -9.264    Lowest energy: -9.264 [149]    Num.evals.: 1100358   Timing: Real= 0.01s,  CPU= 0.01s,  System= 0.00s
-Generation: 800    Oldest's energy: -9.264    Lowest energy: -9.264 [149]    Num.evals.: 1254764   Timing: Real= 0.01s,  CPU= 0.01s,  System= 0.00s
-Generation: 900    Oldest's energy: -9.264    Lowest energy: -9.264 [121]    Num.evals.: 1422431   Timing: Real= 0.00s,  CPU= 0.01s,  System= 0.00s
-Generation: 1000    Oldest's energy: -9.264    Lowest energy: -9.264 [149]    Num.evals.: 1571361   Timing: Real= 0.01s,  CPU= 0.01s,  System= 0.00s
-Generation: 1100    Oldest's energy: -9.264    Lowest energy: -9.264 [149]    Num.evals.: 1732845   Timing: Real= 0.01s,  CPU= 0.02s,  System= 0.00s
-Generation: 1200    Oldest's energy: -9.264    Lowest energy: -9.264 [149]    Num.evals.: 1892569   Timing: Real= 0.01s,  CPU= 0.01s,  System= 0.00s
-Generation: 1300    Oldest's energy: -9.264    Lowest energy: -9.264 [80]    Num.evals.: 2053553   Timing: Real= 0.01s,  CPU= 0.01s,  System= 0.00s
-Generation: 1400    Oldest's energy: -9.264    Lowest energy: -9.264 [125]    Num.evals.: 2216407   Timing: Real= 0.02s,  CPU= 0.01s,  System= 0.00s
-Generation: 1500    Oldest's energy: -9.264    Lowest energy: -9.264 [82]    Num.evals.: 2378139   Timing: Real= 0.02s,  CPU= 0.01s,  System= 0.00s
-Final-Value: -9.265
-after LGA, E from evalpso = -9.265
-
-Run completed;  time taken for this run:
-Real= 16.42s,  CPU= 16.42s,  System= 0.00s
-
-4:36 12" p.m., 01/26/2012
-Total number of Energy Evaluations: 2500274
-Total number of Generations:        1574
-
-
-	FINAL GENETIC ALGORITHM ALGORITHM DOCKED STATE
-	_______________________________________________
-
-
-Detailed state:	 trans 83.195 98.323 -15.756 quatxyzw -0.578829 -0.814614 0.031391 -0.019360 center 65.716 39.779 -2.599 ntor 1 -43.1576
-QState:	 83.195  98.323 -15.756  -0.57883 -0.81461 0.03139 -0.01936    -43.16
-State:	 83.195  98.323 -15.756  -0.579 -0.815  0.031 -177.781    -43.16
-
-DOCKED: MODEL        2
-DOCKED: USER    Run = 2
-DOCKED: USER    DPF = ligand_HYDRO_protein.dpf
-DOCKED: USER  
-DOCKED: USER    Estimated Free Energy of Binding    =   -8.74 kcal/mol  [=(1)+(2)+(3)-(4)]
-DOCKED: USER    Estimated Inhibition Constant, Ki   =  395.20 nM (nanomolar)  [Temperature = 298.15 K]
-DOCKED: USER    
-DOCKED: USER    (1) Final Intermolecular Energy     =   -9.01 kcal/mol
-DOCKED: USER        vdW + Hbond + desolv Energy     =   -7.89 kcal/mol
-DOCKED: USER        Electrostatic Energy            =   -1.12 kcal/mol
-DOCKED: USER    (2) Final Total Internal Energy     =   -0.25 kcal/mol
-DOCKED: USER    (3) Torsional Free Energy           =   +0.27 kcal/mol
-DOCKED: USER    (4) Unbound System's Energy  [=(2)] =   -0.25 kcal/mol
-DOCKED: USER    
-DOCKED: USER    
-DOCKED: USER    NEWDPF move ligand_HYDRO.pdbqt
-DOCKED: USER    NEWDPF about 65.716301 39.778900 -2.598500
-DOCKED: USER    NEWDPF tran0 83.194694 98.323354 -15.755552
-DOCKED: USER    NEWDPF quaternion0 -0.578829 -0.814614 0.031391 -0.019360
-DOCKED: USER    NEWDPF axisangle0 -0.578938 -0.814767 0.031396 -177.781421
-DOCKED: USER    NEWDPF quat0 -0.578938 -0.814767 0.031396 -177.781421
-DOCKED: USER    NEWDPF dihe0 -43.16 
-DOCKED: USER  keepresnum = 1 
-DOCKED: USER  
-DOCKED: REMARK  1 active torsions:
-DOCKED: REMARK  status: ('A' for Active; 'I' for Inactive)
-DOCKED: REMARK    1  A    between atoms: C2_3  and  C6_8 
-DOCKED: USER                              x       y       z     vdW  Elec       q    Type
-DOCKED: USER                           _______ _______ _______ _____ _____    ______ ____
-DOCKED: ROOT
-DOCKED: ATOM      1  N2  NCT E1206      84.449  99.733 -16.016 -0.56 +0.07    -0.067 N 
-DOCKED: ATOM      2  C6  NCT E1206      84.087  98.672 -17.009 -0.45 -0.22    +0.222 C 
-DOCKED: ATOM      3  C7  NCT E1206      85.287  97.758 -17.099 -0.65 -0.04    +0.040 C 
-DOCKED: ATOM      4  C8  NCT E1206      86.444  98.463 -16.418 -0.76 -0.02    +0.030 C 
-DOCKED: ATOM      5  C9  NCT E1206      85.854  99.616 -15.637 -0.54 -0.22    +0.235 C 
-DOCKED: ATOM      6  C10 NCT E1206      84.300 101.073 -16.612 -0.46 -0.28    +0.270 C 
-DOCKED: ATOM      7  H01 NCT E1206      83.839  99.615 -15.220 -0.33 -0.43    +0.280 HD
-DOCKED: ATOM      8  W   WAT X  99      82.631  99.379 -13.644 -0.20 -0.00    +0.000 W 
-DOCKED: ENDROOT
-DOCKED: BRANCH 2 9
-DOCKED: ATOM      9  C2  NCT E1206      82.862  97.937 -16.565 -0.56 +0.01    -0.010 A 
-DOCKED: ATOM     10  C1  NCT E1206      82.887  97.023 -15.497 -0.53 -0.13    +0.125 A 
-DOCKED: ATOM     11  N1  NCT E1206      81.781  96.379 -15.064 -0.39 +0.25    -0.273 NA
-DOCKED: ATOM     12  W   WAT X  99      81.958  94.454 -12.770 -0.84 -0.00    +0.000 W 
-DOCKED: ATOM     13  C5  NCT E1206      80.595  96.598 -15.660 -0.51 -0.10    +0.116 A 
-DOCKED: ATOM     14  C4  NCT E1206      80.506  97.493 -16.733 -0.55 -0.02    +0.020 A 
-DOCKED: ATOM     15  C3  NCT E1206      81.643  98.173 -17.177 -0.55 -0.01    +0.012 A 
-DOCKED: ENDBRANCH 2 9
-DOCKED: TORSDOF 1
-DOCKED: TER
-DOCKED: ENDMDL
-________________________________________________________________________________
-
-
-
-	BEGINNING GENETIC ALGORITHM DOCKING
-
-Run:	3 / 10
-Date:	Thu Jan 26 16:36:12 2012
-Output level is set to 1.
-
-call_glss  global_method GA   local_method Non-NULL
-
-Creating an initial population of 150 individuals.
-
-Assigning a random translation, a random orientation and 1 random torsions to each of the 150 individuals.
-
-Beginning LAMARCKIAN GENETIC ALGORITHM (LGA), with a maximum of 2500000 energy evaluations.
-
-Initial-Value: 11260.364
-Generation:   0    Oldest's energy: 1154942.756    Lowest energy: 11260.364 [102]    Num.evals.: 150   Timing: Real= 0.00s,  CPU= 0.00s,  System= 0.00s
-Generation: 100    Oldest's energy: -9.258    Lowest energy: -9.258 [149]    Num.evals.: 154795   Timing: Real= 0.01s,  CPU= 0.00s,  System= 0.00s
-Generation: 200    Oldest's energy: -9.262    Lowest energy: -9.262 [110]    Num.evals.: 309166   Timing: Real= 0.01s,  CPU= 0.01s,  System= 0.00s
-Generation: 300    Oldest's energy: -9.262    Lowest energy: -9.262 [149]    Num.evals.: 466429   Timing: Real= 0.01s,  CPU= 0.01s,  System= 0.00s
-Generation: 400    Oldest's energy: -9.262    Lowest energy: -9.262 [117]    Num.evals.: 617203   Timing: Real= 0.00s,  CPU= 0.01s,  System= 0.00s
-Generation: 500    Oldest's energy: -9.263    Lowest energy: -9.263 [89]    Num.evals.: 774722   Timing: Real= 0.01s,  CPU= 0.01s,  System= 0.00s
-Generation: 600    Oldest's energy: -9.264    Lowest energy: -9.264 [149]    Num.evals.: 933460   Timing: Real= 0.01s,  CPU= 0.02s,  System= 0.00s
-Generation: 700    Oldest's energy: -9.265    Lowest energy: -9.265 [149]    Num.evals.: 1091934   Timing: Real= 0.01s,  CPU= 0.02s,  System= 0.00s
-Generation: 800    Oldest's energy: -9.266    Lowest energy: -9.266 [114]    Num.evals.: 1251555   Timing: Real= 0.01s,  CPU= 0.02s,  System= 0.00s
-Generation: 900    Oldest's energy: -9.266    Lowest energy: -9.266 [149]    Num.evals.: 1411868   Timing: Real= 0.01s,  CPU= 0.01s,  System= 0.00s
-Generation: 1000    Oldest's energy: -9.266    Lowest energy: -9.266 [149]    Num.evals.: 1572568   Timing: Real= 0.02s,  CPU= 0.01s,  System= 0.00s
-Generation: 1100    Oldest's energy: -9.266    Lowest energy: -9.266 [59]    Num.evals.: 1734395   Timing: Real= 0.01s,  CPU= 0.02s,  System= 0.00s
-Generation: 1200    Oldest's energy: -9.266    Lowest energy: -9.266 [149]    Num.evals.: 1884243   Timing: Real= 0.01s,  CPU= 0.01s,  System= 0.00s
-Generation: 1300    Oldest's energy: -9.266    Lowest energy: -9.266 [149]    Num.evals.: 2045059   Timing: Real= 0.02s,  CPU= 0.01s,  System= 0.00s
-Generation: 1400    Oldest's energy: -9.266    Lowest energy: -9.266 [149]    Num.evals.: 2207225   Timing: Real= 0.01s,  CPU= 0.01s,  System= 0.00s
-Generation: 1500    Oldest's energy: -9.266    Lowest energy: -9.266 [124]    Num.evals.: 2371730   Timing: Real= 0.01s,  CPU= 0.01s,  System= 0.00s
-Final-Value: -9.266
-after LGA, E from evalpso = -9.266
-
-Run completed;  time taken for this run:
-Real= 16.43s,  CPU= 16.42s,  System= 0.00s
-
-4:36 29" p.m., 01/26/2012
-Total number of Energy Evaluations: 2500780
-Total number of Generations:        1578
-
-
-	FINAL GENETIC ALGORITHM ALGORITHM DOCKED STATE
-	_______________________________________________
-
-
-Detailed state:	 trans 83.208 98.356 -15.749 quatxyzw -0.583438 -0.811153 0.037707 -0.014440 center 65.716 39.779 -2.599 ntor 1 -45.7152
-QState:	 83.208  98.356 -15.749  -0.58344 -0.81115 0.03771 -0.01444    -45.72
-State:	 83.208  98.356 -15.749  -0.583 -0.811  0.038 -178.345    -45.72
-
-DOCKED: MODEL        3
-DOCKED: USER    Run = 3
-DOCKED: USER    DPF = ligand_HYDRO_protein.dpf
-DOCKED: USER  
-DOCKED: USER    Estimated Free Energy of Binding    =   -8.74 kcal/mol  [=(1)+(2)+(3)-(4)]
-DOCKED: USER    Estimated Inhibition Constant, Ki   =  393.91 nM (nanomolar)  [Temperature = 298.15 K]
-DOCKED: USER    
-DOCKED: USER    (1) Final Intermolecular Energy     =   -9.01 kcal/mol
-DOCKED: USER        vdW + Hbond + desolv Energy     =   -7.90 kcal/mol
-DOCKED: USER        Electrostatic Energy            =   -1.11 kcal/mol
-DOCKED: USER    (2) Final Total Internal Energy     =   -0.25 kcal/mol
-DOCKED: USER    (3) Torsional Free Energy           =   +0.27 kcal/mol
-DOCKED: USER    (4) Unbound System's Energy  [=(2)] =   -0.25 kcal/mol
-DOCKED: USER    
-DOCKED: USER    
-DOCKED: USER    NEWDPF move ligand_HYDRO.pdbqt
-DOCKED: USER    NEWDPF about 65.716301 39.778900 -2.598500
-DOCKED: USER    NEWDPF tran0 83.207838 98.356069 -15.749166
-DOCKED: USER    NEWDPF quaternion0 -0.583438 -0.811153 0.037707 -0.014440
-DOCKED: USER    NEWDPF axisangle0 -0.583499 -0.811238 0.037711 -178.345265
-DOCKED: USER    NEWDPF quat0 -0.583499 -0.811238 0.037711 -178.345265
-DOCKED: USER    NEWDPF dihe0 -45.72 
-DOCKED: USER  keepresnum = 1 
-DOCKED: USER  
-DOCKED: REMARK  1 active torsions:
-DOCKED: REMARK  status: ('A' for Active; 'I' for Inactive)
-DOCKED: REMARK    1  A    between atoms: C2_3  and  C6_8 
-DOCKED: USER                              x       y       z     vdW  Elec       q    Type
-DOCKED: USER                           _______ _______ _______ _____ _____    ______ ____
-DOCKED: ROOT
-DOCKED: ATOM      1  N2  NCT E1206      84.478  99.748 -16.032 -0.57 +0.07    -0.067 N 
-DOCKED: ATOM      2  C6  NCT E1206      84.105  98.675 -17.007 -0.45 -0.22    +0.222 C 
-DOCKED: ATOM      3  C7  NCT E1206      85.295  97.746 -17.082 -0.65 -0.04    +0.040 C 
-DOCKED: ATOM      4  C8  NCT E1206      86.459  98.450 -16.411 -0.76 -0.02    +0.030 C 
-DOCKED: ATOM      5  C9  NCT E1206      85.881  99.621 -15.650 -0.55 -0.22    +0.235 C 
-DOCKED: ATOM      6  C10 NCT E1206      84.344 101.079 -16.650 -0.46 -0.28    +0.270 C 
-DOCKED: ATOM      7  H01 NCT E1206      83.866  99.649 -15.235 -0.33 -0.42    +0.280 HD
-DOCKED: ATOM      8  W   WAT X  99      82.654  99.453 -13.656 -0.20 -0.00    +0.000 W 
-DOCKED: ENDROOT
-DOCKED: BRANCH 2 9
-DOCKED: ATOM      9  C2  NCT E1206      82.871  97.960 -16.552 -0.56 +0.01    -0.010 A 
-DOCKED: ATOM     10  C1  NCT E1206      82.896  97.024 -15.504 -0.53 -0.13    +0.125 A 
-DOCKED: ATOM     11  N1  NCT E1206      81.784  96.399 -15.061 -0.39 +0.25    -0.273 NA
-DOCKED: ATOM     12  W   WAT X  99      81.960  94.422 -12.810 -0.84 -0.00    +0.000 W 
-DOCKED: ATOM     13  C5  NCT E1206      80.592  96.658 -15.627 -0.50 -0.10    +0.116 A 
-DOCKED: ATOM     14  C4  NCT E1206      80.502  97.577 -16.680 -0.55 -0.02    +0.020 A 
-DOCKED: ATOM     15  C3  NCT E1206      81.646  98.238 -17.134 -0.55 -0.01    +0.012 A 
-DOCKED: ENDBRANCH 2 9
-DOCKED: TORSDOF 1
-DOCKED: TER
-DOCKED: ENDMDL
-________________________________________________________________________________
-
-
-
-	BEGINNING GENETIC ALGORITHM DOCKING
-
-Run:	4 / 10
-Date:	Thu Jan 26 16:36:29 2012
-Output level is set to 1.
-
-call_glss  global_method GA   local_method Non-NULL
-
-Creating an initial population of 150 individuals.
-
-Assigning a random translation, a random orientation and 1 random torsions to each of the 150 individuals.
-
-Beginning LAMARCKIAN GENETIC ALGORITHM (LGA), with a maximum of 2500000 energy evaluations.
-
-Initial-Value: 2926.557
-Generation:   0    Oldest's energy: 293848.779    Lowest energy: 2926.557 [92]    Num.evals.: 150   Timing: Real= 0.00s,  CPU= 0.00s,  System= 0.00s
-Generation: 100    Oldest's energy: -9.259    Lowest energy: -9.259 [116]    Num.evals.: 154210   Timing: Real= 0.01s,  CPU= 0.01s,  System= 0.00s
-Generation: 200    Oldest's energy: -9.263    Lowest energy: -9.263 [149]    Num.evals.: 308271   Timing: Real= 0.00s,  CPU= 0.01s,  System= 0.00s
-Generation: 300    Oldest's energy: -9.263    Lowest energy: -9.263 [149]    Num.evals.: 469399   Timing: Real= 0.01s,  CPU= 0.01s,  System= 0.00s
-Generation: 400    Oldest's energy: -9.264    Lowest energy: -9.264 [149]    Num.evals.: 624023   Timing: Real= 0.02s,  CPU= 0.01s,  System= 0.00s
-Generation: 500    Oldest's energy: -9.264    Lowest energy: -9.264 [149]    Num.evals.: 780793   Timing: Real= 0.00s,  CPU= 0.01s,  System= 0.00s
-Generation: 600    Oldest's energy: -9.265    Lowest energy: -9.265 [112]    Num.evals.: 943467   Timing: Real= 0.02s,  CPU= 0.01s,  System= 0.00s
-Generation: 700    Oldest's energy: -9.265    Lowest energy: -9.265 [149]    Num.evals.: 1092921   Timing: Real= 0.01s,  CPU= 0.01s,  System= 0.00s
-Generation: 800    Oldest's energy: -9.265    Lowest energy: -9.265 [149]    Num.evals.: 1252926   Timing: Real= 0.01s,  CPU= 0.01s,  System= 0.00s
-Generation: 900    Oldest's energy: -9.265    Lowest energy: -9.265 [149]    Num.evals.: 1414431   Timing: Real= 0.01s,  CPU= 0.01s,  System= 0.00s
-Generation: 1000    Oldest's energy: -9.265    Lowest energy: -9.265 [118]    Num.evals.: 1574626   Timing: Real= 0.02s,  CPU= 0.02s,  System= 0.00s
-Generation: 1100    Oldest's energy: -9.265    Lowest energy: -9.265 [149]    Num.evals.: 1730659   Timing: Real= 0.00s,  CPU= 0.01s,  System= 0.00s
-Generation: 1200    Oldest's energy: -9.266    Lowest energy: -9.266 [120]    Num.evals.: 1886698   Timing: Real= 0.01s,  CPU= 0.01s,  System= 0.00s
-Generation: 1300    Oldest's energy: -9.266    Lowest energy: -9.266 [149]    Num.evals.: 2046673   Timing: Real= 0.01s,  CPU= 0.00s,  System= 0.00s
-Generation: 1400    Oldest's energy: -9.266    Lowest energy: -9.266 [126]    Num.evals.: 2202313   Timing: Real= 0.02s,  CPU= 0.01s,  System= 0.00s
-Generation: 1500    Oldest's energy: -9.266    Lowest energy: -9.266 [149]    Num.evals.: 2360373   Timing: Real= 0.02s,  CPU= 0.02s,  System= 0.00s
-Final-Value: -9.266
-after LGA, E from evalpso = -9.266
-
-Run completed;  time taken for this run:
-Real= 16.41s,  CPU= 16.38s,  System= 0.04s
-
-4:36 45" p.m., 01/26/2012
-Total number of Energy Evaluations: 2501841
-Total number of Generations:        1585
-
-
-	FINAL GENETIC ALGORITHM ALGORITHM DOCKED STATE
-	_______________________________________________
-
-
-Detailed state:	 trans 83.213 98.361 -15.763 quatxyzw -0.582993 -0.811534 0.032880 -0.021237 center 65.716 39.779 -2.599 ntor 1 -43.8265
-QState:	 83.213  98.361 -15.763  -0.58299 -0.81153 0.03288 -0.02124    -43.83
-State:	 83.213  98.361 -15.763  -0.583 -0.812  0.033 -177.566    -43.83
-
-DOCKED: MODEL        4
-DOCKED: USER    Run = 4
-DOCKED: USER    DPF = ligand_HYDRO_protein.dpf
-DOCKED: USER  
-DOCKED: USER    Estimated Free Energy of Binding    =   -8.74 kcal/mol  [=(1)+(2)+(3)-(4)]
-DOCKED: USER    Estimated Inhibition Constant, Ki   =  394.73 nM (nanomolar)  [Temperature = 298.15 K]
-DOCKED: USER    
-DOCKED: USER    (1) Final Intermolecular Energy     =   -9.01 kcal/mol
-DOCKED: USER        vdW + Hbond + desolv Energy     =   -7.90 kcal/mol
-DOCKED: USER        Electrostatic Energy            =   -1.11 kcal/mol
-DOCKED: USER    (2) Final Total Internal Energy     =   -0.25 kcal/mol
-DOCKED: USER    (3) Torsional Free Energy           =   +0.27 kcal/mol
-DOCKED: USER    (4) Unbound System's Energy  [=(2)] =   -0.25 kcal/mol
-DOCKED: USER    
-DOCKED: USER    
-DOCKED: USER    NEWDPF move ligand_HYDRO.pdbqt
-DOCKED: USER    NEWDPF about 65.716301 39.778900 -2.598500
-DOCKED: USER    NEWDPF tran0 83.213445 98.361148 -15.762943
-DOCKED: USER    NEWDPF quaternion0 -0.582993 -0.811534 0.032880 -0.021237
-DOCKED: USER    NEWDPF axisangle0 -0.583124 -0.811717 0.032887 -177.566203
-DOCKED: USER    NEWDPF quat0 -0.583124 -0.811717 0.032887 -177.566203
-DOCKED: USER    NEWDPF dihe0 -43.83 
-DOCKED: USER  keepresnum = 1 
-DOCKED: USER  
-DOCKED: REMARK  1 active torsions:
-DOCKED: REMARK  status: ('A' for Active; 'I' for Inactive)
-DOCKED: REMARK    1  A    between atoms: C2_3  and  C6_8 
-DOCKED: USER                              x       y       z     vdW  Elec       q    Type
-DOCKED: USER                           _______ _______ _______ _____ _____    ______ ____
-DOCKED: ROOT
-DOCKED: ATOM      1  N2  NCT E1206      84.481  99.758 -16.031 -0.57 +0.07    -0.067 N 
-DOCKED: ATOM      2  C6  NCT E1206      84.104  98.700 -17.021 -0.45 -0.22    +0.222 C 
-DOCKED: ATOM      3  C7  NCT E1206      85.294  97.773 -17.116 -0.66 -0.04    +0.040 C 
-DOCKED: ATOM      4  C8  NCT E1206      86.461  98.467 -16.441 -0.76 -0.02    +0.030 C 
-DOCKED: ATOM      5  C9  NCT E1206      85.887  99.626 -15.658 -0.55 -0.22    +0.235 C 
-DOCKED: ATOM      6  C10 NCT E1206      84.344 101.099 -16.627 -0.46 -0.28    +0.270 C 
-DOCKED: ATOM      7  H01 NCT E1206      83.874  99.646 -15.232 -0.33 -0.42    +0.280 HD
-DOCKED: ATOM      8  W   WAT X  99      82.671  99.424 -13.650 -0.20 -0.00    +0.000 W 
-DOCKED: ENDROOT
-DOCKED: BRANCH 2 9
-DOCKED: ATOM      9  C2  NCT E1206      82.873  97.978 -16.570 -0.56 +0.01    -0.010 A 
-DOCKED: ATOM     10  C1  NCT E1206      82.897  97.054 -15.511 -0.53 -0.13    +0.125 A 
-DOCKED: ATOM     11  N1  NCT E1206      81.786  96.422 -15.072 -0.39 +0.25    -0.273 NA
-DOCKED: ATOM     12  W   WAT X  99      81.960  94.473 -12.798 -0.84 -0.00    +0.000 W 
-DOCKED: ATOM     13  C5  NCT E1206      80.597  96.662 -15.654 -0.50 -0.10    +0.116 A 
-DOCKED: ATOM     14  C4  NCT E1206      80.509  97.568 -16.718 -0.55 -0.02    +0.020 A 
-DOCKED: ATOM     15  C3  NCT E1206      81.651  98.236 -17.168 -0.55 -0.01    +0.012 A 
-DOCKED: ENDBRANCH 2 9
-DOCKED: TORSDOF 1
-DOCKED: TER
-DOCKED: ENDMDL
-________________________________________________________________________________
-
-
-
-	BEGINNING GENETIC ALGORITHM DOCKING
-
-Run:	5 / 10
-Date:	Thu Jan 26 16:36:45 2012
-Output level is set to 1.
-
-call_glss  global_method GA   local_method Non-NULL
-
-Creating an initial population of 150 individuals.
-
-Assigning a random translation, a random orientation and 1 random torsions to each of the 150 individuals.
-
-Beginning LAMARCKIAN GENETIC ALGORITHM (LGA), with a maximum of 2500000 energy evaluations.
-
-Initial-Value: 253.969
-Generation:   0    Oldest's energy: 1818612.746    Lowest energy: 253.969 [55]    Num.evals.: 150   Timing: Real= 0.00s,  CPU= 0.00s,  System= 0.00s
-Generation: 100    Oldest's energy: -9.208    Lowest energy: -9.208 [149]    Num.evals.: 170277   Timing: Real= 0.01s,  CPU= 0.01s,  System= 0.00s
-Generation: 200    Oldest's energy: -9.251    Lowest energy: -9.251 [149]    Num.evals.: 323680   Timing: Real= 0.01s,  CPU= 0.01s,  System= 0.00s
-Generation: 300    Oldest's energy: -9.260    Lowest energy: -9.260 [149]    Num.evals.: 488315   Timing: Real= 0.01s,  CPU= 0.01s,  System= 0.00s
-Generation: 400    Oldest's energy: -9.260    Lowest energy: -9.260 [149]    Num.evals.: 650866   Timing: Real= 0.02s,  CPU= 0.02s,  System= 0.00s
-Generation: 500    Oldest's energy: -9.261    Lowest energy: -9.261 [118]    Num.evals.: 809121   Timing: Real= 0.01s,  CPU= 0.00s,  System= 0.00s
-Generation: 600    Oldest's energy: -9.261    Lowest energy: -9.261 [108]    Num.evals.: 958614   Timing: Real= 0.01s,  CPU= 0.01s,  System= 0.00s
-Generation: 700    Oldest's energy: -9.261    Lowest energy: -9.261 [149]    Num.evals.: 1116694   Timing: Real= 0.02s,  CPU= 0.01s,  System= 0.00s
-Generation: 800    Oldest's energy: -9.261    Lowest energy: -9.261 [149]    Num.evals.: 1268958   Timing: Real= 0.02s,  CPU= 0.01s,  System= 0.00s
-Generation: 900    Oldest's energy: -9.261    Lowest energy: -9.261 [126]    Num.evals.: 1425313   Timing: Real= 0.01s,  CPU= 0.01s,  System= 0.00s
-Generation: 1000    Oldest's energy: -9.261    Lowest energy: -9.261 [149]    Num.evals.: 1582609   Timing: Real= 0.01s,  CPU= 0.01s,  System= 0.00s
-Generation: 1100    Oldest's energy: -9.261    Lowest energy: -9.261 [149]    Num.evals.: 1751165   Timing: Real= 0.01s,  CPU= 0.01s,  System= 0.00s
-Generation: 1200    Oldest's energy: -9.261    Lowest energy: -9.261 [149]    Num.evals.: 1904449   Timing: Real= 0.01s,  CPU= 0.02s,  System= 0.00s
-Generation: 1300    Oldest's energy: -9.261    Lowest energy: -9.261 [149]    Num.evals.: 2073306   Timing: Real= 0.01s,  CPU= 0.02s,  System= 0.00s
-Generation: 1400    Oldest's energy: -9.261    Lowest energy: -9.261 [149]    Num.evals.: 2234343   Timing: Real= 0.01s,  CPU= 0.01s,  System= 0.00s
-Generation: 1500    Oldest's energy: -9.261    Lowest energy: -9.261 [149]    Num.evals.: 2398306   Timing: Real= 0.01s,  CPU= 0.01s,  System= 0.00s
-Final-Value: -9.261
-after LGA, E from evalpso = -9.261
-
-Run completed;  time taken for this run:
-Real= 16.38s,  CPU= 16.38s,  System= 0.00s
-
-4:37 02" p.m., 01/26/2012
-Total number of Energy Evaluations: 2500943
-Total number of Generations:        1563
-
-
-	FINAL GENETIC ALGORITHM ALGORITHM DOCKED STATE
-	_______________________________________________
-
-
-Detailed state:	 trans 83.223 98.356 -15.758 quatxyzw 0.586358 0.808948 -0.027928 0.031750 center 65.716 39.779 -2.599 ntor 1 -43.4989
-QState:	 83.223  98.356 -15.758  0.58636 0.80895 -0.02793 0.03175    -43.50
-State:	 83.223  98.356 -15.758   0.587  0.809 -0.028 176.361    -43.50
-
-DOCKED: MODEL        5
-DOCKED: USER    Run = 5
-DOCKED: USER    DPF = ligand_HYDRO_protein.dpf
-DOCKED: USER  
-DOCKED: USER    Estimated Free Energy of Binding    =   -8.73 kcal/mol  [=(1)+(2)+(3)-(4)]
-DOCKED: USER    Estimated Inhibition Constant, Ki   =  397.66 nM (nanomolar)  [Temperature = 298.15 K]
-DOCKED: USER    
-DOCKED: USER    (1) Final Intermolecular Energy     =   -9.01 kcal/mol
-DOCKED: USER        vdW + Hbond + desolv Energy     =   -7.89 kcal/mol
-DOCKED: USER        Electrostatic Energy            =   -1.11 kcal/mol
-DOCKED: USER    (2) Final Total Internal Energy     =   -0.25 kcal/mol
-DOCKED: USER    (3) Torsional Free Energy           =   +0.27 kcal/mol
-DOCKED: USER    (4) Unbound System's Energy  [=(2)] =   -0.25 kcal/mol
-DOCKED: USER    
-DOCKED: USER    
-DOCKED: USER    NEWDPF move ligand_HYDRO.pdbqt
-DOCKED: USER    NEWDPF about 65.716301 39.778900 -2.598500
-DOCKED: USER    NEWDPF tran0 83.223143 98.356233 -15.757656
-DOCKED: USER    NEWDPF quaternion0 0.586358 0.808948 -0.027928 0.031750
-DOCKED: USER    NEWDPF axisangle0 0.586653 0.809356 -0.027942 176.361089
-DOCKED: USER    NEWDPF quat0 0.586653 0.809356 -0.027942 176.361089
-DOCKED: USER    NEWDPF dihe0 -43.50 
-DOCKED: USER  keepresnum = 1 
-DOCKED: USER  
-DOCKED: REMARK  1 active torsions:
-DOCKED: REMARK  status: ('A' for Active; 'I' for Inactive)
-DOCKED: REMARK    1  A    between atoms: C2_3  and  C6_8 
-DOCKED: USER                              x       y       z     vdW  Elec       q    Type
-DOCKED: USER                           _______ _______ _______ _____ _____    ______ ____
-DOCKED: ROOT
-DOCKED: ATOM      1  N2  NCT E1206      84.501  99.746 -16.012 -0.57 +0.07    -0.067 N 
-DOCKED: ATOM      2  C6  NCT E1206      84.102  98.712 -17.018 -0.45 -0.22    +0.222 C 
-DOCKED: ATOM      3  C7  NCT E1206      85.283  97.776 -17.146 -0.65 -0.04    +0.040 C 
-DOCKED: ATOM      4  C8  NCT E1206      86.464  98.445 -16.470 -0.76 -0.02    +0.030 C 
-DOCKED: ATOM      5  C9  NCT E1206      85.909  99.594 -15.658 -0.55 -0.22    +0.235 C 
-DOCKED: ATOM      6  C10 NCT E1206      84.370 101.100 -16.579 -0.47 -0.28    +0.270 C 
-DOCKED: ATOM      7  H01 NCT E1206      83.901  99.624 -15.208 -0.33 -0.42    +0.280 HD
-DOCKED: ATOM      8  W   WAT X  99      82.714  99.382 -13.618 -0.20 -0.00    +0.000 W 
-DOCKED: ENDROOT
-DOCKED: BRANCH 2 9
-DOCKED: ATOM      9  C2  NCT E1206      82.870  97.992 -16.568 -0.56 +0.01    -0.010 A 
-DOCKED: ATOM     10  C1  NCT E1206      82.895  97.052 -15.524 -0.53 -0.13    +0.125 A 
-DOCKED: ATOM     11  N1  NCT E1206      81.784  96.422 -15.085 -0.39 +0.25    -0.273 NA
-DOCKED: ATOM     12  W   WAT X  99      81.961  94.437 -12.842 -0.83 -0.00    +0.000 W 
-DOCKED: ATOM     13  C5  NCT E1206      80.592  96.680 -15.653 -0.50 -0.10    +0.116 A 
-DOCKED: ATOM     14  C4  NCT E1206      80.502  97.603 -16.702 -0.55 -0.02    +0.020 A 
-DOCKED: ATOM     15  C3  NCT E1206      81.645  98.269 -17.152 -0.55 -0.01    +0.012 A 
-DOCKED: ENDBRANCH 2 9
-DOCKED: TORSDOF 1
-DOCKED: TER
-DOCKED: ENDMDL
-________________________________________________________________________________
-
-
-
-	BEGINNING GENETIC ALGORITHM DOCKING
-
-Run:	6 / 10
-Date:	Thu Jan 26 16:37:02 2012
-Output level is set to 1.
-
-call_glss  global_method GA   local_method Non-NULL
-
-Creating an initial population of 150 individuals.
-
-Assigning a random translation, a random orientation and 1 random torsions to each of the 150 individuals.
-
-Beginning LAMARCKIAN GENETIC ALGORITHM (LGA), with a maximum of 2500000 energy evaluations.
-
-Initial-Value: 1087.289
-Generation:   0    Oldest's energy: 370823.506    Lowest energy: 1087.289 [66]    Num.evals.: 150   Timing: Real= 0.00s,  CPU= 0.00s,  System= 0.00s
-Generation: 100    Oldest's energy: -9.257    Lowest energy: -9.257 [149]    Num.evals.: 157015   Timing: Real= 0.00s,  CPU= 0.00s,  System= 0.00s
-Generation: 200    Oldest's energy: -9.265    Lowest energy: -9.265 [114]    Num.evals.: 318518   Timing: Real= 0.01s,  CPU= 0.00s,  System= 0.00s
-Generation: 300    Oldest's energy: -9.265    Lowest energy: -9.265 [149]    Num.evals.: 478806   Timing: Real= 0.01s,  CPU= 0.01s,  System= 0.00s
-Generation: 400    Oldest's energy: -9.265    Lowest energy: -9.265 [149]    Num.evals.: 636233   Timing: Real= 0.02s,  CPU= 0.02s,  System= 0.00s
-Generation: 500    Oldest's energy: -9.265    Lowest energy: -9.265 [149]    Num.evals.: 788870   Timing: Real= 0.01s,  CPU= 0.01s,  System= 0.00s
-Generation: 600    Oldest's energy: -9.265    Lowest energy: -9.265 [149]    Num.evals.: 948876   Timing: Real= 0.01s,  CPU= 0.01s,  System= 0.00s
-Generation: 700    Oldest's energy: -9.265    Lowest energy: -9.265 [149]    Num.evals.: 1102018   Timing: Real= 0.00s,  CPU= 0.00s,  System= 0.00s
-Generation: 800    Oldest's energy: -9.265    Lowest energy: -9.265 [112]    Num.evals.: 1264538   Timing: Real= 0.02s,  CPU= 0.02s,  System= 0.00s
-Generation: 900    Oldest's energy: -9.265    Lowest energy: -9.265 [149]    Num.evals.: 1427479   Timing: Real= 0.01s,  CPU= 0.01s,  System= 0.00s
-Generation: 1000    Oldest's energy: -9.265    Lowest energy: -9.265 [123]    Num.evals.: 1586428   Timing: Real= 0.02s,  CPU= 0.02s,  System= 0.00s
-Generation: 1100    Oldest's energy: -9.266    Lowest energy: -9.266 [149]    Num.evals.: 1739081   Timing: Real= 0.01s,  CPU= 0.01s,  System= 0.00s
-Generation: 1200    Oldest's energy: -9.266    Lowest energy: -9.266 [149]    Num.evals.: 1898709   Timing: Real= 0.01s,  CPU= 0.01s,  System= 0.00s
-Generation: 1300    Oldest's energy: -9.266    Lowest energy: -9.266 [149]    Num.evals.: 2055709   Timing: Real= 0.01s,  CPU= 0.01s,  System= 0.00s
-Generation: 1400    Oldest's energy: -9.266    Lowest energy: -9.266 [149]    Num.evals.: 2214279   Timing: Real= 0.02s,  CPU= 0.02s,  System= 0.00s
-Generation: 1500    Oldest's energy: -9.266    Lowest energy: -9.266 [77]    Num.evals.: 2377022   Timing: Real= 0.01s,  CPU= 0.01s,  System= 0.00s
-Final-Value: -9.266
-after LGA, E from evalpso = -9.266
-
-Run completed;  time taken for this run:
-Real= 16.41s,  CPU= 16.41s,  System= 0.00s
-
-4:37 18" p.m., 01/26/2012
-Total number of Energy Evaluations: 2501430
-Total number of Generations:        1579
-
-
-	FINAL GENETIC ALGORITHM ALGORITHM DOCKED STATE
-	_______________________________________________
-
-
-Detailed state:	 trans 83.192 98.340 -15.754 quatxyzw 0.579508 0.814113 -0.031397 0.020098 center 65.716 39.779 -2.599 ntor 1 -43.7491
-QState:	 83.192  98.340 -15.754  0.57951 0.81411 -0.03140 0.02010    -43.75
-State:	 83.192  98.340 -15.754   0.580  0.814 -0.031 177.697    -43.75
-
-DOCKED: MODEL        6
-DOCKED: USER    Run = 6
-DOCKED: USER    DPF = ligand_HYDRO_protein.dpf
-DOCKED: USER  
-DOCKED: USER    Estimated Free Energy of Binding    =   -8.74 kcal/mol  [=(1)+(2)+(3)-(4)]
-DOCKED: USER    Estimated Inhibition Constant, Ki   =  394.60 nM (nanomolar)  [Temperature = 298.15 K]
-DOCKED: USER    
-DOCKED: USER    (1) Final Intermolecular Energy     =   -9.01 kcal/mol
-DOCKED: USER        vdW + Hbond + desolv Energy     =   -7.89 kcal/mol
-DOCKED: USER        Electrostatic Energy            =   -1.12 kcal/mol
-DOCKED: USER    (2) Final Total Internal Energy     =   -0.25 kcal/mol
-DOCKED: USER    (3) Torsional Free Energy           =   +0.27 kcal/mol
-DOCKED: USER    (4) Unbound System's Energy  [=(2)] =   -0.25 kcal/mol
-DOCKED: USER    
-DOCKED: USER    
-DOCKED: USER    NEWDPF move ligand_HYDRO.pdbqt
-DOCKED: USER    NEWDPF about 65.716301 39.778900 -2.598500
-DOCKED: USER    NEWDPF tran0 83.191577 98.339939 -15.754292
-DOCKED: USER    NEWDPF quaternion0 0.579508 0.814113 -0.031397 0.020098
-DOCKED: USER    NEWDPF axisangle0 0.579625 0.814278 -0.031403 177.696798
-DOCKED: USER    NEWDPF quat0 0.579625 0.814278 -0.031403 177.696798
-DOCKED: USER    NEWDPF dihe0 -43.75 
-DOCKED: USER  keepresnum = 1 
-DOCKED: USER  
-DOCKED: REMARK  1 active torsions:
-DOCKED: REMARK  status: ('A' for Active; 'I' for Inactive)
-DOCKED: REMARK    1  A    between atoms: C2_3  and  C6_8 
-DOCKED: USER                              x       y       z     vdW  Elec       q    Type
-DOCKED: USER                           _______ _______ _______ _____ _____    ______ ____
-DOCKED: ROOT
-DOCKED: ATOM      1  N2  NCT E1206      84.448  99.748 -16.016 -0.56 +0.07    -0.067 N 
-DOCKED: ATOM      2  C6  NCT E1206      84.083  98.688 -17.009 -0.45 -0.22    +0.222 C 
-DOCKED: ATOM      3  C7  NCT E1206      85.281  97.772 -17.101 -0.66 -0.04    +0.040 C 
-DOCKED: ATOM      4  C8  NCT E1206      86.440  98.475 -16.421 -0.76 -0.02    +0.030 C 
-DOCKED: ATOM      5  C9  NCT E1206      85.854  99.628 -15.638 -0.55 -0.22    +0.235 C 
-DOCKED: ATOM      6  C10 NCT E1206      84.301 101.088 -16.610 -0.46 -0.28    +0.270 C 
-DOCKED: ATOM      7  H01 NCT E1206      83.839  99.630 -15.219 -0.33 -0.43    +0.280 HD
-DOCKED: ATOM      8  W   WAT X  99      82.632  99.395 -13.642 -0.20 -0.00    +0.000 W 
-DOCKED: ENDROOT
-DOCKED: BRANCH 2 9
-DOCKED: ATOM      9  C2  NCT E1206      82.857  97.955 -16.563 -0.56 +0.01    -0.010 A 
-DOCKED: ATOM     10  C1  NCT E1206      82.885  97.031 -15.504 -0.53 -0.13    +0.125 A 
-DOCKED: ATOM     11  N1  NCT E1206      81.778  96.389 -15.070 -0.39 +0.25    -0.273 NA
-DOCKED: ATOM     12  W   WAT X  99      81.960  94.441 -12.795 -0.84 -0.00    +0.000 W 
-DOCKED: ATOM     13  C5  NCT E1206      80.590  96.619 -15.656 -0.51 -0.10    +0.116 A 
-DOCKED: ATOM     14  C4  NCT E1206      80.498  97.524 -16.721 -0.55 -0.02    +0.020 A 
-DOCKED: ATOM     15  C3  NCT E1206      81.635  98.202 -17.166 -0.55 -0.01    +0.012 A 
-DOCKED: ENDBRANCH 2 9
-DOCKED: TORSDOF 1
-DOCKED: TER
-DOCKED: ENDMDL
-________________________________________________________________________________
-
-
-
-	BEGINNING GENETIC ALGORITHM DOCKING
-
-Run:	7 / 10
-Date:	Thu Jan 26 16:37:18 2012
-Output level is set to 1.
-
-call_glss  global_method GA   local_method Non-NULL
-
-Creating an initial population of 150 individuals.
-
-Assigning a random translation, a random orientation and 1 random torsions to each of the 150 individuals.
-
-Beginning LAMARCKIAN GENETIC ALGORITHM (LGA), with a maximum of 2500000 energy evaluations.
-
-Initial-Value: 40.339
-Generation:   0    Oldest's energy: 17818.806    Lowest energy: 40.339 [93]    Num.evals.: 150   Timing: Real= 0.00s,  CPU= 0.00s,  System= 0.00s
-Generation: 100    Oldest's energy: -9.239    Lowest energy: -9.255 [118]    Num.evals.: 158970   Timing: Real= 0.00s,  CPU= 0.01s,  System= 0.00s
-Generation: 200    Oldest's energy: -9.258    Lowest energy: -9.258 [149]    Num.evals.: 312482   Timing: Real= 0.01s,  CPU= 0.01s,  System= 0.00s
-Generation: 300    Oldest's energy: -9.259    Lowest energy: -9.259 [115]    Num.evals.: 470262   Timing: Real= 0.01s,  CPU= 0.01s,  System= 0.00s
-Generation: 400    Oldest's energy: -9.259    Lowest energy: -9.259 [59]    Num.evals.: 630251   Timing: Real= 0.01s,  CPU= 0.01s,  System= 0.00s
-Generation: 500    Oldest's energy: -9.259    Lowest energy: -9.259 [149]    Num.evals.: 788031   Timing: Real= 0.01s,  CPU= 0.01s,  System= 0.00s
-Generation: 600    Oldest's energy: -9.259    Lowest energy: -9.259 [149]    Num.evals.: 939603   Timing: Real= 0.01s,  CPU= 0.01s,  System= 0.00s
-Generation: 700    Oldest's energy: -9.260    Lowest energy: -9.260 [149]    Num.evals.: 1092303   Timing: Real= 0.00s,  CPU= 0.00s,  System= 0.00s
-Generation: 800    Oldest's energy: -9.260    Lowest energy: -9.260 [149]    Num.evals.: 1259306   Timing: Real= 0.01s,  CPU= 0.01s,  System= 0.00s
-Generation: 900    Oldest's energy: -9.264    Lowest energy: -9.264 [149]    Num.evals.: 1414081   Timing: Real= 0.01s,  CPU= 0.01s,  System= 0.00s
-Generation: 1000    Oldest's energy: -9.265    Lowest energy: -9.265 [149]    Num.evals.: 1573369   Timing: Real= 0.01s,  CPU= 0.00s,  System= 0.00s
-Generation: 1100    Oldest's energy: -9.265    Lowest energy: -9.265 [149]    Num.evals.: 1736399   Timing: Real= 0.01s,  CPU= 0.02s,  System= 0.00s
-Generation: 1200    Oldest's energy: -9.265    Lowest energy: -9.265 [104]    Num.evals.: 1887786   Timing: Real= 0.01s,  CPU= 0.00s,  System= 0.00s
-Generation: 1300    Oldest's energy: -9.265    Lowest energy: -9.265 [149]    Num.evals.: 2044726   Timing: Real= 0.01s,  CPU= 0.01s,  System= 0.00s
-Generation: 1400    Oldest's energy: -9.265    Lowest energy: -9.265 [119]    Num.evals.: 2204410   Timing: Real= 0.01s,  CPU= 0.01s,  System= 0.00s
-Generation: 1500    Oldest's energy: -9.265    Lowest energy: -9.265 [149]    Num.evals.: 2365336   Timing: Real= 0.01s,  CPU= 0.01s,  System= 0.00s
-Final-Value: -9.266
-after LGA, E from evalpso = -9.266
-
-Run completed;  time taken for this run:
-Real= 16.43s,  CPU= 16.41s,  System= 0.01s
-
-4:37 34" p.m., 01/26/2012
-Total number of Energy Evaluations: 2500436
-Total number of Generations:        1586
-
-
-	FINAL GENETIC ALGORITHM ALGORITHM DOCKED STATE
-	_______________________________________________
-
-
-Detailed state:	 trans 83.204 98.350 -15.743 quatxyzw 0.581454 0.812534 -0.039774 0.010831 center 65.716 39.779 -2.599 ntor 1 -45.2985
-QState:	 83.204  98.350 -15.743  0.58145 0.81253 -0.03977 0.01083    -45.30
-State:	 83.204  98.350 -15.743   0.581  0.813 -0.040 178.759    -45.30
-
-DOCKED: MODEL        7
-DOCKED: USER    Run = 7
-DOCKED: USER    DPF = ligand_HYDRO_protein.dpf
-DOCKED: USER  
-DOCKED: USER    Estimated Free Energy of Binding    =   -8.74 kcal/mol  [=(1)+(2)+(3)-(4)]
-DOCKED: USER    Estimated Inhibition Constant, Ki   =  394.50 nM (nanomolar)  [Temperature = 298.15 K]
-DOCKED: USER    
-DOCKED: USER    (1) Final Intermolecular Energy     =   -9.01 kcal/mol
-DOCKED: USER        vdW + Hbond + desolv Energy     =   -7.89 kcal/mol
-DOCKED: USER        Electrostatic Energy            =   -1.12 kcal/mol
-DOCKED: USER    (2) Final Total Internal Energy     =   -0.25 kcal/mol
-DOCKED: USER    (3) Torsional Free Energy           =   +0.27 kcal/mol
-DOCKED: USER    (4) Unbound System's Energy  [=(2)] =   -0.25 kcal/mol
-DOCKED: USER    
-DOCKED: USER    
-DOCKED: USER    NEWDPF move ligand_HYDRO.pdbqt
-DOCKED: USER    NEWDPF about 65.716301 39.778900 -2.598500
-DOCKED: USER    NEWDPF tran0 83.203992 98.350020 -15.742951
-DOCKED: USER    NEWDPF quaternion0 0.581454 0.812534 -0.039774 0.010831
-DOCKED: USER    NEWDPF axisangle0 0.581488 0.812582 -0.039776 178.758798
-DOCKED: USER    NEWDPF quat0 0.581488 0.812582 -0.039776 178.758798
-DOCKED: USER    NEWDPF dihe0 -45.30 
-DOCKED: USER  keepresnum = 1 
-DOCKED: USER  
-DOCKED: REMARK  1 active torsions:
-DOCKED: REMARK  status: ('A' for Active; 'I' for Inactive)
-DOCKED: REMARK    1  A    between atoms: C2_3  and  C6_8 
-DOCKED: USER                              x       y       z     vdW  Elec       q    Type
-DOCKED: USER                           _______ _______ _______ _____ _____    ______ ____
-DOCKED: ROOT
-DOCKED: ATOM      1  N2  NCT E1206      84.468  99.746 -16.032 -0.56 +0.07    -0.067 N 
-DOCKED: ATOM      2  C6  NCT E1206      84.104  98.664 -17.001 -0.45 -0.22    +0.222 C 
-DOCKED: ATOM      3  C7  NCT E1206      85.299  97.741 -17.064 -0.66 -0.04    +0.040 C 
-DOCKED: ATOM      4  C8  NCT E1206      86.457  98.455 -16.395 -0.76 -0.02    +0.030 C 
-DOCKED: ATOM      5  C9  NCT E1206      85.871  99.630 -15.644 -0.55 -0.22    +0.235 C 
-DOCKED: ATOM      6  C10 NCT E1206      84.329 101.072 -16.660 -0.46 -0.28    +0.270 C 
-DOCKED: ATOM      7  H01 NCT E1206      83.854  99.650 -15.236 -0.33 -0.42    +0.280 HD
-DOCKED: ATOM      8  W   WAT X  99      82.638  99.459 -13.660 -0.20 -0.00    +0.000 W 
-DOCKED: ENDROOT
-DOCKED: BRANCH 2 9
-DOCKED: ATOM      9  C2  NCT E1206      82.872  97.946 -16.544 -0.56 +0.01    -0.010 A 
-DOCKED: ATOM     10  C1  NCT E1206      82.897  97.025 -15.483 -0.53 -0.13    +0.125 A 
-DOCKED: ATOM     11  N1  NCT E1206      81.786  96.397 -15.039 -0.39 +0.25    -0.273 NA
-DOCKED: ATOM     12  W   WAT X  99      81.961  94.452 -12.761 -0.84 -0.00    +0.000 W 
-DOCKED: ATOM     13  C5  NCT E1206      80.596  96.640 -15.617 -0.50 -0.10    +0.116 A 
-DOCKED: ATOM     14  C4  NCT E1206      80.507  97.544 -16.682 -0.55 -0.02    +0.020 A 
-DOCKED: ATOM     15  C3  NCT E1206      81.649  98.208 -17.138 -0.55 -0.01    +0.012 A 
-DOCKED: ENDBRANCH 2 9
-DOCKED: TORSDOF 1
-DOCKED: TER
-DOCKED: ENDMDL
-________________________________________________________________________________
-
-
-
-	BEGINNING GENETIC ALGORITHM DOCKING
-
-Run:	8 / 10
-Date:	Thu Jan 26 16:37:34 2012
-Output level is set to 1.
-
-call_glss  global_method GA   local_method Non-NULL
-
-Creating an initial population of 150 individuals.
-
-Assigning a random translation, a random orientation and 1 random torsions to each of the 150 individuals.
-
-Beginning LAMARCKIAN GENETIC ALGORITHM (LGA), with a maximum of 2500000 energy evaluations.
-
-Initial-Value: 1423.516
-Generation:   0    Oldest's energy: 1061548.869    Lowest energy: 1423.516 [137]    Num.evals.: 150   Timing: Real= 0.00s,  CPU= 0.00s,  System= 0.00s
-Generation: 100    Oldest's energy: -9.211    Lowest energy: -9.211 [122]    Num.evals.: 158884   Timing: Real= 0.01s,  CPU= 0.01s,  System= 0.00s
-Generation: 200    Oldest's energy: -9.251    Lowest energy: -9.251 [149]    Num.evals.: 318690   Timing: Real= 0.01s,  CPU= 0.01s,  System= 0.00s
-Generation: 300    Oldest's energy: -9.259    Lowest energy: -9.259 [149]    Num.evals.: 470643   Timing: Real= 0.02s,  CPU= 0.01s,  System= 0.00s
-Generation: 400    Oldest's energy: -9.259    Lowest energy: -9.259 [149]    Num.evals.: 622387   Timing: Real= 0.01s,  CPU= 0.01s,  System= 0.00s
-Generation: 500    Oldest's energy: -9.259    Lowest energy: -9.259 [149]    Num.evals.: 773527   Timing: Real= 0.01s,  CPU= 0.01s,  System= 0.00s
-Generation: 600    Oldest's energy: -9.259    Lowest energy: -9.259 [149]    Num.evals.: 937169   Timing: Real= 0.01s,  CPU= 0.01s,  System= 0.00s
-Generation: 700    Oldest's energy: -9.260    Lowest energy: -9.260 [149]    Num.evals.: 1088521   Timing: Real= 0.02s,  CPU= 0.02s,  System= 0.00s
-Generation: 800    Oldest's energy: -9.260    Lowest energy: -9.260 [149]    Num.evals.: 1252794   Timing: Real= 0.02s,  CPU= 0.02s,  System= 0.00s
-Generation: 900    Oldest's energy: -9.260    Lowest energy: -9.260 [106]    Num.evals.: 1418835   Timing: Real= 0.01s,  CPU= 0.01s,  System= 0.00s
-Generation: 1000    Oldest's energy: -9.260    Lowest energy: -9.260 [149]    Num.evals.: 1582531   Timing: Real= 0.02s,  CPU= 0.01s,  System= 0.00s
-Generation: 1100    Oldest's energy: -9.260    Lowest energy: -9.260 [149]    Num.evals.: 1747190   Timing: Real= 0.01s,  CPU= 0.01s,  System= 0.00s
-Generation: 1200    Oldest's energy: -9.263    Lowest energy: -9.263 [149]    Num.evals.: 1914295   Timing: Real= 0.01s,  CPU= 0.02s,  System= 0.00s
-Generation: 1300    Oldest's energy: -9.265    Lowest energy: -9.265 [149]    Num.evals.: 2077620   Timing: Real= 0.01s,  CPU= 0.01s,  System= 0.00s
-Generation: 1400    Oldest's energy: -9.266    Lowest energy: -9.266 [84]    Num.evals.: 2227622   Timing: Real= 0.01s,  CPU= 0.01s,  System= 0.00s
-Generation: 1500    Oldest's energy: -9.266    Lowest energy: -9.266 [149]    Num.evals.: 2389044   Timing: Real= 0.01s,  CPU= 0.02s,  System= 0.00s
-Final-Value: -9.266
-after LGA, E from evalpso = -9.266
-
-Run completed;  time taken for this run:
-Real= 16.44s,  CPU= 16.43s,  System= 0.00s
-
-4:37 51" p.m., 01/26/2012
-Total number of Energy Evaluations: 2501669
-Total number of Generations:        1573
-
-
-	FINAL GENETIC ALGORITHM ALGORITHM DOCKED STATE
-	_______________________________________________
-
-
-Detailed state:	 trans 83.204 98.345 -15.747 quatxyzw 0.580640 0.813349 -0.030620 0.019556 center 65.716 39.779 -2.599 ntor 1 -44.1036
-QState:	 83.204  98.345 -15.747  0.58064 0.81335 -0.03062 0.01956    -44.10
-State:	 83.204  98.345 -15.747   0.581  0.814 -0.031 177.759    -44.10
-
-DOCKED: MODEL        8
-DOCKED: USER    Run = 8
-DOCKED: USER    DPF = ligand_HYDRO_protein.dpf
-DOCKED: USER  
-DOCKED: USER    Estimated Free Energy of Binding    =   -8.74 kcal/mol  [=(1)+(2)+(3)-(4)]
-DOCKED: USER    Estimated Inhibition Constant, Ki   =  394.37 nM (nanomolar)  [Temperature = 298.15 K]
-DOCKED: USER    
-DOCKED: USER    (1) Final Intermolecular Energy     =   -9.01 kcal/mol
-DOCKED: USER        vdW + Hbond + desolv Energy     =   -7.89 kcal/mol
-DOCKED: USER        Electrostatic Energy            =   -1.12 kcal/mol
-DOCKED: USER    (2) Final Total Internal Energy     =   -0.25 kcal/mol
-DOCKED: USER    (3) Torsional Free Energy           =   +0.27 kcal/mol
-DOCKED: USER    (4) Unbound System's Energy  [=(2)] =   -0.25 kcal/mol
-DOCKED: USER    
-DOCKED: USER    
-DOCKED: USER    NEWDPF move ligand_HYDRO.pdbqt
-DOCKED: USER    NEWDPF about 65.716301 39.778900 -2.598500
-DOCKED: USER    NEWDPF tran0 83.203747 98.344833 -15.746588
-DOCKED: USER    NEWDPF quaternion0 0.580640 0.813349 -0.030620 0.019556
-DOCKED: USER    NEWDPF axisangle0 0.580752 0.813505 -0.030625 177.758911
-DOCKED: USER    NEWDPF quat0 0.580752 0.813505 -0.030625 177.758911
-DOCKED: USER    NEWDPF dihe0 -44.10 
-DOCKED: USER  keepresnum = 1 
-DOCKED: USER  
-DOCKED: REMARK  1 active torsions:
-DOCKED: REMARK  status: ('A' for Active; 'I' for Inactive)
-DOCKED: REMARK    1  A    between atoms: C2_3  and  C6_8 
-DOCKED: USER                              x       y       z     vdW  Elec       q    Type
-DOCKED: USER                           _______ _______ _______ _____ _____    ______ ____
-DOCKED: ROOT
-DOCKED: ATOM      1  N2  NCT E1206      84.465  99.750 -16.005 -0.56 +0.07    -0.067 N 
-DOCKED: ATOM      2  C6  NCT E1206      84.098  98.691 -16.999 -0.45 -0.22    +0.222 C 
-DOCKED: ATOM      3  C7  NCT E1206      85.294  97.772 -17.090 -0.66 -0.04    +0.040 C 
-DOCKED: ATOM      4  C8  NCT E1206      86.454  98.471 -16.407 -0.76 -0.02    +0.030 C 
-DOCKED: ATOM      5  C9  NCT E1206      85.869  99.626 -15.625 -0.54 -0.22    +0.235 C 
-DOCKED: ATOM      6  C10 NCT E1206      84.322 101.091 -16.599 -0.46 -0.28    +0.270 C 
-DOCKED: ATOM      7  H01 NCT E1206      83.854  99.633 -15.209 -0.33 -0.43    +0.280 HD
-DOCKED: ATOM      8  W   WAT X  99      82.643  99.401 -13.634 -0.20 -0.00    +0.000 W 
-DOCKED: ENDROOT
-DOCKED: BRANCH 2 9
-DOCKED: ATOM      9  C2  NCT E1206      82.869  97.961 -16.556 -0.56 +0.01    -0.010 A 
-DOCKED: ATOM     10  C1  NCT E1206      82.894  97.031 -15.503 -0.53 -0.13    +0.125 A 
-DOCKED: ATOM     11  N1  NCT E1206      81.786  96.391 -15.071 -0.39 +0.25    -0.273 NA
-DOCKED: ATOM     12  W   WAT X  99      81.961  94.430 -12.807 -0.84 -0.00    +0.000 W 
-DOCKED: ATOM     13  C5  NCT E1206      80.598  96.630 -15.654 -0.51 -0.10    +0.116 A 
-DOCKED: ATOM     14  C4  NCT E1206      80.508  97.542 -16.713 -0.55 -0.02    +0.020 A 
-DOCKED: ATOM     15  C3  NCT E1206      81.648  98.218 -17.156 -0.55 -0.01    +0.012 A 
-DOCKED: ENDBRANCH 2 9
-DOCKED: TORSDOF 1
-DOCKED: TER
-DOCKED: ENDMDL
-________________________________________________________________________________
-
-
-
-	BEGINNING GENETIC ALGORITHM DOCKING
-
-Run:	9 / 10
-Date:	Thu Jan 26 16:37:51 2012
-Output level is set to 1.
-
-call_glss  global_method GA   local_method Non-NULL
-
-Creating an initial population of 150 individuals.
-
-Assigning a random translation, a random orientation and 1 random torsions to each of the 150 individuals.
-
-Beginning LAMARCKIAN GENETIC ALGORITHM (LGA), with a maximum of 2500000 energy evaluations.
-
-Initial-Value: 292.286
-Generation:   0    Oldest's energy: 684757.649    Lowest energy: 292.286 [134]    Num.evals.: 150   Timing: Real= 0.00s,  CPU= 0.00s,  System= 0.00s
-Generation: 100    Oldest's energy: -9.240    Lowest energy: -9.240 [149]    Num.evals.: 155389   Timing: Real= 0.01s,  CPU= 0.01s,  System= 0.00s
-Generation: 200    Oldest's energy: -9.247    Lowest energy: -9.247 [68]    Num.evals.: 319966   Timing: Real= 0.02s,  CPU= 0.02s,  System= 0.00s
-Generation: 300    Oldest's energy: -9.248    Lowest energy: -9.248 [70]    Num.evals.: 469322   Timing: Real= 0.01s,  CPU= 0.01s,  System= 0.00s
-Generation: 400    Oldest's energy: -9.251    Lowest energy: -9.251 [149]    Num.evals.: 628385   Timing: Real= 0.00s,  CPU= 0.00s,  System= 0.00s
-Generation: 500    Oldest's energy: -9.253    Lowest energy: -9.253 [149]    Num.evals.: 792675   Timing: Real= 0.01s,  CPU= 0.01s,  System= 0.00s
-Generation: 600    Oldest's energy: -9.255    Lowest energy: -9.255 [149]    Num.evals.: 948960   Timing: Real= 0.01s,  CPU= 0.01s,  System= 0.00s
-Generation: 700    Oldest's energy: -9.255    Lowest energy: -9.255 [74]    Num.evals.: 1117686   Timing: Real= 0.01s,  CPU= 0.01s,  System= 0.00s
-Generation: 800    Oldest's energy: -9.264    Lowest energy: -9.264 [60]    Num.evals.: 1277731   Timing: Real= 0.01s,  CPU= 0.01s,  System= 0.00s
-Generation: 900    Oldest's energy: -9.265    Lowest energy: -9.265 [149]    Num.evals.: 1439923   Timing: Real= 0.01s,  CPU= 0.01s,  System= 0.00s
-Generation: 1000    Oldest's energy: -9.265    Lowest energy: -9.265 [116]    Num.evals.: 1598170   Timing: Real= 0.01s,  CPU= 0.01s,  System= 0.00s
-Generation: 1100    Oldest's energy: -9.265    Lowest energy: -9.265 [149]    Num.evals.: 1751747   Timing: Real= 0.01s,  CPU= 0.00s,  System= 0.00s
-Generation: 1200    Oldest's energy: -9.265    Lowest energy: -9.265 [149]    Num.evals.: 1907576   Timing: Real= 0.01s,  CPU= 0.00s,  System= 0.00s
-Generation: 1300    Oldest's energy: -9.265    Lowest energy: -9.265 [149]    Num.evals.: 2066580   Timing: Real= 0.02s,  CPU= 0.02s,  System= 0.00s
-Generation: 1400    Oldest's energy: -9.265    Lowest energy: -9.265 [149]    Num.evals.: 2226918   Timing: Real= 0.01s,  CPU= 0.01s,  System= 0.00s
-Generation: 1500    Oldest's energy: -9.265    Lowest energy: -9.265 [119]    Num.evals.: 2377346   Timing: Real= 0.01s,  CPU= 0.02s,  System= 0.00s
-Final-Value: -9.265
-after LGA, E from evalpso = -9.265
-
-Run completed;  time taken for this run:
-Real= 16.41s,  CPU= 16.40s,  System= 0.00s
-
-4:38 07" p.m., 01/26/2012
-Total number of Energy Evaluations: 2501188
-Total number of Generations:        1577
-
-
-	FINAL GENETIC ALGORITHM ALGORITHM DOCKED STATE
-	_______________________________________________
-
-
-Detailed state:	 trans 83.211 98.347 -15.750 quatxyzw -0.582266 -0.812105 0.030303 -0.023070 center 65.716 39.779 -2.599 ntor 1 -43.5579
-QState:	 83.211  98.347 -15.750  -0.58227 -0.81211 0.03030 -0.02307    -43.56
-State:	 83.211  98.347 -15.750  -0.582 -0.812  0.030 -177.356    -43.56
-
-DOCKED: MODEL        9
-DOCKED: USER    Run = 9
-DOCKED: USER    DPF = ligand_HYDRO_protein.dpf
-DOCKED: USER  
-DOCKED: USER    Estimated Free Energy of Binding    =   -8.74 kcal/mol  [=(1)+(2)+(3)-(4)]
-DOCKED: USER    Estimated Inhibition Constant, Ki   =  395.15 nM (nanomolar)  [Temperature = 298.15 K]
-DOCKED: USER    
-DOCKED: USER    (1) Final Intermolecular Energy     =   -9.01 kcal/mol
-DOCKED: USER        vdW + Hbond + desolv Energy     =   -7.89 kcal/mol
-DOCKED: USER        Electrostatic Energy            =   -1.12 kcal/mol
-DOCKED: USER    (2) Final Total Internal Energy     =   -0.25 kcal/mol
-DOCKED: USER    (3) Torsional Free Energy           =   +0.27 kcal/mol
-DOCKED: USER    (4) Unbound System's Energy  [=(2)] =   -0.25 kcal/mol
-DOCKED: USER    
-DOCKED: USER    
-DOCKED: USER    NEWDPF move ligand_HYDRO.pdbqt
-DOCKED: USER    NEWDPF about 65.716301 39.778900 -2.598500
-DOCKED: USER    NEWDPF tran0 83.211492 98.347307 -15.750298
-DOCKED: USER    NEWDPF quaternion0 -0.582266 -0.812105 0.030303 -0.023070
-DOCKED: USER    NEWDPF axisangle0 -0.582422 -0.812322 0.030311 -177.356105
-DOCKED: USER    NEWDPF quat0 -0.582422 -0.812322 0.030311 -177.356105
-DOCKED: USER    NEWDPF dihe0 -43.56 
-DOCKED: USER  keepresnum = 1 
-DOCKED: USER  
-DOCKED: REMARK  1 active torsions:
-DOCKED: REMARK  status: ('A' for Active; 'I' for Inactive)
-DOCKED: REMARK    1  A    between atoms: C2_3  and  C6_8 
-DOCKED: USER                              x       y       z     vdW  Elec       q    Type
-DOCKED: USER                           _______ _______ _______ _____ _____    ______ ____
-DOCKED: ROOT
-DOCKED: ATOM      1  N2  NCT E1206      84.477  99.748 -16.009 -0.56 +0.07    -0.067 N 
-DOCKED: ATOM      2  C6  NCT E1206      84.101  98.696 -17.006 -0.45 -0.22    +0.222 C 
-DOCKED: ATOM      3  C7  NCT E1206      85.293  97.771 -17.107 -0.66 -0.04    +0.040 C 
-DOCKED: ATOM      4  C8  NCT E1206      86.459  98.463 -16.428 -0.76 -0.02    +0.030 C 
-DOCKED: ATOM      5  C9  NCT E1206      85.883  99.616 -15.637 -0.54 -0.22    +0.235 C 
-DOCKED: ATOM      6  C10 NCT E1206      84.337 101.092 -16.597 -0.47 -0.28    +0.270 C 
-DOCKED: ATOM      7  H01 NCT E1206      83.870  99.630 -15.211 -0.33 -0.42    +0.280 HD
-DOCKED: ATOM      8  W   WAT X  99      82.667  99.396 -13.630 -0.20 -0.00    +0.000 W 
-DOCKED: ENDROOT
-DOCKED: BRANCH 2 9
-DOCKED: ATOM      9  C2  NCT E1206      82.871  97.969 -16.560 -0.56 +0.01    -0.010 A 
-DOCKED: ATOM     10  C1  NCT E1206      82.896  97.042 -15.503 -0.53 -0.13    +0.125 A 
-DOCKED: ATOM     11  N1  NCT E1206      81.786  96.406 -15.069 -0.39 +0.25    -0.273 NA
-DOCKED: ATOM     12  W   WAT X  99      81.960  94.452 -12.798 -0.84 -0.00    +0.000 W 
-DOCKED: ATOM     13  C5  NCT E1206      80.598  96.644 -15.652 -0.50 -0.10    +0.116 A 
-DOCKED: ATOM     14  C4  NCT E1206      80.509  97.552 -16.714 -0.55 -0.02    +0.020 A 
-DOCKED: ATOM     15  C3  NCT E1206      81.650  98.225 -17.160 -0.55 -0.01    +0.012 A 
-DOCKED: ENDBRANCH 2 9
-DOCKED: TORSDOF 1
-DOCKED: TER
-DOCKED: ENDMDL
-________________________________________________________________________________
-
-
-
-	BEGINNING GENETIC ALGORITHM DOCKING
-
-Run:	10 / 10
-Date:	Thu Jan 26 16:38:07 2012
-Output level is set to 1.
-
-call_glss  global_method GA   local_method Non-NULL
-
-Creating an initial population of 150 individuals.
-
-Assigning a random translation, a random orientation and 1 random torsions to each of the 150 individuals.
-
-Beginning LAMARCKIAN GENETIC ALGORITHM (LGA), with a maximum of 2500000 energy evaluations.
-
-Initial-Value: 16.312
-Generation:   0    Oldest's energy: 693317.683    Lowest energy: 16.312 [135]    Num.evals.: 150   Timing: Real= 0.00s,  CPU= 0.00s,  System= 0.00s
-Generation: 100    Oldest's energy: -9.046    Lowest energy: -9.046 [149]    Num.evals.: 159816   Timing: Real= 0.00s,  CPU= 0.01s,  System= 0.00s
-Generation: 200    Oldest's energy: -9.075    Lowest energy: -9.075 [149]    Num.evals.: 313538   Timing: Real= 0.01s,  CPU= 0.01s,  System= 0.00s
-Generation: 300    Oldest's energy: -9.083    Lowest energy: -9.083 [149]    Num.evals.: 472673   Timing: Real= 0.01s,  CPU= 0.00s,  System= 0.00s
-Generation: 400    Oldest's energy: -9.205    Lowest energy: -9.205 [149]    Num.evals.: 631983   Timing: Real= 0.01s,  CPU= 0.01s,  System= 0.00s
-Generation: 500    Oldest's energy: -9.250    Lowest energy: -9.250 [113]    Num.evals.: 782560   Timing: Real= 0.02s,  CPU= 0.02s,  System= 0.00s
-Generation: 600    Oldest's energy: -9.262    Lowest energy: -9.262 [113]    Num.evals.: 945234   Timing: Real= 0.01s,  CPU= 0.01s,  System= 0.00s
-Generation: 700    Oldest's energy: -9.262    Lowest energy: -9.262 [149]    Num.evals.: 1099697   Timing: Real= 0.01s,  CPU= 0.01s,  System= 0.00s
-Generation: 800    Oldest's energy: -9.263    Lowest energy: -9.263 [149]    Num.evals.: 1255959   Timing: Real= 0.02s,  CPU= 0.02s,  System= 0.00s
-Generation: 900    Oldest's energy: -9.263    Lowest energy: -9.263 [149]    Num.evals.: 1410123   Timing: Real= 0.01s,  CPU= 0.01s,  System= 0.00s
-Generation: 1000    Oldest's energy: -9.263    Lowest energy: -9.263 [149]    Num.evals.: 1566317   Timing: Real= 0.02s,  CPU= 0.01s,  System= 0.00s
-Generation: 1100    Oldest's energy: -9.263    Lowest energy: -9.263 [149]    Num.evals.: 1721190   Timing: Real= 0.02s,  CPU= 0.01s,  System= 0.00s
-Generation: 1200    Oldest's energy: -9.264    Lowest energy: -9.264 [119]    Num.evals.: 1870718   Timing: Real= 0.01s,  CPU= 0.01s,  System= 0.00s
-Generation: 1300    Oldest's energy: -9.264    Lowest energy: -9.264 [118]    Num.evals.: 2022246   Timing: Real= 0.01s,  CPU= 0.01s,  System= 0.00s
-Generation: 1400    Oldest's energy: -9.265    Lowest energy: -9.265 [105]    Num.evals.: 2180531   Timing: Real= 0.02s,  CPU= 0.01s,  System= 0.00s
-Generation: 1500    Oldest's energy: -9.265    Lowest energy: -9.265 [114]    Num.evals.: 2329327   Timing: Real= 0.01s,  CPU= 0.01s,  System= 0.00s
-Generation: 1600    Oldest's energy: -9.265    Lowest energy: -9.265 [118]    Num.evals.: 2480954   Timing: Real= 0.01s,  CPU= 0.00s,  System= 0.00s
-Final-Value: -9.265
-after LGA, E from evalpso = -9.265
-
-Run completed;  time taken for this run:
-Real= 16.44s,  CPU= 16.42s,  System= 0.03s
-
-4:38 24" p.m., 01/26/2012
-Total number of Energy Evaluations: 2500088
-Total number of Generations:        1612
-
-
-	FINAL GENETIC ALGORITHM ALGORITHM DOCKED STATE
-	_______________________________________________
-
-
-Detailed state:	 trans 83.195 98.330 -15.747 quatxyzw 0.578339 0.815005 -0.030052 0.019686 center 65.716 39.779 -2.599 ntor 1 -43.3693
-QState:	 83.195  98.330 -15.747  0.57834 0.81500 -0.03005 0.01969    -43.37
-State:	 83.195  98.330 -15.747   0.578  0.815 -0.030 177.744    -43.37
-
-DOCKED: MODEL       10
-DOCKED: USER    Run = 10
-DOCKED: USER    DPF = ligand_HYDRO_protein.dpf
-DOCKED: USER  
-DOCKED: USER    Estimated Free Energy of Binding    =   -8.74 kcal/mol  [=(1)+(2)+(3)-(4)]
-DOCKED: USER    Estimated Inhibition Constant, Ki   =  394.95 nM (nanomolar)  [Temperature = 298.15 K]
-DOCKED: USER    
-DOCKED: USER    (1) Final Intermolecular Energy     =   -9.01 kcal/mol
-DOCKED: USER        vdW + Hbond + desolv Energy     =   -7.88 kcal/mol
-DOCKED: USER        Electrostatic Energy            =   -1.13 kcal/mol
-DOCKED: USER    (2) Final Total Internal Energy     =   -0.25 kcal/mol
-DOCKED: USER    (3) Torsional Free Energy           =   +0.27 kcal/mol
-DOCKED: USER    (4) Unbound System's Energy  [=(2)] =   -0.25 kcal/mol
-DOCKED: USER    
-DOCKED: USER    
-DOCKED: USER    NEWDPF move ligand_HYDRO.pdbqt
-DOCKED: USER    NEWDPF about 65.716301 39.778900 -2.598500
-DOCKED: USER    NEWDPF tran0 83.194569 98.330123 -15.747378
-DOCKED: USER    NEWDPF quaternion0 0.578339 0.815005 -0.030052 0.019686
-DOCKED: USER    NEWDPF axisangle0 0.578452 0.815163 -0.030058 177.743966
-DOCKED: USER    NEWDPF quat0 0.578452 0.815163 -0.030058 177.743966
-DOCKED: USER    NEWDPF dihe0 -43.37 
-DOCKED: USER  keepresnum = 1 
-DOCKED: USER  
-DOCKED: REMARK  1 active torsions:
-DOCKED: REMARK  status: ('A' for Active; 'I' for Inactive)
-DOCKED: REMARK    1  A    between atoms: C2_3  and  C6_8 
-DOCKED: USER                              x       y       z     vdW  Elec       q    Type
-DOCKED: USER                           _______ _______ _______ _____ _____    ______ ____
-DOCKED: ROOT
-DOCKED: ATOM      1  N2  NCT E1206      84.448  99.742 -16.003 -0.55 +0.07    -0.067 N 
-DOCKED: ATOM      2  C6  NCT E1206      84.088  98.683 -16.999 -0.45 -0.22    +0.222 C 
-DOCKED: ATOM      3  C7  NCT E1206      85.289  97.771 -17.091 -0.66 -0.04    +0.040 C 
-DOCKED: ATOM      4  C8  NCT E1206      86.445  98.476 -16.407 -0.76 -0.02    +0.030 C 
-DOCKED: ATOM      5  C9  NCT E1206      85.852  99.626 -15.623 -0.54 -0.22    +0.235 C 
-DOCKED: ATOM      6  C10 NCT E1206      84.298 101.083 -16.596 -0.46 -0.28    +0.270 C 
-DOCKED: ATOM      7  H01 NCT E1206      83.837  99.621 -15.208 -0.33 -0.43    +0.280 HD
-DOCKED: ATOM      8  W   WAT X  99      82.627  99.380 -13.634 -0.20 -0.00    +0.000 W 
-DOCKED: ENDROOT
-DOCKED: BRANCH 2 9
-DOCKED: ATOM      9  C2  NCT E1206      82.863  97.945 -16.558 -0.56 +0.01    -0.010 A 
-DOCKED: ATOM     10  C1  NCT E1206      82.889  97.026 -15.495 -0.53 -0.13    +0.125 A 
-DOCKED: ATOM     11  N1  NCT E1206      81.784  96.379 -15.065 -0.39 +0.25    -0.273 NA
-DOCKED: ATOM     12  W   WAT X  99      81.963  94.441 -12.782 -0.84 -0.00    +0.000 W 
-DOCKED: ATOM     13  C5  NCT E1206      80.597  96.602 -15.658 -0.51 -0.10    +0.116 A 
-DOCKED: ATOM     14  C4  NCT E1206      80.507  97.502 -16.726 -0.55 -0.02    +0.020 A 
-DOCKED: ATOM     15  C3  NCT E1206      81.643  98.185 -17.168 -0.55 -0.01    +0.012 A 
-DOCKED: ENDBRANCH 2 9
-DOCKED: TORSDOF 1
-DOCKED: TER
-DOCKED: ENDMDL
-________________________________________________________________________________
-
-
-
-DPF> analysis                             # perform a ranked cluster analysis
-
-
-		CLUSTER ANALYSIS OF CONFORMATIONS
-		_________________________________
-
-Number of conformations = 10
-
-RMSD cluster analysis will be performed using the ligand atoms only (15 / 15 total atoms).
-
-RMS Reference Coordinates from "ligand_xray_HYDRO.pdbqt":-
-
-Atom     1,  x,y,z =   84.478   99.855  -15.974
-Atom     2,  x,y,z =   84.119   98.984  -17.138
-Atom     3,  x,y,z =   85.325   98.109  -17.392
-Atom     4,  x,y,z =   86.480   98.691  -16.600
-Atom     5,  x,y,z =   85.885   99.683  -15.625
-Atom     6,  x,y,z =   84.317  101.278  -16.323
-Atom     7,  x,y,z =   83.872   99.593  -15.210
-Atom     8,  x,y,z =   82.672   99.074  -13.697
-Atom     9,  x,y,z =   82.901   98.172  -16.827
-Atom    10,  x,y,z =   82.855   97.284  -15.739
-Atom    11,  x,y,z =   81.749   96.572  -15.427
-Atom    12,  x,y,z =   81.767   94.713  -13.073
-Atom    13,  x,y,z =   80.635   96.694  -16.170
-Atom    14,  x,y,z =   80.619   97.559  -17.271
-Atom    15,  x,y,z =   81.754   98.309  -17.592
-
-STATE VARIABLES:
-________________
-
-Translation x,y,z         = 83.210 98.340 -15.758
-Quaternion x,y,z,w        = 0.581930 0.812292 -0.029464 0.025909
-Axis-Angle nx,ny,nz,angle = 0.582 0.813 -0.029 177.031
-Center x,y,z         = 65.716 39.779 -2.599
-Number of Torsions        = 1
-Torsions (degrees)        = -42.80
-
-
-STATE VARIABLES:
-________________
-
-Translation x,y,z         = 83.195 98.323 -15.756
-Quaternion x,y,z,w        = -0.578829 -0.814614 0.031391 -0.019360
-Axis-Angle nx,ny,nz,angle = -0.579 -0.815 0.031 -177.781
-Center x,y,z         = 65.716 39.779 -2.599
-Number of Torsions        = 1
-Torsions (degrees)        = -43.16
-
-
-STATE VARIABLES:
-________________
-
-Translation x,y,z         = 83.208 98.356 -15.749
-Quaternion x,y,z,w        = -0.583438 -0.811153 0.037707 -0.014440
-Axis-Angle nx,ny,nz,angle = -0.583 -0.811 0.038 -178.345
-Center x,y,z         = 65.716 39.779 -2.599
-Number of Torsions        = 1
-Torsions (degrees)        = -45.72
-
-
-STATE VARIABLES:
-________________
-
-Translation x,y,z         = 83.213 98.361 -15.763
-Quaternion x,y,z,w        = -0.582993 -0.811534 0.032880 -0.021237
-Axis-Angle nx,ny,nz,angle = -0.583 -0.812 0.033 -177.566
-Center x,y,z         = 65.716 39.779 -2.599
-Number of Torsions        = 1
-Torsions (degrees)        = -43.83
-
-
-STATE VARIABLES:
-________________
-
-Translation x,y,z         = 83.223 98.356 -15.758
-Quaternion x,y,z,w        = 0.586358 0.808948 -0.027928 0.031750
-Axis-Angle nx,ny,nz,angle = 0.587 0.809 -0.028 176.361
-Center x,y,z         = 65.716 39.779 -2.599
-Number of Torsions        = 1
-Torsions (degrees)        = -43.50
-
-
-STATE VARIABLES:
-________________
-
-Translation x,y,z         = 83.192 98.340 -15.754
-Quaternion x,y,z,w        = 0.579508 0.814113 -0.031397 0.020098
-Axis-Angle nx,ny,nz,angle = 0.580 0.814 -0.031 177.697
-Center x,y,z         = 65.716 39.779 -2.599
-Number of Torsions        = 1
-Torsions (degrees)        = -43.75
-
-
-STATE VARIABLES:
-________________
-
-Translation x,y,z         = 83.204 98.350 -15.743
-Quaternion x,y,z,w        = 0.581454 0.812534 -0.039774 0.010831
-Axis-Angle nx,ny,nz,angle = 0.581 0.813 -0.040 178.759
-Center x,y,z         = 65.716 39.779 -2.599
-Number of Torsions        = 1
-Torsions (degrees)        = -45.30
-
-
-STATE VARIABLES:
-________________
-
-Translation x,y,z         = 83.204 98.345 -15.747
-Quaternion x,y,z,w        = 0.580640 0.813349 -0.030620 0.019556
-Axis-Angle nx,ny,nz,angle = 0.581 0.814 -0.031 177.759
-Center x,y,z         = 65.716 39.779 -2.599
-Number of Torsions        = 1
-Torsions (degrees)        = -44.10
-
-
-STATE VARIABLES:
-________________
-
-Translation x,y,z         = 83.211 98.347 -15.750
-Quaternion x,y,z,w        = -0.582266 -0.812105 0.030303 -0.023070
-Axis-Angle nx,ny,nz,angle = -0.582 -0.812 0.030 -177.356
-Center x,y,z         = 65.716 39.779 -2.599
-Number of Torsions        = 1
-Torsions (degrees)        = -43.56
-
-
-STATE VARIABLES:
-________________
-
-Translation x,y,z         = 83.195 98.330 -15.747
-Quaternion x,y,z,w        = 0.578339 0.815005 -0.030052 0.019686
-Axis-Angle nx,ny,nz,angle = 0.578 0.815 -0.030 177.744
-Center x,y,z         = 65.716 39.779 -2.599
-Number of Torsions        = 1
-Torsions (degrees)        = -43.37
-
-
-Outputting structurally similar clusters, ranked in order of increasing energy.
-
-
-________________________________________________________________________________
-
-Number of distinct conformational clusters found = 1,  out of 10 runs,
-Using an rmsd-tolerance of 2.0 A
-
-
-	CLUSTERING HISTOGRAM
-	____________________
-
-________________________________________________________________________________
-     |           |     |           |     |                                    
-Clus | Lowest    | Run | Mean      | Num | Histogram                          
--ter | Binding   |     | Binding   | in  |                                    
-Rank | Energy    |     | Energy    | Clus|    5    10   15   20   25   30   35
-_____|___________|_____|___________|_____|____:____|____:____|____:____|____:___
-   1 |     -8.74 |   3 |     -8.74 |  10 |##########
-_____|___________|_____|___________|_____|______________________________________
-
-
-Number of multi-member conformational clusters found = 1, out of 10 runs.
-
-	RMSD TABLE
-	__________
-
-_____________________________________________________________________
-     |      |      |           |         |                 |
-Rank | Sub- | Run  | Binding   | Cluster | Reference       | Grep
-     | Rank |      | Energy    | RMSD    | RMSD            | Pattern
-_____|______|______|___________|_________|_________________|___________
-   1      1      3       -8.74      0.00      0.39           RANKING
-   1      2      8       -8.74      0.03      0.37           RANKING
-   1      3      7       -8.74      0.02      0.40           RANKING
-   1      4      6       -8.74      0.04      0.37           RANKING
-   1      5      4       -8.74      0.03      0.36           RANKING
-   1      6     10       -8.74      0.05      0.37           RANKING
-   1      7      9       -8.74      0.03      0.36           RANKING
-   1      8      2       -8.74      0.05      0.37           RANKING
-   1      9      1       -8.73      0.04      0.36           RANKING
-   1     10      5       -8.73      0.05      0.36           RANKING
-_______________________________________________________________________
-
-
-
-	INFORMATION ENTROPY ANALYSIS FOR THIS CLUSTERING
-	________________________________________________
-
-
-Information entropy for this clustering = 0.00  (rmstol = 2.00 Angstrom)
-
-_______________________________________________________________________
-
-
-	STATISTICAL MECHANICAL ANALYSIS
-	_______________________________
-
-
-Partition function, Q =    10.15            at Temperature, T = 298.15 K
-Free energy,        A ~ -1372.97 kcal/mol   at Temperature, T = 298.15 K
-Internal energy,    U =    -8.74 kcal/mol   at Temperature, T = 298.15 K
-Entropy,            S =     4.58 kcal/mol/K at Temperature, T = 298.15 K
-
-_______________________________________________________________________
-
-
-	LOWEST ENERGY DOCKED CONFORMATION from EACH CLUSTER
-	___________________________________________________
-
-
-
-Keeping original residue number (specified in the input PDBQ file) for outputting.
-
-MODEL        3
-USER    Run = 3
-USER    Cluster Rank = 1
-USER    Number of conformations in this cluster = 10
-USER  
-USER    RMSD from reference structure       = 0.387 A
-USER  
-USER    Estimated Free Energy of Binding    =   -8.74 kcal/mol  [=(1)+(2)+(3)-(4)]
-USER    Estimated Inhibition Constant, Ki   =  393.91 nM (nanomolar)  [Temperature = 298.15 K]
-USER    
-USER    (1) Final Intermolecular Energy     =   -9.01 kcal/mol
-USER        vdW + Hbond + desolv Energy     =   -7.90 kcal/mol
-USER        Electrostatic Energy            =   -1.11 kcal/mol
-USER    (2) Final Total Internal Energy     =   -0.25 kcal/mol
-USER    (3) Torsional Free Energy           =   +0.27 kcal/mol
-USER    (4) Unbound System's Energy  [=(2)] =   -0.25 kcal/mol
-USER    
-USER    
-USER  
-USER    DPF = ligand_HYDRO_protein.dpf
-USER    NEWDPF move	ligand_HYDRO.pdbqt
-USER    NEWDPF about	65.716301 39.778900 -2.598500
-USER    NEWDPF tran0	83.207838 98.356069 -15.749166
-USER    NEWDPF axisangle0	-0.583499 -0.811238 0.037711 -178.345265
-USER    NEWDPF quaternion0	-0.583438 -0.811153 0.037707 -0.014440
-USER    NEWDPF dihe0	-45.72 
-USER  
-USER                              x       y       z    vdW   Elec        q     RMS 
-ATOM      1  N2  NCT E1206      84.478  99.748 -16.032 -0.57 +0.07    -0.067     0.387
-ATOM      2  C6  NCT E1206      84.105  98.675 -17.007 -0.45 -0.22    +0.222     0.387
-ATOM      3  C7  NCT E1206      85.295  97.746 -17.082 -0.65 -0.04    +0.040     0.387
-ATOM      4  C8  NCT E1206      86.459  98.450 -16.411 -0.76 -0.02    +0.030     0.387
-ATOM      5  C9  NCT E1206      85.881  99.621 -15.650 -0.55 -0.22    +0.235     0.387
-ATOM      6  C10 NCT E1206      84.344 101.079 -16.650 -0.46 -0.28    +0.270     0.387
-ATOM      7  H01 NCT E1206      83.866  99.649 -15.235 -0.33 -0.42    +0.280     0.387
-ATOM      8  W   WAT X  99      82.654  99.453 -13.656 -0.20 -0.00    +0.000     0.387
-ATOM      9  C2  NCT E1206      82.871  97.960 -16.552 -0.56 +0.01    -0.010     0.387
-ATOM     10  C1  NCT E1206      82.896  97.024 -15.504 -0.53 -0.13    +0.125     0.387
-ATOM     11  N1  NCT E1206      81.784  96.399 -15.061 -0.39 +0.25    -0.273     0.387
-ATOM     12  W   WAT X  99      81.960  94.422 -12.810 -0.84 -0.00    +0.000     0.387
-ATOM     13  C5  NCT E1206      80.592  96.658 -15.627 -0.50 -0.10    +0.116     0.387
-ATOM     14  C4  NCT E1206      80.502  97.577 -16.680 -0.55 -0.02    +0.020     0.387
-ATOM     15  C3  NCT E1206      81.646  98.238 -17.134 -0.55 -0.01    +0.012     0.387
-TER
-ENDMDL
-
-
-AVSFLD: # AVS field file
-AVSFLD: #
-AVSFLD: # Created by AutoDock
-AVSFLD: #
-AVSFLD: ndim=2           # number of dimensions in the field
-AVSFLD: nspace=1         # number of physical coordinates
-AVSFLD: veclen=7         # vector size
-AVSFLD: dim1=15          # atoms
-AVSFLD: dim2=1           # conformations
-AVSFLD: data=Real       # data type (byte,integer,Real,double)
-AVSFLD: field=uniform    # field coordinate layout
-AVSFLD: label= x y z vdW Elec q RMS
-AVSFLD: variable 1 file = ligand_HYDRO_protein.dlg.pdb filetype = ascii offset = 5 stride = 12
-AVSFLD: variable 2 file = ligand_HYDRO_protein.dlg.pdb filetype = ascii offset = 6 stride = 12
-AVSFLD: variable 3 file = ligand_HYDRO_protein.dlg.pdb filetype = ascii offset = 7 stride = 12
-AVSFLD: variable 4 file = ligand_HYDRO_protein.dlg.pdb filetype = ascii offset = 8 stride = 12
-AVSFLD: variable 5 file = ligand_HYDRO_protein.dlg.pdb filetype = ascii offset = 9 stride = 12
-AVSFLD: variable 6 file = ligand_HYDRO_protein.dlg.pdb filetype = ascii offset = 10 stride = 12
-AVSFLD: variable 7 file = ligand_HYDRO_protein.dlg.pdb filetype = ascii offset = 11 stride = 12
-AVSFLD: # end of file
-
->>> Closing the docking parameter file (DPF)...
-
-This docking finished at:			4:38 24" p.m., 01/26/2012
-
-
-
-
-________________________________________________________________________________
-
-autodock4: Successful Completion on "atara"
-
-Real= 2m 44.66s,  CPU= 2m 44.54s,  System= 0.11s
-________________________________________________________________________________
-
diff --git a/example/hydrated_docking/ligand_HYDRO_protein.dpf b/example/hydrated_docking/ligand_HYDRO_protein.dpf
deleted file mode 100644
index 17300a3c..00000000
--- a/example/hydrated_docking/ligand_HYDRO_protein.dpf
+++ /dev/null
@@ -1,48 +0,0 @@
-autodock_parameter_version 4.2       # used by autodock to validate parameter set
-parameter_file AD4_water_forcefield.dat #  *** ADD CUSTOM FORCEFIELD PARAMETER FILE *** 
-outlev 1                             # diagnostic output level
-intelec                              # calculate internal electrostatics
-seed pid time                        # seeds for random generator
-ligand_types A C HD N NA W           # atoms types in ligand  *** ADD W ATOM TO LIGAND TYPES ***
-fld protein.maps.fld                 # grid_data_file
-map protein.A.map                    # atom-specific affinity map
-map protein.C.map                    # atom-specific affinity map
-map protein.HD.map                   # atom-specific affinity map
-map protein.N.map                    # atom-specific affinity map
-map protein.NA.map                   # atom-specific affinity map
-map protein.W.map                    # atom-specific affinity map  *** ADD W MAP TO THE LIST OF MAP FILES ***
-elecmap protein.e.map                # electrostatics map
-desolvmap protein.d.map              # desolvation map
-move ligand_HYDRO.pdbqt              # small molecule       *** SET THE LIGAND NAME TO THE HYDRATED FILE ***
-about 65.7163 39.7789 -2.5985        # small molecule center
-tran0 random                         # initial coordinates/A or random
-axisangle0 random                    # initial orientation
-dihe0 random                         # initial dihedrals (relative) or random
-tstep 2.0                            # translation step/A
-qstep 50.0                           # quaternion step/deg
-dstep 50.0                           # torsion step/deg
-torsdof 1                            # torsional degrees of freedom
-rmstol 2.0                           # cluster_tolerance/A
-rmsref ligand_xray_HYDRO.pdbqt                  # reference ligand conformation
-extnrg 1000.0                        # external grid energy
-e0max 0.0 10000                      # max initial energy; max number of retries
-ga_pop_size 150                      # number of individuals in population
-ga_num_evals 2500000                 # maximum number of energy evaluations
-ga_num_generations 27000             # maximum number of generations
-ga_elitism 1                         # number of top individuals to survive to next generation
-ga_mutation_rate 0.02                # rate of gene mutation
-ga_crossover_rate 0.8                # rate of crossover
-ga_window_size 10                    # 
-ga_cauchy_alpha 0.0                  # Alpha parameter of Cauchy distribution
-ga_cauchy_beta 1.0                   # Beta parameter Cauchy distribution
-set_ga                               # set the above parameters for GA or LGA
-sw_max_its 300                       # iterations of Solis & Wets local search
-sw_max_succ 4                        # consecutive successes before changing rho
-sw_max_fail 4                        # consecutive failures before changing rho
-sw_rho 1.0                           # size of local search space to sample
-sw_lb_rho 0.01                       # lower bound on rho
-ls_search_freq 0.06                  # probability of performing local search on individual
-set_psw1                             # set the above pseudo-Solis & Wets parameters
-unbound_model bound                  # state of unbound ligand
-ga_run 10                            # do this many hybrid GA-LS runs
-analysis                             # perform a ranked cluster analysis
diff --git a/example/hydrated_docking/ligand_HYDRO_protein_LELC_DRY_SCORED.pdbqt b/example/hydrated_docking/ligand_HYDRO_protein_LELC_DRY_SCORED.pdbqt
deleted file mode 100644
index 7a0e91da..00000000
--- a/example/hydrated_docking/ligand_HYDRO_protein_LELC_DRY_SCORED.pdbqt
+++ /dev/null
@@ -1,51 +0,0 @@
-MODEL        3
-USER    Run = 3
-USER    DPF = ligand_HYDRO_protein.dpf
-USER
-USER    Estimated Free Energy of Binding    =   -8.74 kcal/mol  [=(1)+(2)+(3)-(4)]
-USER    Estimated Inhibition Constant, Ki   =  393.91 nM (nanomolar)  [Temperature = 298.15 K]
-USER
-USER    (1) Final Intermolecular Energy     =   -9.01 kcal/mol
-USER        vdW + Hbond + desolv Energy     =   -7.90 kcal/mol
-USER        Electrostatic Energy            =   -1.11 kcal/mol
-USER    (2) Final Total Internal Energy     =   -0.25 kcal/mol
-USER    (3) Torsional Free Energy           =   +0.27 kcal/mol
-USER    (4) Unbound System's Energy  [=(2)] =   -0.25 kcal/mol
-USER
-USER
-USER    NEWDPF move ligand_HYDRO.pdbqt
-USER    NEWDPF about 65.716301 39.778900 -2.598500
-USER    NEWDPF tran0 83.207838 98.356069 -15.749166
-USER    NEWDPF quaternion0 -0.583438 -0.811153 0.037707 -0.014440
-USER    NEWDPF axisangle0 -0.583499 -0.811238 0.037711 -178.345265
-USER    NEWDPF quat0 -0.583499 -0.811238 0.037711 -178.345265
-USER    NEWDPF dihe0 -45.72
-USER  keepresnum = 1
-USER
-REMARK  1 active torsions:
-REMARK  status: ('A' for Active; 'I' for Inactive)
-REMARK    1  A    between atoms: C2_3  and  C6_8
-USER                              x       y       z     vdW  Elec       q    Type
-USER                           _______ _______ _______ _____ _____    ______ ____
-ROOT
-ATOM      1  N2  NCT E1206      84.478  99.748 -16.032  1.00 10.00           N
-ATOM      2  C6  NCT E1206      84.105  98.675 -17.007  1.00 10.00           C
-ATOM      3  C7  NCT E1206      85.295  97.746 -17.082  1.00 10.00           C
-ATOM      4  C8  NCT E1206      86.459  98.450 -16.411  1.00 10.00           C
-ATOM      5  C9  NCT E1206      85.881  99.621 -15.650  1.00 10.00           C
-ATOM      6  C10 NCT E1206      84.344 101.079 -16.650  1.00 10.00           C
-ATOM      7  H01 NCT E1206      83.866  99.649 -15.235  1.00 10.00           HD
-ENDROOT
-BRANCH 2 9
-ATOM      9  C2  NCT E1206      82.871  97.960 -16.552  1.00 10.00           A
-ATOM     10  C1  NCT E1206      82.896  97.024 -15.504  1.00 10.00           A
-ATOM     11  N1  NCT E1206      81.784  96.399 -15.061  1.00 10.00           NA
-REMARK  STRONG water ( score: -0.91 )
-ATOM     12  W   WAT X  99      81.960  94.422 -12.810  1.00 30.00           W
-ATOM     13  C5  NCT E1206      80.592  96.658 -15.627  1.00 10.00           A
-ATOM     14  C4  NCT E1206      80.502  97.577 -16.680  1.00 10.00           A
-ATOM     15  C3  NCT E1206      81.646  98.238 -17.134  1.00 10.00           A
-ENDBRANCH 2 9
-TORSDOF 1
-TER
-ENDMDL
diff --git a/example/hydrated_docking/ligand_prepared.pdbqt b/example/hydrated_docking/ligand_prepared.pdbqt
deleted file mode 100644
index 626731f7..00000000
--- a/example/hydrated_docking/ligand_prepared.pdbqt
+++ /dev/null
@@ -1,21 +0,0 @@
-REMARK  Flexibility Score: inf
-REMARK  Active torsions [ 1 ] -> [ 1 ]
-ROOT
-ATOM      1  N1  LIG L   1      66.636  41.442  -2.464  1.00  0.00    -0.067 N 
-ATOM      2  C1  LIG L   1      65.758  40.826  -1.419  1.00  0.00     0.222 C 
-ATOM      3  C2  LIG L   1      64.500  41.663  -1.384  1.00  0.00     0.040 C 
-ATOM      4  C3  LIG L   1      64.782  42.934  -2.162  1.00  0.00     0.030 C 
-ATOM      5  C4  LIG L   1      66.061  42.699  -2.934  1.00  0.00     0.235 C 
-ATOM      6  C5  LIG L   1      67.953  41.785  -1.898  1.00  0.00     0.270 C 
-ATOM      7  H1  LIG L   1      66.721  40.770  -3.213  1.00  0.00     0.280 HD
-ATOM      8  *1  LIG L   1      66.889  39.439  -4.696  1.00  0.00     0.000 W 
-ENDROOT
-BRANCH    2    9
-ATOM      9  C6  LIG L   1      65.465  39.398  -1.758  1.00  0.00    -0.010 C 
-ATOM     10  C7  LIG L   1      65.410  38.944  -3.087  1.00  0.00     0.125 C 
-ATOM     11  C8  LIG L   1      65.278  38.464  -0.753  1.00  0.00     0.012 C 
-ATOM     12  N2  LIG L   1      65.181  37.651  -3.405  1.00  0.00    -0.273 N 
-ATOM     13  C9  LIG L   1      65.028  37.131  -1.090  1.00  0.00     0.020 C 
-ATOM     14 C10  LIG L   1      64.991  36.740  -2.434  1.00  0.00     0.116 C 
-ENDBRANCH    2    9
-TORSDOF 1
diff --git a/example/hydrated_docking/ligand_xray.pdbqt b/example/hydrated_docking/ligand_xray.pdbqt
deleted file mode 100644
index 3a0dc3a9..00000000
--- a/example/hydrated_docking/ligand_xray.pdbqt
+++ /dev/null
@@ -1,21 +0,0 @@
-REMARK  1 active torsions:
-REMARK  status: ('A' for Active; 'I' for Inactive)
-REMARK    1  A    between atoms: C2_3  and  C6_8 
-ROOT
-HETATM    1  N2  NCT E1206      84.478  99.855 -15.974  1.00 22.84    -0.067 N 
-HETATM    2  C6  NCT E1206      84.119  98.984 -17.138  1.00 23.21     0.222 C 
-HETATM    3  C7  NCT E1206      85.325  98.109 -17.392  1.00 24.64     0.040 C 
-HETATM    4  C8  NCT E1206      86.480  98.691 -16.600  1.00 22.89     0.030 C 
-HETATM    5  C9  NCT E1206      85.885  99.683 -15.625  1.00 23.46     0.235 C 
-HETATM    6  C10 NCT E1206      84.317 101.278 -16.323  1.00 20.24     0.270 C 
-HETATM    7  H01 NCT E1206      83.872  99.593 -15.210  1.00 22.84     0.280 HD
-ENDROOT
-BRANCH   2   8
-HETATM    8  C2  NCT E1206      82.901  98.172 -16.827  1.00 22.63    -0.010 A 
-HETATM    9  C1  NCT E1206      82.855  97.284 -15.739  1.00 24.23     0.125 A 
-HETATM   10  N1  NCT E1206      81.749  96.572 -15.427  1.00 23.15    -0.273 NA
-HETATM   11  C5  NCT E1206      80.635  96.694 -16.170  1.00 23.65     0.116 A 
-HETATM   12  C4  NCT E1206      80.619  97.559 -17.271  1.00 23.20     0.020 A 
-HETATM   13  C3  NCT E1206      81.754  98.309 -17.592  1.00 22.92     0.012 A 
-ENDBRANCH   2   8
-TORSDOF 1
diff --git a/example/hydrated_docking/ligand_xray_HYDRO.pdbqt b/example/hydrated_docking/ligand_xray_HYDRO.pdbqt
deleted file mode 100644
index 2041349c..00000000
--- a/example/hydrated_docking/ligand_xray_HYDRO.pdbqt
+++ /dev/null
@@ -1,23 +0,0 @@
-REMARK  1 active torsions:
-REMARK  status: ('A' for Active; 'I' for Inactive)
-REMARK    1  A    between atoms: C2_3  and  C6_8 
-ROOT
-HETATM    1  N2  NCT E1206      84.478  99.855 -15.974  1.00 22.84    -0.067 N 
-HETATM    2  C6  NCT E1206      84.119  98.984 -17.138  1.00 23.21     0.222 C 
-HETATM    3  C7  NCT E1206      85.325  98.109 -17.392  1.00 24.64     0.040 C 
-HETATM    4  C8  NCT E1206      86.480  98.691 -16.600  1.00 22.89     0.030 C 
-HETATM    5  C9  NCT E1206      85.885  99.683 -15.625  1.00 23.46     0.235 C 
-HETATM    6  C10 NCT E1206      84.317 101.278 -16.323  1.00 20.24     0.270 C 
-HETATM    7  H01 NCT E1206      83.872  99.593 -15.210  1.00 22.84     0.280 HD
-HETATM    8  W   WAT X  99      82.672  99.074 -13.697  1.00 10.00     0.000 W
-ENDROOT
-BRANCH 2 9
-HETATM    9  C2  NCT E1206      82.901  98.172 -16.827  1.00 22.63    -0.010 A 
-HETATM   10  C1  NCT E1206      82.855  97.284 -15.739  1.00 24.23     0.125 A 
-HETATM   11  N1  NCT E1206      81.749  96.572 -15.427  1.00 23.15    -0.273 NA
-HETATM   12  W   WAT X  99      81.767  94.713 -13.073  1.00 10.00     0.000 W
-HETATM   13  C5  NCT E1206      80.635  96.694 -16.170  1.00 23.65     0.116 A 
-HETATM   14  C4  NCT E1206      80.619  97.559 -17.271  1.00 23.20     0.020 A 
-HETATM   15  C3  NCT E1206      81.754  98.309 -17.592  1.00 22.92     0.012 A 
-ENDBRANCH 2 9
-TORSDOF 1
diff --git a/example/hydrated_docking/protein.A.map b/example/hydrated_docking/protein.A.map
deleted file mode 100644
index 5be093c5..00000000
--- a/example/hydrated_docking/protein.A.map
+++ /dev/null
@@ -1,132657 +0,0 @@
-GRID_PARAMETER_FILE protein.gpf
-GRID_DATA_FILE protein.maps.fld
-MACROMOLECULE protein.pdbqt
-SPACING 0.375
-NELEMENTS 50 50 50
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diff --git a/example/hydrated_docking/protein.C.map b/example/hydrated_docking/protein.C.map
deleted file mode 100644
index 8a582c51..00000000
--- a/example/hydrated_docking/protein.C.map
+++ /dev/null
@@ -1,132657 +0,0 @@
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diff --git a/example/hydrated_docking/protein.HD.map b/example/hydrated_docking/protein.HD.map
deleted file mode 100644
index 64d273bd..00000000
--- a/example/hydrated_docking/protein.HD.map
+++ /dev/null
@@ -1,132657 +0,0 @@
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diff --git a/example/hydrated_docking/protein.N.map b/example/hydrated_docking/protein.N.map
deleted file mode 100644
index 33d8154f..00000000
--- a/example/hydrated_docking/protein.N.map
+++ /dev/null
@@ -1,132657 +0,0 @@
-GRID_PARAMETER_FILE protein.gpf
-GRID_DATA_FILE protein.maps.fld
-MACROMOLECULE protein.pdbqt
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diff --git a/example/hydrated_docking/protein.NA.map b/example/hydrated_docking/protein.NA.map
deleted file mode 100644
index 4d0344e3..00000000
--- a/example/hydrated_docking/protein.NA.map
+++ /dev/null
@@ -1,132657 +0,0 @@
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diff --git a/example/hydrated_docking/protein.OA.map b/example/hydrated_docking/protein.OA.map
deleted file mode 100644
index 557c9ad3..00000000
--- a/example/hydrated_docking/protein.OA.map
+++ /dev/null
@@ -1,132657 +0,0 @@
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diff --git a/example/hydrated_docking/protein.W.map b/example/hydrated_docking/protein.W.map
deleted file mode 100644
index 26bb1fb3..00000000
--- a/example/hydrated_docking/protein.W.map
+++ /dev/null
@@ -1,132657 +0,0 @@
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diff --git a/example/hydrated_docking/protein.d.map b/example/hydrated_docking/protein.d.map
deleted file mode 100644
index 9a28cc8d..00000000
--- a/example/hydrated_docking/protein.d.map
+++ /dev/null
@@ -1,132657 +0,0 @@
-GRID_PARAMETER_FILE protein.gpf
-GRID_DATA_FILE protein.maps.fld
-MACROMOLECULE protein.pdbqt
-SPACING 0.375
-NELEMENTS 50 50 50
-CENTER 83.461 98.522 -16.407
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diff --git a/example/hydrated_docking/protein.e.map b/example/hydrated_docking/protein.e.map
deleted file mode 100644
index b5e635d9..00000000
--- a/example/hydrated_docking/protein.e.map
+++ /dev/null
@@ -1,132657 +0,0 @@
-GRID_PARAMETER_FILE protein.gpf
-GRID_DATA_FILE protein.maps.fld
-MACROMOLECULE protein.pdbqt
-SPACING 0.375
-NELEMENTS 50 50 50
-CENTER 83.461 98.522 -16.407
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--0.880
--0.921
--0.933
--0.905
--0.843
--0.687
--0.443
--0.157
-0.029
-0.001
--0.166
--0.348
--0.490
--0.588
--0.655
--0.690
--0.708
--0.713
--0.710
--0.704
--0.693
--0.682
--0.678
--0.683
--0.703
--0.726
--0.751
--0.766
--0.773
--0.768
--0.753
--0.731
--0.700
--0.661
--0.630
--0.574
--0.574
--0.656
--0.744
--0.772
--0.718
--0.557
--0.286
-0.054
-0.326
-0.370
-0.190
--0.086
--0.347
--0.563
--0.711
--0.797
--0.840
--0.859
--0.856
--0.844
--0.807
--0.684
--0.470
--0.316
--0.288
--0.361
--0.455
--0.542
--0.603
--0.640
--0.655
--0.646
--0.625
--0.604
--0.585
--0.573
--0.563
--0.572
--0.601
--0.651
--0.704
--0.752
--0.783
--0.793
--0.785
--0.766
--0.735
--0.688
--0.620
--0.701
--0.654
--0.641
--0.680
--0.731
--0.746
--0.705
--0.588
--0.401
--0.165
-0.035
-0.138
-0.103
--0.076
--0.318
--0.518
--0.655
--0.743
--0.788
--0.812
--0.830
--0.865
--0.937
--0.892
--0.681
--0.529
--0.478
--0.494
--0.539
--0.584
--0.616
--0.631
--0.617
--0.574
--0.504
--0.460
--0.454
--0.450
--0.445
--0.464
--0.514
--0.587
--0.670
--0.742
--0.782
--0.799
--0.793
--0.769
--0.732
--0.672
--0.573
--0.734
--0.705
--0.679
--0.691
--0.731
--0.740
--0.706
--0.624
--0.495
--0.332
--0.169
--0.031
-0.020
--0.101
--0.315
--0.500
--0.627
--0.705
--0.749
--0.775
--0.796
--0.837
--0.899
--0.879
--0.736
--0.624
--0.580
--0.577
--0.595
--0.616
--0.629
--0.624
--0.583
--0.473
--0.245
--0.175
--0.283
--0.334
--0.329
--0.353
--0.431
--0.525
--0.639
--0.735
--0.786
--0.806
--0.801
--0.777
--0.735
--0.657
--0.533
--0.755
--0.733
--0.706
--0.709
--0.738
--0.741
--0.712
--0.652
--0.562
--0.445
--0.321
--0.204
--0.146
--0.218
--0.373
--0.514
--0.616
--0.682
--0.721
--0.744
--0.758
--0.772
--0.782
--0.757
--0.702
--0.651
--0.627
--0.623
--0.630
--0.639
--0.640
--0.623
--0.567
--0.396
--0.100
-0.031
--0.133
--0.251
--0.206
--0.237
--0.385
--0.519
--0.644
--0.742
--0.798
--0.819
--0.817
--0.798
--0.754
--0.669
--0.524
--0.772
--0.760
--0.751
--0.750
--0.757
--0.749
--0.720
--0.673
--0.605
--0.524
--0.439
--0.363
--0.331
--0.368
--0.457
--0.549
--0.622
--0.672
--0.704
--0.722
--0.729
--0.729
--0.720
--0.699
--0.677
--0.660
--0.651
--0.649
--0.654
--0.657
--0.654
--0.634
--0.583
--0.452
--0.214
--0.136
--0.240
--0.274
--0.191
--0.221
--0.407
--0.564
--0.682
--0.766
--0.819
--0.840
--0.845
--0.831
--0.795
--0.718
--0.565
--0.793
--0.787
--0.782
--0.779
--0.772
--0.756
--0.731
--0.691
--0.641
--0.583
--0.526
--0.482
--0.466
--0.485
--0.531
--0.587
--0.634
--0.670
--0.694
--0.707
--0.712
--0.709
--0.698
--0.685
--0.673
--0.666
--0.664
--0.665
--0.670
--0.672
--0.668
--0.654
--0.618
--0.554
--0.466
--0.414
--0.416
--0.397
--0.357
--0.390
--0.508
--0.628
--0.725
--0.793
--0.840
--0.865
--0.876
--0.881
--0.865
--0.809
--0.687
diff --git a/example/hydrated_docking/protein.glg b/example/hydrated_docking/protein.glg
deleted file mode 100644
index 07c8f76c..00000000
--- a/example/hydrated_docking/protein.glg
+++ /dev/null
@@ -1,11367 +0,0 @@
-
-       _______________________________________________________
-
-__________//____________________________/////_________________/________
-_________/__/____________/_____________/______________/_______/________
-________/____/___________/_____________/______________________/________
-________/____/__/_____/_/////___/////__/__////_/_///__/__////_/________
-_______/______/_/_____/__/_____/_____/_/_____/_//___/_/_/____//________
-_______////////_/_____/__/_____/_____/_/_____/_/______/_/_____/________
-_______/______/_/____//__/___/_/_____/_/_____/_/______/_/____//________
-_______/______/__////_/___///___/////___/////__/______/__////_/________
-
-       _______________________________________________________
-
-                                ______
-                               /      \
-                              /        \
-                             /          \
-                             \    /\    /
-                              \  /  \  /
-                               \/ /\ \/
-                                 /  \
-                                /____\
-
-
-                ______________________________________ 
-               |                                      |
-               |            AutoGrid 4.2.3            |
-               |                                      |
-               |        Garrett M. Morris, TSRI       |
-               |            Ruth Huey, TSRI           |
-               |        David S. Goodsell, TSRI       |
-               |         Arthur J. Olson, TSRI        |
-               |                                      |
-               |        (C) 1989-2009, TSRI           |
-               |   The Scripps Research Institute     |
-               |______________________________________|
-
-                ______________________________________ 
-               |                                      |
-               | Calculation of van der Waals, H-Bond,|
-               |   Electrostatic Potential Energy, &  |
-               |   Desolvation Free Energy Grid Maps  |
-               |             for AutoDock             |
-               | For help, email autodock@scripps.edu |
-               |______________________________________|
-
-
-
-
-                           $Revision: 1.72 $
-
-
-
-Maximum number of maps that can be computed = 16 (defined by MAX_MAPS in "autocomm.h").
-
-
-This file was created at:			4:33 54" p.m., 01/26/2012
-                   using:			"atara"
-
-
-Setting up parameter library with AutoDock default Unbound_Same_As_Bound values.
-
-
-Free energy coefficient for the van der Waals term = 	0.1662
-
-Free energy coefficient for the H-bonding term     = 	0.1209
-
-Free energy coefficient for the electrostatic term = 	0.1406
-
-Free energy coefficient for the desolvation term   = 	0.1322
-
-Free energy coefficient for the torsional term     = 	0.2983
-
-Parameters for the atom type "H" were initialised with the following default values:
-
-	R-eqm = 2.00 Angstrom,  weighted epsilon = 0.003,
-	At.frag.vol. = 0.000,  At.solv.par. = 0.001,
-	Hb R-eqm = 0.000,  weighted Hb epsilon = 0.000,
-	Hb type = 0,  bond index = 3
-
-Parameters for the atom type "HD" were initialised with the following default values:
-
-	R-eqm = 2.00 Angstrom,  weighted epsilon = 0.003,
-	At.frag.vol. = 0.000,  At.solv.par. = 0.001,
-	Hb R-eqm = 0.000,  weighted Hb epsilon = 0.000,
-	Hb type = 2,  bond index = 3
-
-Parameters for the atom type "HS" were initialised with the following default values:
-
-	R-eqm = 2.00 Angstrom,  weighted epsilon = 0.003,
-	At.frag.vol. = 0.000,  At.solv.par. = 0.001,
-	Hb R-eqm = 0.000,  weighted Hb epsilon = 0.000,
-	Hb type = 1,  bond index = 3
-
-Parameters for the atom type "C" were initialised with the following default values:
-
-	R-eqm = 4.00 Angstrom,  weighted epsilon = 0.025,
-	At.frag.vol. = 33.510,  At.solv.par. = -0.001,
-	Hb R-eqm = 0.000,  weighted Hb epsilon = 0.000,
-	Hb type = 0,  bond index = 0
-
-Parameters for the atom type "A" were initialised with the following default values:
-
-	R-eqm = 4.00 Angstrom,  weighted epsilon = 0.025,
-	At.frag.vol. = 33.510,  At.solv.par. = -0.001,
-	Hb R-eqm = 0.000,  weighted Hb epsilon = 0.000,
-	Hb type = 0,  bond index = 0
-
-Parameters for the atom type "N" were initialised with the following default values:
-
-	R-eqm = 3.50 Angstrom,  weighted epsilon = 0.027,
-	At.frag.vol. = 22.449,  At.solv.par. = -0.002,
-	Hb R-eqm = 0.000,  weighted Hb epsilon = 0.000,
-	Hb type = 0,  bond index = 1
-
-Parameters for the atom type "NA" were initialised with the following default values:
-
-	R-eqm = 3.50 Angstrom,  weighted epsilon = 0.027,
-	At.frag.vol. = 22.449,  At.solv.par. = -0.002,
-	Hb R-eqm = 1.900,  weighted Hb epsilon = 0.604,
-	Hb type = 4,  bond index = 1
-
-Parameters for the atom type "NS" were initialised with the following default values:
-
-	R-eqm = 3.50 Angstrom,  weighted epsilon = 0.027,
-	At.frag.vol. = 22.449,  At.solv.par. = -0.002,
-	Hb R-eqm = 1.900,  weighted Hb epsilon = 0.604,
-	Hb type = 3,  bond index = 1
-
-Parameters for the atom type "OA" were initialised with the following default values:
-
-	R-eqm = 3.20 Angstrom,  weighted epsilon = 0.033,
-	At.frag.vol. = 17.157,  At.solv.par. = -0.003,
-	Hb R-eqm = 1.900,  weighted Hb epsilon = 0.604,
-	Hb type = 5,  bond index = 2
-
-Parameters for the atom type "OS" were initialised with the following default values:
-
-	R-eqm = 3.20 Angstrom,  weighted epsilon = 0.033,
-	At.frag.vol. = 17.157,  At.solv.par. = -0.003,
-	Hb R-eqm = 1.900,  weighted Hb epsilon = 0.604,
-	Hb type = 3,  bond index = 2
-
-Parameters for the atom type "F" were initialised with the following default values:
-
-	R-eqm = 3.09 Angstrom,  weighted epsilon = 0.013,
-	At.frag.vol. = 15.448,  At.solv.par. = -0.001,
-	Hb R-eqm = 0.000,  weighted Hb epsilon = 0.000,
-	Hb type = 0,  bond index = 4
-
-Parameters for the atom type "Mg" were initialised with the following default values:
-
-	R-eqm = 1.30 Angstrom,  weighted epsilon = 0.145,
-	At.frag.vol. = 1.560,  At.solv.par. = -0.001,
-	Hb R-eqm = 0.000,  weighted Hb epsilon = 0.000,
-	Hb type = 0,  bond index = 4
-
-Parameters for the atom type "MG" were initialised with the following default values:
-
-	R-eqm = 1.30 Angstrom,  weighted epsilon = 0.145,
-	At.frag.vol. = 1.560,  At.solv.par. = -0.001,
-	Hb R-eqm = 0.000,  weighted Hb epsilon = 0.000,
-	Hb type = 0,  bond index = 4
-
-Parameters for the atom type "P" were initialised with the following default values:
-
-	R-eqm = 4.20 Angstrom,  weighted epsilon = 0.033,
-	At.frag.vol. = 38.792,  At.solv.par. = -0.001,
-	Hb R-eqm = 0.000,  weighted Hb epsilon = 0.000,
-	Hb type = 0,  bond index = 5
-
-Parameters for the atom type "SA" were initialised with the following default values:
-
-	R-eqm = 4.00 Angstrom,  weighted epsilon = 0.033,
-	At.frag.vol. = 33.510,  At.solv.par. = -0.002,
-	Hb R-eqm = 2.500,  weighted Hb epsilon = 0.121,
-	Hb type = 5,  bond index = 6
-
-Parameters for the atom type "S" were initialised with the following default values:
-
-	R-eqm = 4.00 Angstrom,  weighted epsilon = 0.033,
-	At.frag.vol. = 33.510,  At.solv.par. = -0.002,
-	Hb R-eqm = 0.000,  weighted Hb epsilon = 0.000,
-	Hb type = 0,  bond index = 6
-
-Parameters for the atom type "Cl" were initialised with the following default values:
-
-	R-eqm = 4.09 Angstrom,  weighted epsilon = 0.046,
-	At.frag.vol. = 35.824,  At.solv.par. = -0.001,
-	Hb R-eqm = 0.000,  weighted Hb epsilon = 0.000,
-	Hb type = 0,  bond index = 4
-
-Parameters for the atom type "CL" were initialised with the following default values:
-
-	R-eqm = 4.09 Angstrom,  weighted epsilon = 0.046,
-	At.frag.vol. = 35.824,  At.solv.par. = -0.001,
-	Hb R-eqm = 0.000,  weighted Hb epsilon = 0.000,
-	Hb type = 0,  bond index = 4
-
-Parameters for the atom type "Ca" were initialised with the following default values:
-
-	R-eqm = 1.98 Angstrom,  weighted epsilon = 0.091,
-	At.frag.vol. = 2.770,  At.solv.par. = -0.001,
-	Hb R-eqm = 0.000,  weighted Hb epsilon = 0.000,
-	Hb type = 0,  bond index = 4
-
-Parameters for the atom type "CA" were initialised with the following default values:
-
-	R-eqm = 1.98 Angstrom,  weighted epsilon = 0.091,
-	At.frag.vol. = 2.770,  At.solv.par. = -0.001,
-	Hb R-eqm = 0.000,  weighted Hb epsilon = 0.000,
-	Hb type = 0,  bond index = 4
-
-Parameters for the atom type "Mn" were initialised with the following default values:
-
-	R-eqm = 1.30 Angstrom,  weighted epsilon = 0.145,
-	At.frag.vol. = 2.140,  At.solv.par. = -0.001,
-	Hb R-eqm = 0.000,  weighted Hb epsilon = 0.000,
-	Hb type = 0,  bond index = 4
-
-Parameters for the atom type "MN" were initialised with the following default values:
-
-	R-eqm = 1.30 Angstrom,  weighted epsilon = 0.145,
-	At.frag.vol. = 2.140,  At.solv.par. = -0.001,
-	Hb R-eqm = 0.000,  weighted Hb epsilon = 0.000,
-	Hb type = 0,  bond index = 4
-
-Parameters for the atom type "Fe" were initialised with the following default values:
-
-	R-eqm = 1.30 Angstrom,  weighted epsilon = 0.002,
-	At.frag.vol. = 1.840,  At.solv.par. = -0.001,
-	Hb R-eqm = 0.000,  weighted Hb epsilon = 0.000,
-	Hb type = 0,  bond index = 4
-
-Parameters for the atom type "FE" were initialised with the following default values:
-
-	R-eqm = 1.30 Angstrom,  weighted epsilon = 0.002,
-	At.frag.vol. = 1.840,  At.solv.par. = -0.001,
-	Hb R-eqm = 0.000,  weighted Hb epsilon = 0.000,
-	Hb type = 0,  bond index = 4
-
-Parameters for the atom type "Zn" were initialised with the following default values:
-
-	R-eqm = 1.48 Angstrom,  weighted epsilon = 0.091,
-	At.frag.vol. = 1.700,  At.solv.par. = -0.001,
-	Hb R-eqm = 0.000,  weighted Hb epsilon = 0.000,
-	Hb type = 0,  bond index = 4
-
-Parameters for the atom type "ZN" were initialised with the following default values:
-
-	R-eqm = 1.48 Angstrom,  weighted epsilon = 0.091,
-	At.frag.vol. = 1.700,  At.solv.par. = -0.001,
-	Hb R-eqm = 0.000,  weighted Hb epsilon = 0.000,
-	Hb type = 0,  bond index = 4
-
-Parameters for the atom type "Br" were initialised with the following default values:
-
-	R-eqm = 4.33 Angstrom,  weighted epsilon = 0.065,
-	At.frag.vol. = 42.566,  At.solv.par. = -0.001,
-	Hb R-eqm = 0.000,  weighted Hb epsilon = 0.000,
-	Hb type = 0,  bond index = 4
-
-Parameters for the atom type "BR" were initialised with the following default values:
-
-	R-eqm = 4.33 Angstrom,  weighted epsilon = 0.065,
-	At.frag.vol. = 42.566,  At.solv.par. = -0.001,
-	Hb R-eqm = 0.000,  weighted Hb epsilon = 0.000,
-	Hb type = 0,  bond index = 4
-
-Parameters for the atom type "I" were initialised with the following default values:
-
-	R-eqm = 4.72 Angstrom,  weighted epsilon = 0.091,
-	At.frag.vol. = 55.059,  At.solv.par. = -0.001,
-	Hb R-eqm = 0.000,  weighted Hb epsilon = 0.000,
-	Hb type = 0,  bond index = 4
-
-Parameters for the atom type "Z" were initialised with the following default values:
-
-	R-eqm = 4.00 Angstrom,  weighted epsilon = 0.025,
-	At.frag.vol. = 33.510,  At.solv.par. = -0.001,
-	Hb R-eqm = 0.000,  weighted Hb epsilon = 0.000,
-	Hb type = 0,  bond index = 0
-
-Parameters for the atom type "G" were initialised with the following default values:
-
-	R-eqm = 4.00 Angstrom,  weighted epsilon = 0.025,
-	At.frag.vol. = 33.510,  At.solv.par. = -0.001,
-	Hb R-eqm = 0.000,  weighted Hb epsilon = 0.000,
-	Hb type = 0,  bond index = 0
-
-Parameters for the atom type "GA" were initialised with the following default values:
-
-	R-eqm = 4.00 Angstrom,  weighted epsilon = 0.025,
-	At.frag.vol. = 33.510,  At.solv.par. = -0.001,
-	Hb R-eqm = 0.000,  weighted Hb epsilon = 0.000,
-	Hb type = 0,  bond index = 0
-
-Parameters for the atom type "J" were initialised with the following default values:
-
-	R-eqm = 4.00 Angstrom,  weighted epsilon = 0.025,
-	At.frag.vol. = 33.510,  At.solv.par. = -0.001,
-	Hb R-eqm = 0.000,  weighted Hb epsilon = 0.000,
-	Hb type = 0,  bond index = 0
-
-Parameters for the atom type "Q" were initialised with the following default values:
-
-	R-eqm = 4.00 Angstrom,  weighted epsilon = 0.025,
-	At.frag.vol. = 33.510,  At.solv.par. = -0.001,
-	Hb R-eqm = 0.000,  weighted Hb epsilon = 0.000,
-	Hb type = 0,  bond index = 0
-
-GPF> npts 50 50 50                        # num.grid points in xyz
-
-Number of grid points in x-direction:	51
-Number of grid points in y-direction:	51
-Number of grid points in z-direction:	51
-
-GPF> gridfld protein.maps.fld             # grid_data_file
-
-Creating (AVS-readable) grid maps file : protein.maps.fld
-
-Creating (AVS-readable) grid-coordinates extrema file : protein.maps.xyz
-
-GPF> spacing 0.375                        # spacing(A)
-Grid Spacing :			0.375 Angstrom
-
-GPF> receptor_types A C HD N OA SA        # receptor atom types
-GPF> ligand_types A C N NA HD OA          # ligand atom types; OA is not present in the ligand types but it has been added
-
-Atom type names for ligand atom types 1-6 used for ligand-atom affinity grid maps:
-
-			Atom type number 0 corresponds to atom type name "A".
-			Atom type number 1 corresponds to atom type name "C".
-			Atom type number 2 corresponds to atom type name "N".
-			Atom type number 3 corresponds to atom type name "NA".
-			Atom type number 4 corresponds to atom type name "HD".
-			Atom type number 5 corresponds to atom type name "OA".
-
-
-GPF> receptor protein.pdbqt               # macromolecule
-
-Receptor Input File :	protein.pdbqt
-
-Receptor Atom Type Assignments:
-
-Atom no.  1, " N  " at (56.525, 102.424, -21.123), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no.  2, " HN1" at (56.418, 102.754, -22.082), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no.  3, " HN2" at (55.668, 102.605, -20.601), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no.  4, " HN3" at (56.539, 101.404, -21.111), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no.  5, " CA " at (57.697, 102.950, -20.361), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no.  6, " C  " at (57.859, 102.450, -18.907), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no.  7, " O  " at (56.960, 102.523, -18.080), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no.  8, " CB " at (57.776, 104.492, -20.438), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no.  9, " CG " at (58.012, 105.204, -19.110), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 10, " CD " at (58.814, 106.486, -19.262), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 11, " OE1" at (58.178, 107.577, -19.436), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 12, " OE2" at (60.077, 106.397, -19.211), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 13, " N  " at (59.037, 101.927, -18.631), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 14, " HN " at (59.676, 101.740, -19.404), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 15, " CA " at (59.474, 101.603, -17.284), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 16, " C  " at (60.579, 102.584, -16.954), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 17, " O  " at (61.337, 102.955, -17.825), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 18, " CB " at (60.082, 100.203, -17.243), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 19, " CG " at (59.181, 99.128, -17.782), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 20, " CD1" at (58.074, 98.678, -17.044), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 21, " CD2" at (59.442, 98.557, -19.026), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 22, " CE1" at (57.241, 97.669, -17.536), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 23, " CE2" at (58.620, 97.544, -19.535), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 24, " CZ " at (57.518, 97.097, -18.786), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 25, " N  " at (60.694, 102.993, -15.703), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 26, " HN " at (59.946, 102.825, -15.030), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 27, " CA " at (61.906, 103.686, -15.305), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 28, " C  " at (62.894, 102.704, -14.654), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 29, " O  " at (62.609, 101.500, -14.490), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 30, " CB " at (61.609, 104.909, -14.410), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 31, " CG " at (60.949, 104.548, -13.095), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 32, " OD1" at (61.071, 103.390, -12.626), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 33, " OD2" at (60.280, 105.382, -12.450), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 34, " N  " at (64.047, 103.223, -14.266), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 35, " HN " at (64.207, 104.226, -14.361), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 36, " CA " at (65.092, 102.374, -13.704), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 37, " C  " at (64.614, 101.626, -12.479), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 38, " O  " at (64.905, 100.447, -12.328), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 39, " CB " at (66.344, 103.175, -13.360), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 40, " CG " at (67.296, 103.285, -14.513), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 41, " CD " at (68.306, 104.458, -14.398), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 42, " NE " at (69.156, 104.515, -15.581), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 43, " HE " at (69.932, 103.855, -15.639), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 44, " CZ " at (68.993, 105.363, -16.586), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 45, " NH1" at (68.028, 106.299, -16.568), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 46, "1HH1" at (67.391, 106.345, -15.772), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 47, "2HH1" at (67.903, 106.952, -17.342), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 48, " NH2" at (69.818, 105.303, -17.617), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 49, "1HH2" at (70.550, 104.593, -17.631), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 50, "2HH2" at (69.693, 105.956, -18.391), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 51, " N  " at (63.891, 102.331, -11.615), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 52, " HN " at (63.740, 103.323, -11.798), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 53, " CA " at (63.304, 101.742, -10.415), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 54, " C  " at (62.413, 100.541, -10.738), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 55, " O  " at (62.511, 99.524, -10.070), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 56, " CB " at (62.527, 102.796, -9.604), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 57, " N  " at (61.553, 100.674, -11.753), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 58, " HN " at (61.505, 101.570, -12.238), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 59, " CA " at (60.668, 99.578, -12.203), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 60, " C  " at (61.483, 98.384, -12.728), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 61, " O  " at (61.243, 97.225, -12.345), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 62, " CB " at (59.714, 100.074, -13.290), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 63, " CG " at (58.764, 101.159, -12.799), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 64, " OD1" at (58.457, 101.194, -11.588), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 65, " OD2" at (58.254, 102.031, -13.551), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 66, " N  " at (62.451, 98.676, -13.591), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 67, " HN " at (62.608, 99.648, -13.857), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 68, " CA " at (63.292, 97.633, -14.165), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 69, " C  " at (63.957, 96.836, -13.057), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 70, " O  " at (63.845, 95.598, -13.011), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 71, " CB " at (64.339, 98.205, -15.178), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 72, " CG1" at (63.621, 98.791, -16.395), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 73, " CG2" at (65.310, 97.117, -15.660), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 74, " CD1" at (64.451, 99.794, -17.153), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 75, " N  " at (64.579, 97.557, -12.129), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 76, " HN " at (64.550, 98.575, -12.185), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 77, " CA " at (65.300, 96.922, -11.035), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 78, " C  " at (64.401, 96.164, -10.067), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 79, " O  " at (64.748, 95.092, -9.625), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 80, " CB " at (66.216, 97.918, -10.306), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 81, " CG " at (67.411, 98.295, -11.163), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 82, " CD1" at (67.964, 99.697, -10.811), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 83, " CD2" at (68.474, 97.221, -11.020), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 84, " N  " at (63.242, 96.724, -9.763), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 85, " HN " at (63.037, 97.664, -10.101), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 86, " CA " at (62.260, 96.029, -8.961), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 87, " C  " at (61.869, 94.695, -9.628), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 88, " O  " at (61.911, 93.607, -9.002), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 89, " CB " at (61.030, 96.919, -8.784), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 90, " CG " at (59.891, 96.309, -7.997), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 91, " CD1" at (60.006, 96.083, -6.624), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 92, " CD2" at (58.684, 95.979, -8.623), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 93, " CE1" at (58.944, 95.531, -5.893), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 94, " CE2" at (57.613, 95.432, -7.895), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 95, " CZ " at (57.756, 95.209, -6.538), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 96, " OH " at (56.716, 94.671, -5.820), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 97, " HH " at (56.814, 94.518, -4.888), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 98, " N  " at (61.502, 94.771, -10.905), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 99, " HN " at (61.543, 95.668, -11.390), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 100, " CA " at (61.045, 93.595, -11.613), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 101, " C  " at (62.101, 92.492, -11.655), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 102, " O  " at (61.767, 91.331, -11.525), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 103, " CB " at (60.556, 93.953, -12.994), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 104, " CG " at (59.246, 94.729, -12.961), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 105, " ND2" at (58.880, 95.281, -14.095), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 106, "1HD2" at (58.003, 95.801, -14.073), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 107, "2HD2" at (59.425, 95.187, -14.952), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 108, " OD1" at (58.586, 94.843, -11.923), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 109, " N  " at (63.363, 92.884, -11.824), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 110, " HN " at (63.556, 93.878, -11.948), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 111, " CA " at (64.480, 91.943, -11.838), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 112, " C  " at (64.675, 91.375, -10.442), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 113, " O  " at (64.773, 90.169, -10.278), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 114, " CB " at (65.781, 92.627, -12.333), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 115, " CG1" at (65.762, 92.788, -13.850), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 116, " CG2" at (67.044, 91.821, -11.894), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 117, " CD1" at (66.843, 93.669, -14.387), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 118, " N  " at (64.702, 92.232, -9.435), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 119, " HN " at (64.622, 93.235, -9.602), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 120, " CA " at (64.848, 91.713, -8.088), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 121, " C  " at (63.716, 90.723, -7.761), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 122, " O  " at (63.953, 89.649, -7.236), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 123, " CB " at (64.927, 92.827, -7.053), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 124, " CG " at (65.217, 92.274, -5.642), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 125, " CD " at (65.276, 93.316, -4.501), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 126, " NE " at (66.665, 93.461, -4.074), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 127, " HE " at (67.324, 93.839, -4.755), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 128, " CZ " at (67.146, 93.144, -2.876), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 129, " NH1" at (66.347, 92.664, -1.912), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 130, "1HH1" at (66.716, 92.421, -0.993), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 131, "2HH1" at (65.351, 92.527, -2.083), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 132, " NH2" at (68.445, 93.322, -2.653), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 133, "1HH2" at (68.814, 93.079, -1.734), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 134, "2HH2" at (69.053, 93.687, -3.386), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 135, " N  " at (62.487, 91.086, -8.107), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 136, " HN " at (62.346, 91.980, -8.578), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 137, " CA " at (61.336, 90.240, -7.831), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 138, " C  " at (61.369, 88.901, -8.595), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 139, " O  " at (60.798, 87.940, -8.131), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 140, " CB " at (60.033, 91.014, -8.102), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 141, " CG " at (59.793, 92.143, -7.138), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 142, " CD " at (59.680, 91.629, -5.704), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 143, " NE2" at (60.713, 91.824, -4.910), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 144, "1HE2" at (60.638, 91.481, -3.952), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 145, "2HE2" at (61.554, 92.318, -5.209), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 146, " OE1" at (58.664, 91.032, -5.343), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 147, " N  " at (62.034, 88.825, -9.753), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 148, " HN " at (62.645, 89.587, -10.046), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 149, " CA " at (61.875, 87.622, -10.607), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 150, " C  " at (63.152, 86.920, -11.121), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 151, " O  " at (63.076, 85.937, -11.877), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 152, " CB " at (61.017, 87.946, -11.836), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 153, " CG2" at (59.665, 88.556, -11.458), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 154, " OG1" at (61.682, 88.963, -12.598), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 155, " HG1" at (61.150, 89.164, -13.359), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 156, " N  " at (64.313, 87.470, -10.789), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 157, " HN " at (64.324, 88.375, -10.319), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 158, " CA " at (65.566, 86.803, -11.085), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 159, " C  " at (65.537, 85.566, -10.174), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 160, " O  " at (65.160, 85.637, -8.961), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 161, " CB " at (66.754, 87.687, -10.693), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 162, " OG " at (66.628, 87.986, -9.278), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 163, " HG " at (67.365, 88.534, -9.035), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 164, " N  " at (65.881, 84.432, -10.761), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 165, " HN " at (65.976, 84.390, -11.776), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 166, " CA " at (66.124, 83.245, -9.958), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 167, " C  " at (67.628, 83.025, -9.995), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 168, " O  " at (68.135, 82.371, -10.917), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 169, " CB " at (65.392, 82.073, -10.583), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 170, " CG " at (63.908, 82.261, -10.602), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 171, " CD " at (63.249, 81.722, -9.356), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 172, " NE " at (63.866, 80.443, -8.979), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 173, " HE " at (64.812, 80.474, -8.598), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 174, " CZ " at (63.293, 79.245, -9.093), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 175, " NH1" at (62.055, 79.128, -9.533), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 176, "1HH1" at (61.617, 78.211, -9.620), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 177, "2HH1" at (61.537, 79.961, -9.813), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 178, " NH2" at (63.964, 78.167, -8.731), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 179, "1HH2" at (63.526, 77.250, -8.818), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 180, "2HH2" at (64.921, 78.257, -8.391), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 181, " N  " at (68.342, 83.610, -9.040), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 182, " CA " at (69.821, 83.614, -9.049), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 183, " C  " at (70.508, 82.243, -8.973), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 184, " O  " at (71.710, 82.094, -9.372), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 185, " CB " at (70.201, 84.419, -7.795), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 186, " CG " at (68.938, 84.520, -6.937), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 187, " CD " at (67.768, 84.332, -7.881), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 188, " N  " at (69.783, 81.261, -8.459), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 189, " HN " at (68.848, 81.458, -8.103), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 190, " CA " at (70.305, 79.906, -8.396), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 191, " C  " at (69.873, 79.070, -9.590), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 192, " O  " at (70.133, 77.848, -9.630), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 193, " CB " at (69.886, 79.275, -7.068), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 194, " CG " at (70.362, 80.117, -5.835), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 195, " OD1" at (71.528, 80.654, -5.797), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 196, " OD2" at (69.612, 80.321, -4.858), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 197, " N  " at (69.230, 79.707, -10.572), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 198, " HN " at (69.066, 80.711, -10.497), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 199, " CA " at (68.755, 78.982, -11.759), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 200, " C  " at (69.546, 79.353, -13.034), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 201, " O  " at (69.425, 80.460, -13.542), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 202, " CB " at (67.224, 79.150, -11.990), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 203, " CG1" at (66.746, 78.340, -13.214), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 204, " CG2" at (66.458, 78.731, -10.770), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 205, " N  " at (70.318, 78.400, -13.556), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 206, " HN " at (70.399, 77.507, -13.069), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 207, " CA " at (71.050, 78.594, -14.801), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 208, " C  " at (70.059, 78.858, -15.942), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 209, " O  " at (69.117, 78.078, -16.097), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 210, " CB " at (71.995, 77.415, -15.104), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 211, " CG1" at (72.804, 77.658, -16.386), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 212, " CG2" at (71.251, 76.075, -15.111), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 213, " CD1" at (73.822, 76.587, -16.643), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 214, " N  " at (70.246, 79.954, -16.691), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 215, " CA " at (69.276, 80.399, -17.713), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 216, " C  " at (69.367, 79.616, -19.005), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 217, " O  " at (69.561, 80.153, -20.101), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 218, " CB " at (69.649, 81.870, -17.946), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 219, " CG " at (71.141, 81.938, -17.647), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 220, " CD " at (71.376, 80.902, -16.564), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 221, " N  " at (69.235, 78.317, -18.858), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 222, " HN " at (69.089, 77.942, -17.921), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 223, " CA " at (69.289, 77.403, -19.970), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 224, " C  " at (68.006, 77.597, -20.815), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 225, " O  " at (66.939, 77.786, -20.271), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 226, " CB " at (69.410, 75.976, -19.394), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 227, " CG2" at (68.506, 75.006, -20.110), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 228, " OG1" at (70.728, 75.451, -19.657), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 229, " HG1" at (71.298, 76.063, -19.206), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 230, " N  " at (68.110, 77.588, -22.131), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 231, " HN " at (69.033, 77.513, -22.558), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 232, " CA " at (66.935, 77.683, -22.988), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 233, " C  " at (66.939, 76.443, -23.874), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 234, " O  " at (67.881, 76.247, -24.641), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 235, " CB " at (67.012, 78.943, -23.873), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 236, " CG " at (66.432, 80.269, -23.280), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 237, " CD " at (66.396, 81.445, -24.316), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 238, " NE2" at (67.578, 81.879, -24.771), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 239, "1HE2" at (68.463, 81.475, -24.465), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 240, "2HE2" at (67.555, 82.644, -25.445), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 241, " OE1" at (65.317, 81.937, -24.689), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 242, " N  " at (65.912, 75.599, -23.743), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 243, " HN " at (65.252, 75.767, -22.984), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 244, " CA " at (65.667, 74.432, -24.628), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 245, " C  " at (66.825, 73.403, -24.689), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 246, " O  " at (67.215, 72.929, -25.783), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 247, " CB " at (65.236, 74.890, -26.035), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 248, " CG " at (63.766, 74.544, -26.400), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 249, " CD " at (62.956, 75.668, -27.090), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 250, " NE " at (63.323, 77.008, -26.617), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 251, " HE " at (64.028, 77.066, -25.882), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 252, " CZ " at (62.812, 78.161, -27.067), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 253, " NH1" at (61.862, 78.163, -28.015), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 254, "1HH1" at (61.524, 77.285, -28.408), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 255, "2HH1" at (61.473, 79.041, -28.358), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 256, " NH2" at (63.257, 79.317, -26.550), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 257, "1HH2" at (63.979, 79.315, -25.830), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 258, "2HH2" at (62.868, 80.195, -26.893), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 259, " N  " at (67.358, 73.078, -23.502), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 260, " HN " at (66.967, 73.512, -22.666), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 261, " CA " at (68.478, 72.129, -23.332), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 262, " C  " at (69.772, 72.471, -24.115), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 263, " O  " at (70.508, 71.582, -24.572), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 264, " CB " at (68.015, 70.678, -23.574), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 265, " CG " at (66.943, 70.231, -22.570), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 266, " OD1" at (67.302, 69.868, -21.414), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 267, " OD2" at (65.713, 70.228, -22.844), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 268, " N  " at (70.041, 73.772, -24.248), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 269, " HN " at (69.378, 74.451, -23.875), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 270, " CA " at (71.245, 74.256, -24.906), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 271, " C  " at (72.118, 74.720, -23.782), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 272, " O  " at (71.601, 75.151, -22.760), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 273, " CB " at (70.943, 75.466, -25.794), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 274, " CG " at (70.605, 75.121, -27.239), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 275, " CD " at (71.564, 75.751, -28.271), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 276, " NE " at (71.901, 74.776, -29.311), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 277, " HE " at (72.206, 73.852, -29.005), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 278, " CZ " at (71.841, 74.998, -30.634), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 279, " NH1" at (71.476, 76.187, -31.113), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 280, "1HH1" at (71.226, 76.933, -30.463), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 281, "2HH1" at (71.430, 76.356, -32.118), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 282, " NH2" at (72.166, 74.027, -31.480), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 283, "1HH2" at (72.445, 73.117, -31.113), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 284, "2HH2" at (72.120, 74.196, -32.485), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 285, " N  " at (73.432, 74.655, -23.944), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 286, " CA " at (74.313, 75.250, -22.941), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 287, " C  " at (74.194, 76.782, -22.918), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 288, " O  " at (73.926, 77.363, -23.947), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 289, " CB " at (75.716, 74.804, -23.387), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 290, " CG " at (75.590, 74.411, -24.835), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 291, " CD " at (74.170, 73.970, -25.027), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 292, " N  " at (74.370, 77.400, -21.755), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 293, " HN " at (74.372, 76.848, -20.897), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 294, " CA " at (74.558, 78.827, -21.669), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 295, " C  " at (75.962, 79.112, -22.205), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 296, " O  " at (76.940, 78.619, -21.679), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 297, " CB " at (74.406, 79.333, -20.202), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 298, " CG1" at (74.731, 80.816, -20.092), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 299, " CG2" at (72.986, 79.060, -19.706), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 300, " N  " at (76.043, 79.869, -23.288), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 301, " HN " at (75.187, 80.139, -23.772), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 302, " CA " at (77.331, 80.328, -23.807), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 303, " C  " at (77.866, 81.465, -22.942), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 304, " O  " at (77.221, 82.508, -22.836), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 305, " CB " at (77.211, 80.742, -25.278), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 306, " N  " at (78.997, 81.219, -22.279), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 307, " HN " at (79.403, 80.286, -22.347), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 308, " CA " at (79.686, 82.215, -21.460), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 309, " C  " at (81.004, 82.623, -22.141), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 310, " O  " at (81.811, 81.758, -22.503), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 311, " CB " at (79.976, 81.640, -20.033), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 312, " CG1" at (80.710, 82.643, -19.194), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 313, " CG2" at (78.658, 81.217, -19.325), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 314, " N  " at (81.202, 83.923, -22.373), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 315, " HN " at (80.443, 84.586, -22.215), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 316, " CA " at (82.504, 84.407, -22.854), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 317, " C  " at (83.317, 84.932, -21.692), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 318, " O  " at (82.774, 85.639, -20.842), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 319, " CB " at (82.338, 85.518, -23.879), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 320, " OG " at (81.495, 85.091, -24.930), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 321, " HG " at (81.391, 85.785, -25.570), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 322, " N  " at (84.608, 84.587, -21.666), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 323, " HN " at (84.969, 83.974, -22.397), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 324, " CA " at (85.519, 85.058, -20.626), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 325, " C  " at (86.746, 85.570, -21.298), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 326, " O  " at (87.167, 85.031, -22.316), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 327, " CB " at (86.025, 83.962, -19.665), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 328, " CG1" at (86.415, 84.585, -18.337), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 329, " CG2" at (84.997, 82.892, -19.478), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 330, " N  " at (87.328, 86.603, -20.704), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 331, " HN " at (86.914, 86.969, -19.847), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 332, " CA " at (88.528, 87.235, -21.220), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 333, " C  " at (89.110, 87.952, -20.013), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 334, " O  " at (88.330, 88.576, -19.262), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 335, " CB " at (88.121, 88.243, -22.283), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 336, " OG " at (89.167, 89.140, -22.527), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 337, " HG " at (88.913, 89.770, -23.191), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 338, " N  " at (90.431, 87.814, -19.811), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 339, " HN " at (90.973, 87.261, -20.475), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 340, " CA " at (91.121, 88.423, -18.682), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 341, " C  " at (91.878, 89.612, -19.241), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 342, " O  " at (92.591, 89.483, -20.237), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 343, " CB " at (92.065, 87.430, -17.997), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 344, " CG " at (91.545, 86.072, -17.490), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 345, " CD1" at (92.575, 85.358, -16.638), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 346, " CD2" at (90.254, 86.184, -16.714), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 347, " N  " at (91.682, 90.787, -18.647), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 348, " HN " at (90.958, 90.875, -17.934), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 349, " CA " at (92.484, 91.947, -18.998), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 350, " C  " at (93.423, 92.167, -17.836), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 351, " O  " at (92.998, 92.581, -16.768), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 352, " CB " at (91.622, 93.192, -19.173), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 353, " CG " at (90.328, 92.965, -19.946), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 354, " CD " at (90.618, 92.808, -21.442), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 355, " CE " at (89.375, 92.268, -22.152), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 356, " NZ " at (89.609, 92.014, -23.625), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 357, " HZ1" at (88.780, 91.654, -24.098), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 358, " HZ2" at (90.409, 91.397, -23.768), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 359, " HZ3" at (89.961, 92.851, -24.089), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 360, " N  " at (94.702, 91.885, -18.054), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 361, " HN " at (94.993, 91.559, -18.976), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 362, " CA " at (95.686, 92.031, -17.011), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 363, " C  " at (95.973, 93.489, -16.684), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 364, " O  " at (96.197, 94.310, -17.565), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 365, " CB " at (96.921, 91.242, -17.395), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 366, " CG " at (96.682, 89.754, -17.402), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 367, " CD1" at (96.649, 89.041, -16.221), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 368, " CD2" at (96.443, 89.078, -18.608), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 369, " CE1" at (96.413, 87.636, -16.218), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 370, " CE2" at (96.195, 87.682, -18.620), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 371, " CZ " at (96.187, 86.965, -17.416), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 372, " N  " at (95.930, 93.794, -15.394), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 373, " HN " at (95.712, 93.058, -14.723), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 374, " CA " at (96.185, 95.153, -14.894), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 375, " C  " at (97.565, 95.272, -14.225), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 376, " O  " at (98.230, 96.308, -14.323), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 377, " CB " at (95.054, 95.567, -13.917), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 378, " CG1" at (93.678, 95.230, -14.520), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 379, " CG2" at (95.127, 97.069, -13.556), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 380, " CD1" at (93.362, 95.989, -15.836), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 381, " N  " at (97.968, 94.214, -13.526), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 382, " HN " at (97.397, 93.369, -13.519), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 383, " CA " at (99.214, 94.246, -12.770), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 384, " C  " at (99.719, 92.848, -12.438), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 385, " O  " at (98.945, 91.912, -12.359), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 386, " CB " at (99.088, 95.095, -11.480), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 387, " CG " at (100.262, 96.001, -11.277), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 388, " ND2" at (99.983, 97.226, -10.878), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 389, "1HD2" at (100.783, 97.843, -10.740), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 390, "2HD2" at (99.030, 97.544, -10.700), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 391, " OD1" at (101.416, 95.616, -11.493), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 392, " N  " at (101.030, 92.728, -12.316), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 393, " HN " at (101.623, 93.509, -12.595), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 394, " CA " at (101.654, 91.526, -11.800), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 395, " C  " at (102.428, 92.006, -10.599), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 396, " O  " at (103.343, 92.836, -10.741), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 397, " CB " at (102.557, 90.876, -12.881), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 398, " CG1" at (101.706, 90.449, -14.072), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 399, " CG2" at (103.319, 89.689, -12.289), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 400, " CD1" at (102.455, 90.255, -15.332), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 401, " N  " at (102.028, 91.540, -9.422), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 402, " HN " at (101.398, 90.738, -9.393), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 403, " CA " at (102.471, 92.152, -8.156), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 404, " C  " at (103.660, 91.430, -7.565), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 405, " O  " at (104.528, 92.027, -6.934), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 406, " CB " at (101.318, 92.187, -7.151), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 407, " CG " at (100.142, 92.992, -7.699), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 408, " CD1" at (98.940, 92.873, -6.829), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 409, " CD2" at (100.524, 94.486, -7.880), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 410, " N  " at (103.686, 90.126, -7.755), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 411, " HN " at (102.978, 89.682, -8.339), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 412, " CA " at (104.726, 89.319, -7.131), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 413, " C  " at (104.900, 88.087, -7.970), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 414, " O  " at (103.926, 87.528, -8.468), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 415, " CB " at (104.357, 88.915, -5.685), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 416, " CG " at (105.464, 88.154, -4.973), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 417, " CD " at (105.118, 87.811, -3.524), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 418, " OE1" at (103.916, 87.539, -3.229), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 419, " OE2" at (106.056, 87.832, -2.673), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 420, " N  " at (106.151, 87.683, -8.099), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 421, " HN " at (106.891, 88.203, -7.628), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 422, " CA " at (106.496, 86.535, -8.881), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 423, " C  " at (107.574, 85.812, -8.071), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 424, " O  " at (108.449, 86.434, -7.477), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 425, " CB " at (106.960, 87.000, -10.306), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 426, " CG1" at (107.980, 86.108, -10.895), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 427, " CG2" at (105.777, 87.136, -11.243), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 428, " N  " at (107.488, 84.491, -8.037), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 429, " HN " at (106.714, 84.025, -8.511), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 430, " CA " at (108.470, 83.704, -7.341), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 431, " C  " at (108.892, 82.541, -8.226), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 432, " O  " at (108.133, 81.602, -8.430), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 433, " CB " at (107.921, 83.217, -5.992), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 434, " CG " at (109.014, 82.615, -5.100), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 435, " ND2" at (108.931, 82.872, -3.792), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 436, "1HD2" at (109.658, 82.472, -3.199), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 437, "2HD2" at (108.193, 83.451, -3.391), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 438, " OD1" at (109.907, 81.914, -5.586), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 439, " N  " at (110.118, 82.620, -8.731), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 440, " HN " at (110.714, 83.404, -8.465), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 441, " CA " at (110.632, 81.625, -9.649), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 442, " C  " at (110.989, 80.292, -8.967), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 443, " O  " at (111.029, 79.252, -9.635), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 444, " CB " at (111.825, 82.179, -10.454), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 445, " CG " at (111.859, 81.676, -11.903), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 446, " CD " at (113.039, 82.200, -12.732), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 447, " OE1" at (113.478, 83.360, -12.507), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 448, " OE2" at (113.517, 81.455, -13.632), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 449, " N  " at (111.254, 80.336, -7.655), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 450, " HN " at (111.271, 81.240, -7.184), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 451, " CA " at (111.519, 79.126, -6.878), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 452, " C  " at (110.224, 78.332, -6.677), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 453, " O  " at (110.193, 77.138, -6.984), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 454, " CB " at (112.196, 79.462, -5.483), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 455, " CG1" at (113.474, 80.322, -5.640), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 456, " CG2" at (112.463, 78.189, -4.666), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 457, " CD1" at (114.580, 79.724, -6.529), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 458, " N  " at (109.161, 78.992, -6.191), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 459, " HN " at (109.226, 79.997, -6.029), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 460, " CA " at (107.918, 78.299, -5.891), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 461, " C  " at (106.969, 78.169, -7.063), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 462, " O  " at (105.952, 77.498, -6.953), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 463, " CB " at (107.170, 78.968, -4.724), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 464, " CG2" at (108.074, 79.075, -3.481), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 465, " OG1" at (106.859, 80.319, -5.081), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 466, " HG1" at (106.397, 80.732, -4.361), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 467, " N  " at (107.287, 78.812, -8.178), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 468, " HN " at (108.203, 79.255, -8.248), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 469, " CA " at (106.366, 78.908, -9.314), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 470, " C  " at (104.997, 79.478, -8.962), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 471, " O  " at (103.958, 78.874, -9.241), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 472, " CB " at (106.240, 77.560, -10.053), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 473, " CG " at (107.316, 77.376, -11.128), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 474, " ND2" at (107.791, 76.143, -11.301), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 475, "1HD2" at (107.466, 75.351, -10.747), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 476, "2HD2" at (108.507, 76.020, -12.017), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 477, " OD1" at (107.709, 78.333, -11.798), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 478, " N  " at (104.993, 80.648, -8.343), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 479, " HN " at (105.877, 81.126, -8.168), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 480, " CA " at (103.747, 81.262, -7.909), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 481, " C  " at (103.774, 82.688, -8.425), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 482, " O  " at (104.860, 83.263, -8.510), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 483, " CB " at (103.624, 81.203, -6.361), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 484, " CG " at (103.391, 79.784, -5.817), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 485, " CD " at (103.430, 79.654, -4.288), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 486, " OE1" at (103.174, 80.644, -3.562), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 487, " OE2" at (103.706, 78.534, -3.774), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 488, " N  " at (102.592, 83.230, -8.777), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 489, " HN " at (101.761, 82.640, -8.736), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 490, " CA " at (102.432, 84.611, -9.213), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 491, " C  " at (101.184, 85.220, -8.572), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 492, " O  " at (100.182, 84.533, -8.364), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 493, " CB " at (102.317, 84.751, -10.772), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 494, " CG1" at (103.505, 84.164, -11.462), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 495, " CG2" at (101.055, 84.083, -11.311), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 496, " N  " at (101.265, 86.510, -8.279), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 497, " HN " at (102.146, 86.987, -8.472), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 498, " CA " at (100.177, 87.298, -7.697), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 499, " C  " at (99.769, 88.325, -8.765), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 500, " O  " at (100.588, 89.176, -9.166), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 501, " CB " at (100.736, 88.008, -6.464), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 502, " CG " at (99.688, 88.489, -5.498), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 503, " OD1" at (98.498, 88.595, -5.830), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 504, " OD2" at (100.018, 88.797, -4.327), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 505, " N  " at (98.530, 88.242, -9.251), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 506, " HN " at (97.865, 87.605, -8.814), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 507, " CA " at (98.101, 89.050, -10.405), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 508, " C  " at (96.788, 89.829, -10.172), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 509, " O  " at (95.952, 89.422, -9.362), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 510, " CB " at (97.950, 88.136, -11.664), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 511, " CG1" at (97.523, 88.927, -12.900), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 512, " CG2" at (99.255, 87.495, -11.996), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 513, " N  " at (96.605, 90.936, -10.893), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 514, " HN " at (97.361, 91.272, -11.489), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 515, " CA " at (95.353, 91.675, -10.850), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 516, " C  " at (94.829, 91.700, -12.300), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 517, " O  " at (95.553, 92.104, -13.206), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 518, " CB " at (95.507, 93.136, -10.293), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 519, " CG1" at (94.166, 93.892, -10.350), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 520, " CG2" at (96.035, 93.153, -8.901), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 521, " N  " at (93.593, 91.256, -12.521), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 522, " HN " at (93.032, 90.932, -11.734), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 523, " CA " at (93.027, 91.223, -13.857), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 524, " C  " at (91.545, 91.569, -13.796), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 525, " O  " at (90.872, 91.273, -12.812), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 526, " CB " at (93.236, 89.844, -14.509), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 527, " CG " at (92.794, 88.681, -13.642), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 528, " CD1" at (93.654, 88.122, -12.709), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 529, " CD2" at (91.500, 88.167, -13.748), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 530, " CE1" at (93.218, 87.019, -11.870), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 531, " CE2" at (91.056, 87.065, -12.933), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 532, " CZ " at (91.903, 86.508, -12.019), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 533, " N  " at (91.042, 92.234, -14.841), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 534, " HN " at (91.675, 92.657, -15.520), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 535, " CA " at (89.601, 92.363, -15.022), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 536, " C  " at (89.062, 91.067, -15.678), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 537, " O  " at (89.453, 90.692, -16.786), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 538, " CB " at (89.249, 93.590, -15.854), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 539, " CG " at (89.705, 94.886, -15.258), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 540, " CD1" at (90.144, 95.102, -13.992), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 541, " CD2" at (89.786, 96.146, -15.931), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 542, " CE2" at (90.274, 97.087, -15.012), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 543, " CE3" at (89.506, 96.571, -17.236), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 544, " NE1" at (90.487, 96.429, -13.831), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 545, " HE1" at (90.841, 96.850, -12.972), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 546, " CZ2" at (90.497, 98.423, -15.346), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 547, " CZ3" at (89.709, 97.916, -17.559), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 548, " CH2" at (90.210, 98.816, -16.615), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 549, " N  " at (88.149, 90.384, -15.020), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 550, " HN " at (87.806, 90.714, -14.118), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 551, " CA " at (87.636, 89.148, -15.601), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 552, " C  " at (86.348, 89.422, -16.353), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 553, " O  " at (85.257, 89.356, -15.778), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 554, " CB " at (87.403, 88.125, -14.491), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 555, " CG " at (86.939, 86.736, -14.982), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 556, " CD " at (86.999, 85.708, -13.841), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 557, " NE2" at (85.844, 85.208, -13.411), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 558, "1HE2" at (84.948, 85.453, -13.831), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 559, "2HE2" at (85.884, 84.526, -12.654), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 560, " OE1" at (88.089, 85.410, -13.330), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 561, " N  " at (86.476, 89.771, -17.623), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 562, " HN " at (87.396, 89.730, -18.062), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 563, " CA " at (85.346, 90.206, -18.395), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 564, " C  " at (84.469, 88.995, -18.704), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 565, " O  " at (84.902, 88.050, -19.383), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 566, " CB " at (85.797, 90.889, -19.675), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 567, " CG " at (84.641, 91.253, -20.607), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 568, " CD " at (85.121, 91.911, -21.924), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 569, " NE2" at (84.231, 91.981, -22.901), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 570, "1HE2" at (83.279, 91.625, -22.811), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 571, "2HE2" at (84.547, 92.414, -23.769), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 572, " OE1" at (86.283, 92.346, -22.034), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 573, " N  " at (83.218, 89.046, -18.259), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 574, " HN " at (82.858, 89.912, -17.859), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 575, " CA " at (82.359, 87.878, -18.338), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 576, " C  " at (81.012, 88.227, -18.910), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 577, " O  " at (80.333, 89.132, -18.451), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 578, " CB " at (82.175, 87.230, -16.954), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 579, " CG2" at (81.879, 85.763, -17.102), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 580, " OG1" at (83.435, 87.251, -16.287), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 581, " HG1" at (83.321, 86.851, -15.433), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 582, " N  " at (80.615, 87.458, -19.900), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 583, " HN " at (81.108, 86.585, -20.087), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 584, " CA " at (79.508, 87.827, -20.713), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 585, " C  " at (78.634, 86.615, -20.964), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 586, " O  " at (79.138, 85.534, -21.238), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 587, " CB " at (80.079, 88.444, -22.007), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 588, " CG2" at (79.365, 87.973, -23.249), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 589, " OG1" at (79.906, 89.881, -21.968), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 590, " HG1" at (80.258, 90.261, -22.765), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 591, " N  " at (77.323, 86.809, -20.841), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 592, " HN " at (76.988, 87.717, -20.518), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 593, " CA " at (76.348, 85.767, -21.152), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 594, " C  " at (74.962, 86.366, -21.337), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 595, " O  " at (74.698, 87.519, -21.009), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 596, " CB " at (76.294, 84.681, -20.062), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 597, " CG " at (75.714, 85.160, -18.781), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 598, " CD1" at (74.423, 85.017, -18.363), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 599, " CD2" at (76.394, 85.868, -17.741), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 600, " CE2" at (75.449, 86.103, -16.704), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 601, " CE3" at (77.709, 86.312, -17.559), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 602, " NE1" at (74.256, 85.570, -17.113), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 603, " HE1" at (73.387, 85.581, -16.580), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 604, " CZ2" at (75.771, 86.765, -15.545), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 605, " CZ3" at (78.021, 86.968, -16.380), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 606, " CH2" at (77.065, 87.198, -15.403), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 607, " N  " at (74.064, 85.535, -21.823), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 608, " HN " at (74.344, 84.583, -22.061), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 609, " CA " at (72.692, 85.939, -22.027), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 610, " C  " at (71.712, 85.279, -21.057), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 611, " O  " at (71.792, 84.074, -20.807), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 612, " CB " at (72.322, 85.659, -23.491), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 613, " OG " at (70.972, 85.267, -23.571), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 614, " HG " at (70.743, 85.094, -24.477), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 615, " N  " at (70.796, 86.078, -20.502), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 616, " HN " at (70.833, 87.080, -20.690), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 617, " CA " at (69.733, 85.553, -19.626), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 618, " C  " at (68.405, 86.221, -20.009), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 619, " O  " at (68.110, 87.374, -19.612), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 620, " CB " at (70.072, 85.761, -18.150), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 621, " CG " at (69.050, 85.132, -17.206), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 622, " OD1" at (67.936, 84.795, -17.669), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 623, " OD2" at (69.273, 84.973, -15.975), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 624, " N  " at (67.644, 85.510, -20.830), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 625, " HN " at (67.955, 84.572, -21.082), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 626, " CA " at (66.386, 85.992, -21.395), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 627, " C  " at (65.282, 86.271, -20.377), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 628, " O  " at (64.337, 87.015, -20.682), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 629, " CB " at (65.854, 84.993, -22.429), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 630, " CG " at (66.113, 85.380, -23.882), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 631, " CD " at (66.417, 86.872, -24.103), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 632, " NE " at (65.578, 87.495, -25.136), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 633, " HE " at (64.590, 87.639, -24.927), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 634, " CZ " at (66.029, 87.885, -26.332), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 635, " NH1" at (67.309, 87.702, -26.664), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 636, "1HH1" at (67.653, 88.000, -27.577), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 637, "2HH1" at (67.946, 87.275, -25.992), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 638, " NH2" at (65.197, 88.443, -27.210), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 639, "1HH2" at (65.541, 88.741, -28.123), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 640, "2HH2" at (64.219, 88.583, -26.956), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 641, " N  " at (65.381, 85.665, -19.191), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 642, " HN " at (66.137, 85.001, -19.024), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 643, " CA " at (64.414, 85.946, -18.130), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 644, " C  " at (64.576, 87.384, -17.598), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 645, " O  " at (63.695, 87.883, -16.913), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 646, " CB " at (64.505, 84.946, -16.958), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 647, " CG2" at (64.467, 83.496, -17.447), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 648, " OG1" at (65.786, 85.091, -16.315), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 649, " HG1" at (65.842, 84.475, -15.594), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 650, " N  " at (65.694, 88.043, -17.908), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 651, " HN " at (66.395, 87.598, -18.501), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 652, " CA " at (65.925, 89.400, -17.405), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 653, " C  " at (65.394, 90.445, -18.374), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 654, " O  " at (65.324, 91.629, -18.032), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 655, " CB " at (67.417, 89.653, -17.178), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 656, " CG " at (68.217, 88.722, -16.265), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 657, " CD1" at (69.683, 89.116, -16.305), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 658, " CD2" at (67.668, 88.731, -14.815), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 659, " N  " at (65.071, 90.020, -19.597), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 660, " HN " at (65.086, 89.020, -19.796), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 661, " CA " at (64.696, 90.951, -20.659), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 662, " C  " at (63.467, 91.793, -20.332), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 663, " O  " at (62.569, 91.360, -19.600), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 664, " CB " at (64.471, 90.209, -21.981), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 665, " N  " at (63.430, 92.992, -20.899), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 666, " HN " at (64.242, 93.315, -21.425), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 667, " CA " at (62.274, 93.854, -20.794), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 668, " C  " at (62.130, 94.687, -22.063), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 669, " O  " at (63.089, 94.901, -22.797), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 670, " CB " at (62.360, 94.770, -19.548), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 671, " CG " at (63.415, 95.849, -19.644), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 672, " CD1" at (63.248, 97.123, -20.127), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 673, " CD2" at (64.786, 95.760, -19.238), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 674, " CE2" at (65.394, 97.008, -19.523), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 675, " CE3" at (65.575, 94.740, -18.684), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 676, " NE1" at (64.429, 97.826, -20.053), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 677, " HE1" at (64.564, 98.794, -20.344), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 678, " CZ2" at (66.750, 97.266, -19.258), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 679, " CZ3" at (66.913, 94.981, -18.427), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 680, " CH2" at (67.492, 96.233, -18.707), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 681, " N  " at (60.920, 95.152, -22.303), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 682, " HN " at (60.162, 94.909, -21.665), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 683, " CA " at (60.629, 96.007, -23.457), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 684, " C  " at (61.150, 97.436, -23.226), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 685, " O  " at (60.678, 98.124, -22.332), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 686, " CB " at (59.110, 96.022, -23.734), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 687, " CG " at (58.755, 96.698, -25.061), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 688, " ND2" at (57.653, 96.270, -25.682), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 689, "1HD2" at (57.076, 95.514, -25.313), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 690, "2HD2" at (57.416, 96.720, -26.566), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 691, " OD1" at (59.452, 97.610, -25.506), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 692, " N  " at (62.109, 97.897, -24.022), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 693, " HN " at (62.450, 97.317, -24.788), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 694, " CA " at (62.681, 99.224, -23.813), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 695, " C  " at (62.515, 100.167, -24.982), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 696, " O  " at (63.401, 100.990, -25.213), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 697, " CB " at (64.178, 99.114, -23.515), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 698, " OG " at (64.880, 98.625, -24.640), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 699, " HG " at (65.809, 98.557, -24.455), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 700, " N  " at (61.407, 100.048, -25.726), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 701, " HN " at (60.755, 99.287, -25.536), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 702, " CA " at (61.115, 100.994, -26.811), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 703, " C  " at (61.024, 102.407, -26.243), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 704, " O  " at (61.471, 103.364, -26.878), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 705, " CB " at (59.827, 100.638, -27.565), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 706, " OG " at (58.697, 100.601, -26.705), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 707, " HG " at (57.900, 100.381, -27.172), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 708, " N  " at (60.488, 102.522, -25.029), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 709, " HN " at (60.140, 101.690, -24.552), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 710, " CA " at (60.392, 103.820, -24.374), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 711, " C  " at (60.923, 103.811, -22.934), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 712, " O  " at (60.409, 104.513, -22.072), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 713, " CB " at (58.955, 104.370, -24.499), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 714, " CG " at (58.546, 104.625, -25.922), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 715, " CD2" at (57.782, 103.900, -26.776), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 716, " ND1" at (58.999, 105.712, -26.646), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 717, " HD1" at (59.611, 106.445, -26.287), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 718, " CE1" at (58.516, 105.655, -27.875), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 719, " NE2" at (57.770, 104.569, -27.981), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 720, " HE2" at (57.267, 104.274, -28.818), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 721, " N  " at (61.975, 103.029, -22.702), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 722, " HN " at (62.379, 102.523, -23.490), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 723, " CA " at (62.589, 102.851, -21.378), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 724, " C  " at (64.136, 102.825, -21.488), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 725, " O  " at (64.675, 102.598, -22.561), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 726, " CB " at (62.065, 101.558, -20.718), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 727, " OG " at (60.630, 101.565, -20.716), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 728, " HG " at (60.307, 100.769, -20.310), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 729, " N  " at (64.862, 103.078, -20.399), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 730, " CA " at (66.309, 102.819, -20.388), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 731, " C  " at (66.580, 101.379, -20.842), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 732, " O  " at (65.811, 100.468, -20.514), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 733, " CB " at (66.688, 102.987, -18.920), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 734, " CG " at (65.615, 103.874, -18.358), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 735, " CD " at (64.381, 103.613, -19.111), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 736, " N  " at (67.630, 101.192, -21.622), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 737, " HN " at (68.255, 101.969, -21.835), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 738, " CA " at (67.891, 99.868, -22.177), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 739, " C  " at (69.043, 99.120, -21.484), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 740, " O  " at (69.371, 98.002, -21.873), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 741, " CB " at (68.077, 99.933, -23.708), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 742, " CG " at (69.459, 100.341, -24.085), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 743, " OD1" at (69.965, 101.325, -23.501), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 744, " OD2" at (70.131, 99.718, -24.929), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 745, " N  " at (69.618, 99.738, -20.448), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 746, " HN " at (69.335, 100.695, -20.239), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 747, " CA " at (70.636, 99.112, -19.595), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 748, " C  " at (70.519, 99.560, -18.157), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 749, " O  " at (70.195, 100.698, -17.881), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 750, " CB " at (72.044, 99.494, -20.054), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 751, " CG " at (72.496, 98.780, -21.275), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 752, " CD " at (73.978, 98.942, -21.542), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 753, " NE2" at (74.329, 99.185, -22.802), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 754, "1HE2" at (75.327, 99.294, -22.982), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 755, "2HE2" at (73.650, 99.294, -23.555), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 756, " OE1" at (74.798, 98.810, -20.633), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 757, " N  " at (70.838, 98.668, -17.241), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 758, " HN " at (71.040, 97.711, -17.531), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 759, " CA " at (70.910, 99.008, -15.830), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 760, " C  " at (72.094, 98.289, -15.180), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 761, " O  " at (72.572, 97.251, -15.676), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 762, " CB " at (69.598, 98.625, -15.077), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 763, " CG1" at (68.416, 99.594, -15.436), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 764, " CG2" at (69.249, 97.182, -15.316), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 765, " N  " at (72.538, 98.815, -14.052), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 766, " HN " at (72.231, 99.751, -13.787), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 767, " CA " at (73.459, 98.092, -13.172), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 768, " C  " at (72.682, 97.319, -12.094), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 769, " O  " at (71.788, 97.880, -11.450), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 770, " CB " at (74.422, 99.071, -12.501), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 771, " OG " at (75.247, 99.686, -13.460), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 772, " HG " at (75.846, 100.295, -13.043), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 773, " N  " at (73.040, 96.057, -11.877), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 774, " HN " at (73.867, 95.700, -12.355), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 775, " CA " at (72.312, 95.159, -10.993), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 776, " C  " at (73.312, 94.422, -10.066), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 777, " O  " at (74.330, 93.871, -10.533), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 778, " CB " at (71.508, 94.086, -11.826), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 779, " CG1" at (70.662, 93.172, -10.933), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 780, " CG2" at (70.643, 94.745, -12.895), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 781, " N  " at (73.046, 94.425, -8.752), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 782, " CA " at (73.890, 93.673, -7.816), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 783, " C  " at (73.912, 92.173, -8.272), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 784, " O  " at (72.867, 91.655, -8.605), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 785, " CB " at (73.199, 93.850, -6.446), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 786, " CG " at (72.136, 94.802, -6.605), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 787, " CD " at (71.952, 95.155, -8.089), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 788, " N  " at (75.072, 91.533, -8.332), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 789, " HN " at (75.933, 92.015, -8.074), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 790, " CA " at (75.119, 90.138, -8.768), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 791, " C  " at (74.338, 89.196, -7.844), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 792, " O  " at (73.968, 88.093, -8.240), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 793, " CB " at (76.578, 89.618, -8.982), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 794, " CG1" at (77.362, 89.600, -7.666), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 795, " CG2" at (77.293, 90.410, -10.094), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 796, " CD1" at (78.608, 88.735, -7.732), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 797, " N  " at (74.065, 89.643, -6.620), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 798, " HN " at (74.454, 90.533, -6.308), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 799, " CA " at (73.217, 88.873, -5.726), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 800, " C  " at (71.801, 88.717, -6.249), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 801, " O  " at (71.117, 87.787, -5.863), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 802, " CB " at (73.237, 89.469, -4.311), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 803, " OG " at (72.532, 90.696, -4.244), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 804, " HG " at (72.544, 91.065, -3.369), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 805, " N  " at (71.382, 89.586, -7.163), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 806, " HN " at (72.000, 90.346, -7.447), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 807, " CA " at (70.054, 89.480, -7.774), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 808, " C  " at (70.036, 88.724, -9.114), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 809, " O  " at (68.990, 88.598, -9.726), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 810, " CB " at (69.458, 90.895, -7.997), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 811, " OG " at (69.110, 91.488, -6.761), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 812, " HG " at (68.745, 92.354, -6.898), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 813, " N  " at (71.181, 88.247, -9.563), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 814, " HN " at (72.006, 88.325, -8.968), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 815, " CA " at (71.327, 87.606, -10.884), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 816, " C  " at (71.948, 86.224, -10.738), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 817, " O  " at (72.778, 86.021, -9.875), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 818, " CB " at (72.317, 88.411, -11.756), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 819, " CG " at (72.024, 89.871, -12.150), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 820, " CD1" at (73.056, 90.374, -13.128), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 821, " CD2" at (70.723, 89.904, -12.779), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 822, " N  " at (71.597, 85.296, -11.619), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 823, " HN " at (70.737, 85.404, -12.157), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 824, " CA " at (72.439, 84.122, -11.819), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 825, " C  " at (73.751, 84.559, -12.464), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 826, " O  " at (73.746, 85.316, -13.424), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 827, " CB " at (71.778, 83.086, -12.716), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 828, " CG " at (72.675, 81.889, -12.976), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 829, " CD1" at (72.775, 80.749, -12.202), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 830, " CD2" at (73.577, 81.703, -14.071), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 831, " CE2" at (74.164, 80.417, -13.918), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 832, " CE3" at (73.927, 82.473, -15.199), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 833, " NE1" at (73.666, 79.875, -12.761), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 834, " HE1" at (73.920, 78.964, -12.378), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 835, " CZ2" at (75.092, 79.890, -14.842), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 836, " CZ3" at (74.835, 81.949, -16.124), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 837, " CH2" at (75.403, 80.661, -15.938), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 838, " N  " at (74.848, 84.038, -11.941), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 839, " HN " at (74.752, 83.403, -11.148), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 840, " CA " at (76.199, 84.327, -12.444), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 841, " C  " at (76.889, 82.979, -12.654), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 842, " O  " at (76.662, 82.035, -11.896), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 843, " CB " at (76.938, 85.259, -11.435), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 844, " CG1" at (78.423, 85.251, -11.588), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 845, " CG2" at (76.413, 86.702, -11.563), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 846, " N  " at (77.664, 82.835, -13.724), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 847, " CA " at (78.339, 81.553, -13.963), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 848, " C  " at (79.286, 81.221, -12.802), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 849, " O  " at (79.898, 82.135, -12.268), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 850, " CB " at (79.099, 81.751, -15.278), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 851, " CG " at (78.725, 83.115, -15.819), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 852, " CD " at (77.921, 83.844, -14.779), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 853, " N  " at (79.340, 79.952, -12.394), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 854, " HN " at (78.771, 79.261, -12.882), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 855, " CA " at (80.168, 79.507, -11.291), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 856, " C  " at (81.619, 79.221, -11.759), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 857, " O  " at (82.102, 78.058, -11.680), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 858, " CB " at (79.516, 78.262, -10.660), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 859, " CG " at (79.525, 77.059, -11.592), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 860, " OD1" at (79.443, 77.267, -12.839), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 861, " OD2" at (79.600, 75.867, -11.179), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 862, " N  " at (82.265, 80.260, -12.311), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 863, " HN " at (81.803, 81.168, -12.360), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 864, " CA " at (83.619, 80.114, -12.843), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 865, " C  " at (84.655, 80.004, -11.726), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 866, " O  " at (84.519, 80.643, -10.656), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 867, " CB " at (83.984, 81.279, -13.767), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 868, " CG " at (83.087, 81.394, -15.021), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 869, " CD1" at (83.551, 82.554, -15.816), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 870, " CD2" at (83.096, 80.115, -15.865), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 871, " N  " at (85.687, 79.208, -11.966), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 872, " HN " at (85.699, 78.627, -12.804), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 873, " CA " at (86.811, 79.162, -11.028), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 874, " C  " at (88.103, 78.977, -11.788), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 875, " O  " at (88.125, 78.329, -12.848), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 876, " CB " at (86.612, 78.012, -9.983), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 877, " N  " at (89.190, 79.531, -11.261), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 878, " HN " at (89.111, 80.129, -10.439), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 879, " CA " at (90.496, 79.282, -11.860), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 880, " C  " at (91.014, 77.996, -11.201), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 881, " O  " at (91.109, 77.938, -9.974), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 882, " CB " at (91.404, 80.422, -11.607), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 883, " N  " at (91.311, 76.969, -12.015), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 884, " HN " at (91.212, 77.103, -13.021), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 885, " CA " at (91.777, 75.647, -11.521), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 886, " C  " at (93.171, 75.615, -10.868), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 887, " O  " at (93.470, 74.723, -10.075), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 888, " CB " at (91.806, 74.622, -12.647), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 889, " CG " at (90.451, 74.061, -13.036), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 890, " CD1" at (89.424, 74.887, -13.511), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 891, " CD2" at (90.210, 72.666, -12.960), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 892, " CE1" at (88.191, 74.336, -13.880), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 893, " CE2" at (88.997, 72.129, -13.316), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 894, " CZ " at (87.990, 72.941, -13.774), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 895, " OH " at (86.785, 72.368, -14.123), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 896, " HH " at (86.650, 71.430, -14.052), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 897, " N  " at (94.034, 76.559, -11.221), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 898, " HN " at (93.763, 77.249, -11.921), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 899, " CA " at (95.368, 76.626, -10.622), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 900, " C  " at (95.515, 77.806, -9.631), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 901, " O  " at (96.625, 78.238, -9.289), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 902, " CB " at (96.462, 76.599, -11.711), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 903, " CG " at (96.327, 77.728, -12.744), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 904, " ND2" at (97.484, 78.272, -13.184), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 905, "1HD2" at (97.394, 79.022, -13.870), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 906, "2HD2" at (98.399, 77.967, -12.852), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 907, " OD1" at (95.198, 78.104, -13.154), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 908, " N  " at (94.387, 78.369, -9.185), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 909, " HN " at (93.485, 78.064, -9.551), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 910, " CA " at (94.445, 79.415, -8.179), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 911, " C  " at (94.822, 78.779, -6.818), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 912, " O  " at (94.393, 77.658, -6.462), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 913, " CB " at (93.142, 80.136, -8.084), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 914, " N  " at (95.652, 79.492, -6.079), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 915, " HN " at (95.992, 80.384, -6.439), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 916, " CA " at (96.095, 79.047, -4.773), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 917, " C  " at (95.705, 80.059, -3.723), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 918, " O  " at (96.146, 79.964, -2.592), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 919, " CB " at (97.635, 78.790, -4.755), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 920, " CG1" at (98.404, 80.089, -5.107), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 921, " CG2" at (98.012, 77.657, -5.700), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 922, " CD1" at (99.919, 80.002, -4.899), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 923, " N  " at (94.908, 81.047, -4.091), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 924, " HN " at (94.741, 81.224, -5.081), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 925, " CA " at (94.261, 81.892, -3.074), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 926, " C  " at (92.851, 82.155, -3.536), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 927, " O  " at (92.513, 81.885, -4.696), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 928, " CB " at (94.996, 83.219, -2.892), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 929, " OG " at (94.833, 84.027, -4.067), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 930, " HG " at (95.290, 84.852, -3.954), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 931, " N  " at (92.025, 82.666, -2.637), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 932, " HN " at (92.311, 82.842, -1.674), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 933, " CA " at (90.690, 82.959, -3.109), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 934, " C  " at (90.682, 84.274, -3.870), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 935, " O  " at (91.538, 85.147, -3.639), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 936, " CB " at (89.590, 82.829, -2.036), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 937, " CG " at (89.546, 83.846, -0.944), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 938, " CD " at (89.447, 83.063, 0.380), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 939, " CE " at (88.003, 82.886, 0.915), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 940, " NZ " at (87.999, 82.543, 2.438), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 941, " HZ1" at (87.049, 82.427, 2.790), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 942, " HZ2" at (88.516, 83.236, 2.979), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 943, " HZ3" at (88.575, 81.726, 2.639), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 944, " N  " at (89.757, 84.365, -4.814), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 945, " CA " at (89.674, 85.526, -5.694), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 946, " C  " at (89.246, 86.719, -4.824), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 947, " O  " at (88.150, 86.711, -4.255), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 948, " CB " at (88.598, 85.160, -6.683), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 949, " CG " at (87.812, 84.037, -6.085), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 950, " CD " at (88.644, 83.408, -5.007), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 951, " N  " at (90.137, 87.679, -4.645), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 952, " HN " at (91.089, 87.532, -4.980), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 953, " CA " at (89.812, 88.942, -3.987), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 954, " C  " at (89.210, 89.889, -5.036), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 955, " O  " at (89.928, 90.331, -5.960), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 956, " CB " at (91.125, 89.522, -3.449), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 957, " CG " at (91.009, 90.671, -2.480), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 958, " CD " at (92.370, 91.106, -1.915), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 959, " OE1" at (93.294, 90.251, -1.809), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 960, " OE2" at (92.514, 92.299, -1.536), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 961, " N  " at (87.908, 90.163, -4.945), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 962, " HN " at (87.358, 89.685, -4.232), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 963, " CA " at (87.236, 91.117, -5.821), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 964, " C  " at (87.454, 92.547, -5.310), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 965, " O  " at (87.071, 92.903, -4.196), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 966, " CB " at (85.728, 90.818, -5.876), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 967, " CG1" at (85.003, 91.736, -6.844), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 968, " CG2" at (85.461, 89.338, -6.196), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 969, " N  " at (88.058, 93.374, -6.137), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 970, " HN " at (88.268, 93.071, -7.088), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 971, " CA " at (88.429, 94.711, -5.714), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 972, " C  " at (87.355, 95.782, -5.978), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 973, " O  " at (87.461, 96.873, -5.449), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 974, " CB " at (89.747, 95.106, -6.378), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 975, " CG " at (90.905, 94.112, -6.246), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 976, " CD1" at (92.082, 94.547, -7.104), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 977, " CD2" at (91.363, 93.970, -4.785), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 978, " N  " at (86.331, 95.450, -6.771), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 979, " HN " at (86.195, 94.466, -7.003), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 980, " CA " at (85.408, 96.421, -7.315), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 981, " C  " at (83.987, 96.152, -6.823), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 982, " O  " at (83.700, 94.996, -6.423), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 983, " CB " at (85.439, 96.395, -8.858), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 984, " CG2" at (86.691, 97.053, -9.386), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 985, " OG1" at (85.519, 95.045, -9.340), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 986, " HG1" at (85.538, 95.029, -10.290), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 987, " N  " at (83.097, 97.167, -6.876), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 988, " CA " at (81.659, 96.953, -6.589), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 989, " C  " at (81.103, 95.767, -7.417), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 990, " O  " at (81.370, 95.625, -8.611), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 991, " CB " at (81.000, 98.248, -7.049), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 992, " CG " at (82.122, 99.328, -6.901), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 993, " CD " at (83.391, 98.575, -7.244), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 994, " N  " at (80.315, 94.937, -6.771), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 995, " HN " at (80.000, 95.169, -5.829), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 996, " CA " at (79.887, 93.687, -7.390), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 997, " C  " at (78.546, 93.871, -8.123), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 998, " O  " at (77.514, 93.344, -7.710), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 999, " CB " at (79.869, 92.574, -6.336), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 1000, " CG " at (81.244, 92.221, -5.871), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 1001, " CD " at (81.271, 91.152, -4.755), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 1002, " NE2" at (82.119, 91.367, -3.778), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 1003, "1HE2" at (82.718, 92.192, -3.742), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 1004, "2HE2" at (82.137, 90.662, -3.042), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 1005, " OE1" at (80.542, 90.148, -4.799), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 1006, " N  " at (78.599, 94.642, -9.202), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 1007, " HN " at (79.509, 95.010, -9.480), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 1008, " CA " at (77.453, 94.996, -10.011), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 1009, " C  " at (77.691, 94.473, -11.399), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 1010, " O  " at (78.815, 94.604, -11.936), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 1011, " CB " at (77.288, 96.524, -10.069), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 1012, " CG " at (77.130, 97.261, -8.728), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 1013, " CD1" at (77.011, 98.781, -8.956), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 1014, " CD2" at (75.892, 96.745, -7.978), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 1015, " N  " at (76.644, 93.935, -12.007), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 1016, " HN " at (75.793, 93.747, -11.477), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 1017, " CA " at (76.696, 93.610, -13.423), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 1018, " C  " at (75.879, 94.600, -14.223), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 1019, " O  " at (74.909, 95.177, -13.714), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 1020, " CB " at (76.162, 92.206, -13.667), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 1021, " N  " at (76.233, 94.767, -15.484), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 1022, " HN " at (77.086, 94.323, -15.824), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 1023, " CA " at (75.452, 95.554, -16.382), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 1024, " C  " at (74.507, 94.651, -17.213), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 1025, " O  " at (74.948, 93.714, -17.873), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 1026, " CB " at (76.413, 96.320, -17.283), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 1027, " CG " at (75.812, 97.493, -17.877), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 1028, " CD " at (75.717, 98.714, -16.978), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 1029, " NE " at (75.138, 99.745, -17.797), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 1030, " HE " at (75.213, 99.631, -18.808), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 1031, " CZ " at (74.517, 100.828, -17.359), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 1032, " NH1" at (74.384, 101.069, -16.050), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 1033, "1HH1" at (73.905, 101.904, -15.712), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 1034, "2HH1" at (74.740, 100.408, -15.360), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 1035, " NH2" at (74.049, 101.696, -18.265), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 1036, "1HH2" at (73.570, 102.531, -17.927), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 1037, "2HH2" at (74.150, 101.512, -19.263), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 1038, " N  " at (73.218, 94.939, -17.177), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 1039, " HN " at (72.918, 95.770, -16.667), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 1040, " CA " at (72.205, 94.122, -17.834), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 1041, " C  " at (71.535, 94.957, -18.917), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 1042, " O  " at (71.068, 96.078, -18.639), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 1043, " CB " at (71.132, 93.591, -16.793), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 1044, " CG1" at (70.056, 92.753, -17.458), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 1045, " CG2" at (71.798, 92.772, -15.726), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 1046, " N  " at (71.514, 94.421, -20.137), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 1047, " HN " at (71.959, 93.514, -20.277), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 1048, " CA " at (70.880, 95.075, -21.291), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 1049, " C  " at (69.465, 94.552, -21.425), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 1050, " O  " at (69.181, 93.413, -21.035), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 1051, " CB " at (71.708, 94.832, -22.601), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 1052, " CG1" at (71.178, 95.670, -23.805), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 1053, " CG2" at (73.167, 95.187, -22.343), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 1054, " N  " at (68.574, 95.353, -21.989), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 1055, " HN " at (68.875, 96.253, -22.363), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 1056, " CA " at (67.141, 94.964, -22.087), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 1057, " C  " at (66.829, 93.699, -22.880), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 1058, " O  " at (65.732, 93.163, -22.762), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 1059, " CB " at (66.315, 96.115, -22.658), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 1060, " OG " at (66.654, 96.318, -24.003), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 1061, " HG " at (66.140, 97.034, -24.358), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 1062, " N  " at (67.776, 93.220, -23.689), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 1063, " HN " at (68.639, 93.745, -23.829), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 1064, " CA " at (67.579, 91.941, -24.377), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 1065, " C  " at (68.043, 90.742, -23.542), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 1066, " O  " at (67.930, 89.594, -23.979), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 1067, " CB " at (68.224, 91.932, -25.767), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 1068, " CG " at (69.738, 92.081, -25.717), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 1069, " OD1" at (70.329, 92.204, -24.610), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 1070, " OD2" at (70.436, 92.073, -26.740), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 1071, " N  " at (68.539, 91.013, -22.342), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 1072, " HN " at (68.598, 91.988, -22.048), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 1073, " CA " at (69.001, 89.985, -21.429), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 1074, " C  " at (70.491, 89.714, -21.467), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 1075, " O  " at (70.916, 88.796, -20.827), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 1076, " N  " at (71.271, 90.479, -22.229), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 1077, " HN " at (70.846, 91.168, -22.850), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 1078, " CA " at (72.749, 90.345, -22.189), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 1079, " C  " at (73.275, 90.912, -20.891), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 1080, " O  " at (72.814, 91.960, -20.434), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 1081, " CB " at (73.454, 91.051, -23.346), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 1082, " CG " at (73.196, 90.488, -24.738), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 1083, " CD " at (73.568, 89.010, -24.882), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 1084, " OE1" at (74.741, 88.629, -24.599), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 1085, " OE2" at (72.676, 88.223, -25.296), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 1086, " N  " at (74.224, 90.200, -20.296), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 1087, " HN " at (74.544, 89.345, -20.751), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 1088, " CA " at (74.834, 90.575, -19.026), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 1089, " C  " at (76.334, 90.696, -19.246), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 1090, " O  " at (76.910, 89.859, -19.921), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 1091, " CB " at (74.556, 89.534, -17.933), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 1092, " CG1" at (75.037, 90.035, -16.563), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 1093, " CG2" at (73.088, 89.242, -17.854), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 1094, " N  " at (76.931, 91.760, -18.700), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 1095, " HN " at (76.339, 92.498, -18.318), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 1096, " CA " at (78.364, 91.929, -18.618), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 1097, " C  " at (78.717, 92.106, -17.145), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 1098, " O  " at (78.251, 93.048, -16.504), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 1099, " CB " at (78.824, 93.170, -19.395), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 1100, " CG " at (80.264, 93.669, -19.128), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 1101, " CD1" at (81.289, 92.647, -19.548), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 1102, " CD2" at (80.538, 94.967, -19.863), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 1103, " N  " at (79.502, 91.170, -16.608), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 1104, " HN " at (79.742, 90.347, -17.160), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 1105, " CA " at (80.024, 91.292, -15.259), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 1106, " C  " at (81.527, 91.326, -15.410), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 1107, " O  " at (82.082, 90.425, -16.020), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 1108, " CB " at (79.546, 90.114, -14.369), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 1109, " CG " at (80.080, 90.187, -12.971), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 1110, " CD1" at (80.120, 91.411, -12.276), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 1111, " CD2" at (80.613, 89.061, -12.352), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 1112, " CE1" at (80.650, 91.494, -10.961), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 1113, " CE2" at (81.120, 89.126, -11.030), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 1114, " CZ " at (81.136, 90.351, -10.355), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 1115, " OH " at (81.623, 90.405, -9.079), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 1116, " HH " at (81.957, 89.619, -8.662), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 1117, " N  " at (82.179, 92.375, -14.895), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 1118, " HN " at (81.658, 93.062, -14.350), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 1119, " CA " at (83.625, 92.568, -15.091), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 1120, " C  " at (84.295, 93.033, -13.821), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 1121, " O  " at (84.661, 94.217, -13.710), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 1122, " CB " at (83.859, 93.589, -16.208), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 1123, " CG " at (85.305, 93.663, -16.727), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 1124, " SD " at (85.501, 94.432, -18.417), DEBUG: found_parm->rec_index = 5 was assigned atom type "SA" (rec_index= 5, atom_type= 5).
-Atom no. 1125, " CE " at (83.957, 94.840, -18.844), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 1126, " N  " at (84.450, 92.134, -12.851), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 1127, " CA " at (85.111, 92.475, -11.601), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 1128, " C  " at (86.629, 92.577, -11.795), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 1129, " O  " at (87.153, 91.924, -12.685), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 1130, " CB " at (84.757, 91.280, -10.681), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 1131, " CG " at (84.606, 90.125, -11.598), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 1132, " CD " at (84.014, 90.717, -12.865), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 1133, " N  " at (87.295, 93.426, -11.011), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 1134, " HN " at (86.767, 94.094, -10.449), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 1135, " CA " at (88.740, 93.435, -10.928), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 1136, " C  " at (89.111, 92.479, -9.812), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 1137, " O  " at (88.641, 92.603, -8.699), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 1138, " CB " at (89.274, 94.807, -10.580), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 1139, " OG " at (90.673, 94.760, -10.729), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 1140, " HG " at (91.008, 95.622, -10.510), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 1141, " N  " at (89.949, 91.509, -10.125), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 1142, " HN " at (90.386, 91.506, -11.046), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 1143, " CA " at (90.267, 90.429, -9.171), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 1144, " C  " at (91.749, 90.388, -8.910), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 1145, " O  " at (92.543, 90.456, -9.845), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 1146, " CB " at (89.788, 89.100, -9.750), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 1147, " CG1" at (88.247, 89.077, -9.738), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 1148, " CG2" at (90.347, 87.905, -8.935), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 1149, " CD1" at (87.603, 87.768, -10.238), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 1150, " N  " at (92.119, 90.310, -7.635), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 1151, " HN " at (91.436, 90.507, -6.903), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 1152, " CA " at (93.477, 89.950, -7.263), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 1153, " C  " at (93.528, 88.505, -6.799), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 1154, " O  " at (92.789, 88.106, -5.905), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 1155, " CB " at (94.003, 90.846, -6.175), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 1156, " CG " at (95.454, 90.524, -5.802), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 1157, " CD " at (96.002, 91.351, -4.669), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 1158, " NE " at (97.412, 91.058, -4.476), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 1159, " HE " at (97.755, 90.156, -4.806), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 1160, " CZ " at (98.293, 91.879, -3.900), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 1161, " NH1" at (97.907, 93.072, -3.439), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 1162, "1HH1" at (98.580, 93.699, -2.999), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 1163, "2HH1" at (96.933, 93.362, -3.523), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 1164, " NH2" at (99.568, 91.500, -3.790), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 1165, "1HH2" at (100.241, 92.127, -3.350), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 1166, "2HH2" at (99.863, 90.589, -4.142), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 1167, " N  " at (94.405, 87.706, -7.403), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 1168, " HN " at (95.036, 88.083, -8.110), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 1169, " CA " at (94.463, 86.281, -7.051), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 1170, " C  " at (95.883, 85.750, -7.263), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 1171, " O  " at (96.600, 86.249, -8.132), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 1172, " CB " at (93.435, 85.509, -7.899), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 1173, " CG " at (93.143, 84.061, -7.474), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 1174, " CD " at (91.879, 83.500, -8.071), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 1175, " NE2" at (91.230, 82.621, -7.327), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 1176, "1HE2" at (91.571, 82.305, -6.419), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 1177, "2HE2" at (90.374, 82.241, -7.731), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 1178, " OE1" at (91.466, 83.882, -9.169), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 1179, " N  " at (96.271, 84.720, -6.503), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 1180, " HN " at (95.653, 84.396, -5.759), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 1181, " CA " at (97.561, 84.037, -6.705), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 1182, " C  " at (97.435, 82.673, -7.439), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 1183, " O  " at (96.520, 81.897, -7.167), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 1184, " CB " at (98.341, 83.867, -5.384), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 1185, " CG " at (98.936, 85.183, -4.761), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 1186, " CD " at (99.825, 84.916, -3.519), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 1187, " NE " at (99.003, 84.513, -2.375), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 1188, " HE " at (98.021, 84.302, -2.554), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 1189, " CZ " at (99.437, 84.399, -1.112), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 1190, " NH1" at (100.714, 84.653, -0.797), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 1191, "1HH1" at (101.044, 84.566, 0.164), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 1192, "2HH1" at (101.365, 84.942, -1.527), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 1193, " NH2" at (98.586, 84.021, -0.158), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 1194, "1HH2" at (98.916, 83.934, 0.803), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 1195, "2HH2" at (97.614, 83.828, -0.398), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 1196, " N  " at (98.369, 82.408, -8.353), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 1197, " HN " at (99.125, 83.078, -8.496), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 1198, " CA " at (98.344, 81.192, -9.154), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 1199, " C  " at (99.608, 80.387, -9.011), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 1200, " O  " at (100.669, 80.909, -8.749), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 1201, " CB " at (98.083, 81.508, -10.635), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 1202, " CG " at (96.831, 82.244, -10.838), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 1203, " CD1" at (96.826, 83.641, -10.825), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 1204, " CD2" at (95.615, 81.550, -10.890), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 1205, " CE1" at (95.626, 84.341, -10.960), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 1206, " CE2" at (94.432, 82.222, -11.000), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 1207, " CZ " at (94.425, 83.649, -11.030), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 1208, " N  " at (99.448, 79.091, -9.207), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 1209, " HN " at (98.502, 78.710, -9.232), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 1210, " CA " at (100.563, 78.198, -9.387), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 1211, " C  " at (100.722, 78.024, -10.907), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 1212, " O  " at (99.783, 77.637, -11.598), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 1213, " CB " at (100.241, 76.864, -8.709), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 1214, " OG " at (101.136, 75.835, -9.145), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 1215, " HG " at (100.936, 75.007, -8.724), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 1216, " N  " at (101.901, 78.356, -11.431), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 1217, " HN " at (102.648, 78.673, -10.813), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 1218, " CA " at (102.150, 78.277, -12.869), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 1219, " C  " at (103.636, 78.462, -13.161), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 1220, " O  " at (104.436, 78.769, -12.260), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 1221, " CB " at (101.313, 79.292, -13.655), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 1222, " SG " at (101.686, 80.981, -13.187), DEBUG: found_parm->rec_index = 5 was assigned atom type "SA" (rec_index= 5, atom_type= 5).
-Atom no. 1223, " N  " at (103.995, 78.242, -14.421), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 1224, " HN " at (103.264, 78.077, -15.113), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 1225, " CA " at (105.387, 78.226, -14.861), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 1226, " C  " at (105.976, 79.651, -14.873), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 1227, " O  " at (105.631, 80.473, -15.750), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 1228, " CB " at (105.481, 77.596, -16.252), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 1229, " CG " at (106.898, 77.202, -16.622), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 1230, " OD1" at (107.834, 77.457, -15.822), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 1231, " OD2" at (107.172, 76.635, -17.703), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 1232, " N  " at (106.854, 79.928, -13.914), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 1233, " HN " at (107.112, 79.198, -13.250), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 1234, " CA " at (107.460, 81.256, -13.788), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 1235, " C  " at (108.885, 81.250, -14.379), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 1236, " O  " at (109.562, 82.283, -14.432), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 1237, " CB " at (107.406, 81.773, -12.289), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 1238, " CG1" at (108.120, 83.101, -12.116), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 1239, " CG2" at (105.970, 81.898, -11.795), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 1240, " N  " at (109.320, 80.098, -14.871), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 1241, " HN " at (108.696, 79.291, -14.883), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 1242, " CA " at (110.671, 79.963, -15.394), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 1243, " C  " at (110.887, 80.872, -16.622), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 1244, " O  " at (110.022, 81.005, -17.492), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 1245, " CB " at (111.001, 78.503, -15.735), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 1246, " OG " at (110.225, 78.076, -16.853), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 1247, " HG " at (110.429, 77.173, -17.064), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 1248, " N  " at (112.049, 81.504, -16.669), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 1249, " HN " at (112.735, 81.344, -15.931), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 1250, " CA " at (112.366, 82.416, -17.743), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 1251, " C  " at (111.880, 83.844, -17.546), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 1252, " O  " at (112.081, 84.677, -18.420), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 1253, " N  " at (111.265, 84.139, -16.410), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 1254, " HN " at (111.186, 83.426, -15.685), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 1255, " CA " at (110.693, 85.475, -16.174), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 1256, " C  " at (111.686, 86.649, -16.360), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 1257, " O  " at (111.278, 87.697, -16.816), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 1258, " CB " at (109.928, 85.578, -14.829), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 1259, " CG1" at (110.870, 85.554, -13.660), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 1260, " CG2" at (109.076, 86.822, -14.790), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 1261, " N  " at (112.961, 86.485, -16.008), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 1262, " HN " at (113.259, 85.604, -15.589), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 1263, " CA " at (113.945, 87.563, -16.217), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 1264, " C  " at (114.814, 87.357, -17.451), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 1265, " O  " at (115.972, 87.716, -17.452), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 1266, " CB " at (114.859, 87.776, -14.983), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 1267, " CG " at (115.323, 89.246, -14.808), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 1268, " OD1" at (114.974, 90.138, -15.615), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 1269, " OD2" at (116.057, 89.615, -13.873), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 1270, " N  " at (114.275, 86.738, -18.483), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 1271, " HN " at (113.373, 86.272, -18.387), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 1272, " CA " at (114.972, 86.723, -19.759), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 1273, " C  " at (114.060, 87.445, -20.733), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 1274, " O  " at (112.977, 87.884, -20.354), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 1275, " CB " at (115.298, 85.285, -20.255), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 1276, " CG2" at (116.067, 84.458, -19.183), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 1277, " OG1" at (114.076, 84.570, -20.476), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 1278, " HG1" at (113.607, 85.075, -21.130), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 1279, " N  " at (114.514, 87.559, -21.974), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 1280, " HN " at (115.392, 87.096, -22.208), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 1281, " CA " at (113.830, 88.308, -23.024), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 1282, " C  " at (112.679, 87.546, -23.633), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 1283, " O  " at (111.758, 88.152, -24.182), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 1284, " CB " at (114.827, 88.675, -24.138), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 1285, " CG " at (115.985, 89.483, -23.624), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 1286, " CD " at (115.728, 90.984, -23.628), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 1287, " OE1" at (114.619, 91.396, -23.207), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 1288, " OE2" at (116.658, 91.755, -24.034), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 1289, " N  " at (112.774, 86.217, -23.586), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 1290, " HN " at (113.627, 85.791, -23.224), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 1291, " CA " at (111.692, 85.363, -24.038), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 1292, " C  " at (110.576, 85.347, -22.988), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 1293, " O  " at (109.415, 85.072, -23.307), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 1294, " CB " at (112.229, 83.955, -24.336), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 1295, " OG " at (112.743, 83.362, -23.154), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 1296, " HG " at (113.075, 82.491, -23.338), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 1297, " N  " at (110.934, 85.646, -21.737), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 1298, " HN " at (111.920, 85.818, -21.540), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 1299, " CA " at (109.976, 85.737, -20.640), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 1300, " C  " at (109.412, 84.406, -20.173), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 1301, " O  " at (109.789, 83.342, -20.678), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 1302, " N  " at (108.502, 84.489, -19.203), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 1303, " HN " at (108.273, 85.411, -18.831), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 1304, " CA " at (107.821, 83.335, -18.650), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 1305, " C  " at (106.454, 83.242, -19.286), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 1306, " O  " at (105.936, 84.246, -19.742), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 1307, " CB " at (107.684, 83.479, -17.124), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 1308, " N  " at (105.880, 82.038, -19.324), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 1309, " HN " at (106.431, 81.223, -19.055), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 1310, " CA " at (104.484, 81.841, -19.739), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 1311, " C  " at (103.638, 81.167, -18.649), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 1312, " O  " at (103.751, 79.965, -18.415), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 1313, " CB " at (104.358, 81.095, -21.076), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 1314, " CG2" at (102.912, 81.148, -21.573), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 1315, " OG1" at (105.055, 81.831, -22.097), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 1316, " HG1" at (105.953, 81.798, -21.788), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 1317, " N  " at (102.807, 81.970, -17.995), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 1318, " HN " at (102.793, 82.958, -18.247), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 1319, " CA " at (101.921, 81.518, -16.945), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 1320, " C  " at (100.546, 81.222, -17.576), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 1321, " O  " at (99.975, 82.064, -18.267), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 1322, " CB " at (101.828, 82.602, -15.867), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 1323, " SG " at (100.705, 82.256, -14.488), DEBUG: found_parm->rec_index = 5 was assigned atom type "SA" (rec_index= 5, atom_type= 5).
-Atom no. 1324, " N  " at (100.062, 79.998, -17.381), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 1325, " HN " at (100.602, 79.344, -16.815), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 1326, " CA " at (98.798, 79.554, -17.939), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 1327, " C  " at (97.737, 79.580, -16.852), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 1328, " O  " at (97.920, 78.995, -15.792), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 1329, " CB " at (98.909, 78.123, -18.478), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 1330, " CG " at (99.848, 77.894, -19.680), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 1331, " CD " at (99.784, 76.455, -20.308), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 1332, " NE " at (98.958, 75.526, -19.506), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 1333, " HE " at (97.947, 75.661, -19.514), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 1334, " CZ " at (99.446, 74.521, -18.771), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 1335, " NH1" at (100.759, 74.285, -18.738), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 1336, "1HH1" at (101.131, 73.518, -18.177), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 1337, "2HH1" at (101.391, 74.875, -19.279), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 1338, " NH2" at (98.619, 73.748, -18.062), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 1339, "1HH2" at (98.991, 72.981, -17.501), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 1340, "2HH2" at (97.615, 73.928, -18.087), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 1341, " N  " at (96.624, 80.248, -17.119), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 1342, " HN " at (96.524, 80.732, -18.011), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 1343, " CA " at (95.540, 80.295, -16.142), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 1344, " C  " at (94.312, 79.585, -16.737), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 1345, " O  " at (93.869, 79.915, -17.847), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 1346, " CB " at (95.210, 81.772, -15.706), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 1347, " CG1" at (96.380, 82.419, -14.942), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 1348, " CG2" at (93.896, 81.828, -14.942), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 1349, " CD1" at (96.321, 84.024, -14.961), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 1350, " N  " at (93.788, 78.612, -16.001), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 1351, " HN " at (94.136, 78.462, -15.054), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 1352, " CA " at (92.729, 77.755, -16.512), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 1353, " C  " at (91.415, 78.090, -15.788), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 1354, " O  " at (91.311, 77.916, -14.568), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 1355, " CB " at (93.143, 76.289, -16.299), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 1356, " CG " at (92.131, 75.243, -16.785), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 1357, " CD " at (92.586, 73.814, -16.435), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 1358, " CE " at (91.388, 72.869, -16.423), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 1359, " NZ " at (91.753, 71.519, -15.948), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 1360, " HZ1" at (90.952, 70.887, -15.940), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 1361, " HZ2" at (92.203, 71.558, -15.034), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 1362, " HZ3" at (92.525, 71.132, -16.491), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 1363, " N  " at (90.424, 78.570, -16.536), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 1364, " HN " at (90.557, 78.630, -17.546), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 1365, " CA " at (89.153, 79.014, -15.967), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 1366, " C  " at (87.998, 78.248, -16.599), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 1367, " O  " at (87.938, 78.114, -17.804), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 1368, " CB " at (88.978, 80.581, -16.133), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 1369, " CG1" at (89.832, 81.353, -15.098), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 1370, " CG2" at (87.522, 81.027, -15.954), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 1371, " CD1" at (90.014, 82.879, -15.455), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 1372, " N  " at (87.091, 77.730, -15.776), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 1373, " HN " at (87.219, 77.819, -14.768), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 1374, " CA " at (85.931, 77.045, -16.286), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 1375, " C  " at (84.848, 76.941, -15.259), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 1376, " O  " at (85.089, 77.254, -14.090), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 1377, " N  " at (83.666, 76.480, -15.655), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 1378, " HN " at (83.497, 76.289, -16.643), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 1379, " CA " at (82.605, 76.246, -14.670), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 1380, " C  " at (83.029, 75.152, -13.713), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 1381, " O  " at (83.549, 74.089, -14.137), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 1382, " CB " at (81.310, 75.821, -15.324), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 1383, " OG " at (80.329, 75.530, -14.332), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 1384, " HG " at (79.515, 75.263, -14.743), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 1385, " N  " at (82.808, 75.391, -12.427), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 1386, " HN " at (82.382, 76.273, -12.143), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 1387, " CA " at (83.165, 74.414, -11.426), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 1388, " C  " at (82.243, 73.197, -11.421), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 1389, " O  " at (82.690, 72.109, -11.160), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 1390, " CB " at (83.251, 75.059, -10.019), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 1391, " CG " at (84.041, 74.213, -9.057), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 1392, " CD1" at (83.561, 73.579, -7.969), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 1393, " CD2" at (85.441, 73.826, -9.153), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 1394, " CE2" at (85.717, 72.980, -8.047), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 1395, " CE3" at (86.482, 74.136, -10.033), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 1396, " NE1" at (84.551, 72.849, -7.355), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 1397, " HE1" at (84.431, 72.293, -6.508), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 1398, " CZ2" at (86.989, 72.429, -7.801), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 1399, " CZ3" at (87.760, 73.616, -9.783), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 1400, " CH2" at (87.998, 72.756, -8.688), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 1401, " N  " at (80.939, 73.407, -11.652), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 1402, " HN " at (80.633, 74.336, -11.941), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 1403, " CA " at (79.943, 72.353, -11.505), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 1404, " C  " at (79.045, 72.133, -12.721), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 1405, " O  " at (78.188, 71.262, -12.684), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 1406, " CB " at (79.037, 72.675, -10.259), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 1407, " CG2" at (79.854, 73.265, -9.154), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 1408, " OG1" at (78.140, 73.753, -10.598), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 1409, " HG1" at (77.593, 73.947, -9.846), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 1410, " N  " at (79.188, 72.927, -13.781), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 1411, " HN " at (79.893, 73.664, -13.775), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 1412, " CA " at (78.331, 72.741, -14.957), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 1413, " C  " at (79.111, 72.163, -16.143), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 1414, " O  " at (80.022, 72.787, -16.659), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 1415, " CB " at (77.673, 74.074, -15.319), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 1416, " CG " at (76.627, 74.526, -14.354), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 1417, " CD2" at (76.682, 75.402, -13.319), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 1418, " ND1" at (75.301, 74.152, -14.465), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 1419, " HD1" at (74.923, 73.526, -15.176), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 1420, " CE1" at (74.595, 74.733, -13.503), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 1421, " NE2" at (75.412, 75.480, -12.780), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 1422, " HE2" at (75.148, 76.025, -11.959), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 1423, " N  " at (78.794, 70.948, -16.569), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 1424, " HN " at (78.075, 70.415, -16.079), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 1425, " CA " at (79.459, 70.362, -17.729), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 1426, " C  " at (79.056, 71.026, -19.042), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 1427, " O  " at (78.278, 71.985, -19.043), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 1428, " CB " at (79.260, 68.838, -17.796), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 1429, " CG " at (77.837, 68.408, -17.747), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 1430, " CD2" at (77.158, 67.667, -16.830), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 1431, " ND1" at (76.932, 68.735, -18.735), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 1432, " HD1" at (77.136, 69.291, -19.565), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 1433, " CE1" at (75.755, 68.209, -18.430), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 1434, " NE2" at (75.869, 67.543, -17.288), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 1435, " HE2" at (75.122, 67.024, -16.826), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 1436, " N  " at (79.605, 70.516, -20.142), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 1437, " HN " at (80.115, 69.635, -20.073), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 1438, " CA " at (79.504, 71.172, -21.449), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 1439, " C  " at (78.102, 71.257, -22.055), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 1440, " O  " at (77.862, 72.047, -22.933), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 1441, " CB " at (80.509, 70.601, -22.436), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 1442, " OG " at (80.265, 69.239, -22.678), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 1443, " HG " at (80.893, 68.882, -23.295), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 1444, " N  " at (77.162, 70.472, -21.555), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 1445, " HN " at (77.398, 69.783, -20.841), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 1446, " CA " at (75.786, 70.594, -22.026), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 1447, " C  " at (75.034, 71.718, -21.300), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 1448, " O  " at (73.908, 72.048, -21.667), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 1449, " CB " at (75.058, 69.248, -21.921), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 1450, " CG " at (75.650, 68.164, -22.813), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 1451, " CD " at (74.853, 66.831, -22.788), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 1452, " NE " at (75.178, 65.933, -21.658), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 1453, " HE " at (76.111, 65.522, -21.635), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 1454, " CZ " at (74.333, 65.618, -20.656), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 1455, " NH1" at (73.095, 66.121, -20.622), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 1456, "1HH1" at (72.456, 65.883, -19.864), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 1457, "2HH1" at (72.794, 66.747, -21.369), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 1458, " NH2" at (74.728, 64.797, -19.677), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 1459, "1HH2" at (74.089, 64.559, -18.919), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 1460, "2HH2" at (75.673, 64.413, -19.703), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 1461, " N  " at (75.679, 72.320, -20.293), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 1462, " HN " at (76.651, 72.071, -20.107), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 1463, " CA " at (75.033, 73.317, -19.459), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 1464, " C  " at (75.723, 74.673, -19.581), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 1465, " O  " at (75.050, 75.705, -19.662), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 1466, " CB " at (74.984, 72.819, -18.015), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 1467, " CG " at (73.989, 71.674, -17.805), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 1468, " CD " at (74.025, 71.063, -16.398), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 1469, " OE1" at (74.617, 71.664, -15.483), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 1470, " OE2" at (73.456, 69.953, -16.196), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 1471, " N  " at (77.063, 74.663, -19.606), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 1472, " HN " at (77.546, 73.775, -19.468), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 1473, " CA " at (77.853, 75.851, -19.819), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 1474, " C  " at (78.971, 75.548, -20.814), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 1475, " O  " at (79.731, 74.582, -20.623), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 1476, " CB " at (78.444, 76.357, -18.482), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 1477, " CG1" at (77.365, 77.031, -17.645), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 1478, " CG2" at (79.564, 77.277, -18.686), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 1479, " CD1" at (77.879, 77.545, -16.294), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 1480, " N  " at (79.035, 76.338, -21.895), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 1481, " HN " at (78.226, 76.899, -22.161), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 1482, " CA " at (80.246, 76.399, -22.687), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 1483, " C  " at (80.983, 77.696, -22.363), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 1484, " O  " at (80.357, 78.722, -22.033), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 1485, " CB " at (79.999, 76.211, -24.191), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 1486, " OG " at (79.018, 77.067, -24.685), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 1487, " HG " at (78.865, 76.951, -25.615), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 1488, " N  " at (82.308, 77.623, -22.393), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 1489, " HN " at (82.754, 76.731, -22.605), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 1490, " CA " at (83.138, 78.791, -22.129), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 1491, " C  " at (83.976, 79.035, -23.355), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 1492, " O  " at (84.560, 78.121, -23.925), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 1493, " CB " at (84.018, 78.685, -20.839), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 1494, " CG1" at (83.195, 78.962, -19.586), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 1495, " CG2" at (84.668, 77.366, -20.736), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 1496, " N  " at (83.998, 80.277, -23.778), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 1497, " HN " at (83.601, 81.017, -23.199), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 1498, " CA " at (84.577, 80.600, -25.048), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 1499, " C  " at (85.372, 81.874, -24.848), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 1500, " O  " at (84.872, 82.814, -24.257), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 1501, " CB " at (83.468, 80.779, -26.084), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 1502, " CG " at (82.471, 79.609, -26.084), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 1503, " OD1" at (82.847, 78.579, -26.708), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 1504, " OD2" at (81.325, 79.625, -25.478), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 1505, " N  " at (86.607, 81.896, -25.334), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 1506, " CA " at (87.395, 83.131, -25.332), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 1507, " C  " at (86.828, 84.074, -26.380), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 1508, " O  " at (86.356, 83.630, -27.421), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 1509, " CB " at (88.784, 82.680, -25.774), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 1510, " CG " at (88.618, 81.317, -26.379), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 1511, " CD " at (87.291, 80.761, -25.994), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 1512, " N  " at (86.869, 85.364, -26.111), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 1513, " HN " at (87.111, 85.676, -25.171), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 1514, " CA " at (86.572, 86.347, -27.143), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 1515, " C  " at (87.713, 87.358, -27.253), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 1516, " O  " at (88.414, 87.608, -26.279), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 1517, " CB " at (85.215, 87.012, -26.886), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 1518, " CG2" at (85.267, 87.913, -25.644), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 1519, " OG1" at (84.912, 87.902, -27.969), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 1520, " HG1" at (84.071, 88.314, -27.810), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 1521, " N  " at (87.903, 87.913, -28.444), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 1522, " HN " at (87.235, 87.712, -29.188), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 1523, " CA " at (89.026, 88.799, -28.735), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 1524, " C  " at (88.555, 90.174, -29.180), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 1525, " O  " at (87.549, 90.307, -29.885), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 1526, " CB " at (89.909, 88.185, -29.852), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 1527, " CG2" at (91.191, 88.987, -30.062), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 1528, " OG1" at (90.396, 86.904, -29.429), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 1529, " HG1" at (90.937, 86.528, -30.113), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 1530, " N  " at (89.287, 91.191, -28.748), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 1531, " HN " at (89.927, 91.038, -27.969), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 1532, " CA " at (89.212, 92.524, -29.346), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 1533, " C  " at (90.574, 92.829, -30.004), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 1534, " O  " at (91.568, 92.124, -29.757), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 1535, " CB " at (88.843, 93.566, -28.273), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 1536, " CG " at (87.342, 93.864, -28.142), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 1537, " CD " at (86.715, 93.479, -26.783), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 1538, " OE1" at (85.528, 93.057, -26.775), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 1539, " OE2" at (87.378, 93.601, -25.714), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 1540, " N  " at (90.627, 93.859, -30.844), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 1541, " HN " at (89.775, 94.384, -31.043), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 1542, " CA " at (91.880, 94.257, -31.490), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 1543, " C  " at (92.802, 95.072, -30.586), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 1544, " O  " at (93.870, 95.518, -31.017), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 1545, " CB " at (91.589, 95.046, -32.774), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 1546, " CG " at (91.019, 94.168, -33.889), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 1547, " ND2" at (91.797, 94.001, -34.963), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 1548, "1HD2" at (92.718, 94.432, -35.049), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 1549, "2HD2" at (91.417, 93.415, -35.707), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 1550, " OD1" at (89.895, 93.642, -33.784), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 1551, " N  " at (92.380, 95.266, -29.336), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 1552, " HN " at (91.501, 94.842, -29.040), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 1553, " CA " at (93.136, 96.066, -28.377), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 1554, " C  " at (94.453, 95.388, -27.976), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 1555, " O  " at (94.556, 94.155, -28.016), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 1556, " CB " at (92.274, 96.420, -27.151), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 1557, " OG " at (92.201, 95.374, -26.185), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 1558, " HG " at (91.669, 95.592, -25.429), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 1559, " N  " at (95.456, 96.206, -27.642), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 1560, " HN " at (95.319, 97.210, -27.762), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 1561, " CA " at (96.740, 95.741, -27.114), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 1562, " C  " at (96.522, 95.129, -25.716), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 1563, " O  " at (95.655, 95.575, -24.947), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 1564, " CB " at (97.760, 96.907, -27.096), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 1565, " CG " at (99.130, 96.515, -26.483), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 1566, " OD1" at (99.848, 95.681, -27.091), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 1567, " OD2" at (99.578, 97.002, -25.410), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 1568, " N  " at (97.297, 94.092, -25.402), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 1569, " HN " at (98.051, 93.822, -26.033), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 1570, " CA " at (97.086, 93.329, -24.163), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 1571, " C  " at (97.429, 94.192, -22.957), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 1572, " O  " at (97.041, 93.891, -21.854), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 1573, " CB " at (97.928, 92.044, -24.139), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 1574, " CG " at (97.641, 91.095, -25.321), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 1575, " OD1" at (96.478, 90.640, -25.482), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 1576, " OD2" at (98.550, 90.729, -26.117), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 1577, " N  " at (98.174, 95.264, -23.205), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 1578, " HN " at (98.398, 95.469, -24.179), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 1579, " CA " at (98.695, 96.170, -22.184), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 1580, " C  " at (97.845, 97.449, -22.044), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 1581, " O  " at (98.199, 98.338, -21.266), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 1582, " CB " at (100.151, 96.558, -22.516), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 1583, " OG " at (101.091, 95.675, -21.937), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 1584, " HG " at (101.987, 95.914, -22.141), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 1585, " N  " at (96.737, 97.537, -22.783), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 1586, " HN " at (96.430, 96.722, -23.314), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 1587, " CA " at (95.947, 98.771, -22.854), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 1588, " C  " at (95.698, 99.324, -21.454), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 1589, " O  " at (95.891, 100.518, -21.177), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 1590, " CB " at (94.617, 98.532, -23.582), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 1591, " CG " at (93.976, 99.809, -24.121), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 1592, " CD " at (92.879, 99.580, -25.171), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 1593, " OE1" at (91.867, 98.897, -24.819), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 1594, " OE2" at (93.010, 100.115, -26.332), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 1595, " N  " at (95.302, 98.422, -20.571), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 1596, " HN " at (95.114, 97.471, -20.888), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 1597, " CA " at (95.127, 98.739, -19.173), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 1598, " C  " at (96.214, 98.162, -18.247), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 1599, " O  " at (96.056, 98.275, -17.064), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 1600, " CB " at (93.738, 98.277, -18.709), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 1601, " CG " at (92.705, 98.457, -19.775), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 1602, " CD1" at (92.496, 99.729, -20.327), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 1603, " CD2" at (91.989, 97.376, -20.299), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 1604, " CE1" at (91.595, 99.934, -21.328), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 1605, " CE2" at (91.070, 97.575, -21.324), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 1606, " CZ " at (90.876, 98.874, -21.819), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 1607, " OH " at (89.988, 99.185, -22.823), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 1608, " HH " at (89.857, 100.064, -23.158), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 1609, " N  " at (97.276, 97.532, -18.762), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 1610, " HN " at (97.350, 97.393, -19.770), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 1611, " CA " at (98.330, 97.044, -17.874), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 1612, " C  " at (99.044, 98.261, -17.313), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 1613, " O  " at (99.361, 99.222, -18.041), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 1614, " CB " at (99.301, 96.079, -18.562), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 1615, " CG " at (100.204, 95.337, -17.613), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 1616, " CD1" at (99.709, 94.337, -16.774), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 1617, " CD2" at (101.575, 95.607, -17.595), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 1618, " CE1" at (100.582, 93.628, -15.904), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 1619, " CE2" at (102.441, 94.928, -16.733), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 1620, " CZ " at (101.942, 93.933, -15.879), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 1621, " N  " at (99.267, 98.248, -16.009), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 1622, " HN " at (98.908, 97.472, -15.453), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 1623, " CA " at (100.016, 99.317, -15.339), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 1624, " C  " at (101.435, 99.582, -15.855), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 1625, " O  " at (102.260, 98.684, -15.873), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 1626, " CB " at (100.077, 99.035, -13.826), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 1627, " OG " at (100.832, 100.034, -13.145), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 1628, " HG " at (100.870, 99.860, -12.212), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 1629, " N  " at (101.709, 100.831, -16.228), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 1630, " HN " at (100.974, 101.536, -16.177), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 1631, " CA " at (103.051, 101.224, -16.714), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 1632, " C  " at (104.069, 101.279, -15.556), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 1633, " O  " at (105.274, 101.476, -15.763), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 1634, " CB " at (102.998, 102.577, -17.429), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 1635, " CG " at (102.704, 103.738, -16.484), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 1636, " CD " at (102.492, 105.070, -17.191), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 1637, " NE2" at (101.228, 105.527, -17.245), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 1638, "1HE2" at (100.434, 105.018, -16.855), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 1639, "2HE2" at (101.086, 106.419, -17.719), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 1640, " OE1" at (103.447, 105.682, -17.660), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 1641, " N  " at (103.566, 101.084, -14.339), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 1642, " HN " at (102.573, 100.871, -14.249), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 1643, " CA " at (104.379, 101.163, -13.127), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 1644, " C  " at (104.669, 99.806, -12.520), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 1645, " O  " at (105.399, 99.695, -11.559), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 1646, " CB " at (103.727, 102.070, -12.082), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 1647, " CG " at (103.463, 103.471, -12.606), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 1648, " CD1" at (104.495, 104.272, -13.073), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 1649, " CD2" at (102.162, 103.968, -12.681), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 1650, " CE1" at (104.245, 105.551, -13.581), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 1651, " CE2" at (101.897, 105.258, -13.188), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 1652, " CZ " at (102.939, 106.023, -13.636), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 1653, " OH " at (102.685, 107.270, -14.128), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 1654, " HH " at (101.792, 107.593, -14.166), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 1655, " N  " at (104.102, 98.761, -13.094), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 1656, " HN " at (103.327, 98.903, -13.742), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 1657, " CA " at (104.561, 97.419, -12.819), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 1658, " C  " at (106.060, 97.202, -13.102), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 1659, " O  " at (106.640, 97.889, -13.919), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 1660, " CB " at (103.727, 96.422, -13.632), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 1661, " OG " at (104.068, 95.106, -13.278), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 1662, " HG " at (103.551, 94.488, -13.782), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 1663, " N  " at (106.645, 96.232, -12.400), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 1664, " HN " at (106.093, 95.773, -11.675), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 1665, " CA " at (108.022, 95.778, -12.595), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 1666, " C  " at (108.123, 94.793, -13.753), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 1667, " O  " at (109.216, 94.388, -14.167), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 1668, " CB " at (108.457, 95.029, -11.347), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 1669, " CG " at (109.355, 95.788, -10.402), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 1670, " CD " at (109.811, 94.890, -9.236), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 1671, " NE " at (108.659, 94.154, -8.704), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 1672, " HE " at (107.729, 94.496, -8.948), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 1673, " CZ " at (108.732, 93.066, -7.921), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 1674, " NH1" at (109.927, 92.567, -7.566), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 1675, "1HH1" at (110.787, 93.005, -7.895), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 1676, "2HH1" at (109.982, 91.740, -6.971), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 1677, " NH2" at (107.596, 92.487, -7.486), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 1678, "1HH2" at (106.688, 92.866, -7.756), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 1679, "2HH2" at (107.651, 91.660, -6.891), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 1680, " N  " at (106.955, 94.383, -14.236), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 1681, " HN " at (106.100, 94.743, -13.811), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 1682, " CA " at (106.836, 93.437, -15.352), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 1683, " C  " at (106.178, 94.091, -16.562), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 1684, " O  " at (105.509, 95.111, -16.425), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 1685, " CB " at (106.063, 92.191, -14.918), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 1686, " CG " at (106.592, 91.590, -13.667), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 1687, " CD1" at (106.208, 92.087, -12.437), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 1688, " CD2" at (107.495, 90.540, -13.717), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 1689, " CE1" at (106.716, 91.575, -11.290), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 1690, " CE2" at (108.003, 90.000, -12.551), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 1691, " CZ " at (107.624, 90.541, -11.331), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 1692, " N  " at (106.432, 93.515, -17.733), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 1693, " HN " at (107.114, 92.757, -17.757), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 1694, " CA " at (105.797, 93.900, -18.976), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 1695, " C  " at (105.210, 92.642, -19.614), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 1696, " O  " at (105.724, 91.527, -19.425), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 1697, " CB " at (106.775, 94.600, -19.922), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 1698, " CG " at (108.036, 93.818, -20.277), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 1699, " CD " at (108.980, 94.586, -21.192), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 1700, " OE1" at (108.536, 95.567, -21.807), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 1701, " OE2" at (110.176, 94.225, -21.305), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 1702, " N  " at (104.103, 92.826, -20.333), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 1703, " HN " at (103.715, 93.766, -20.405), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 1704, " CA " at (103.430, 91.738, -21.017), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 1705, " C  " at (103.916, 91.682, -22.443), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 1706, " O  " at (103.938, 92.694, -23.135), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 1707, " CB " at (101.927, 91.955, -20.953), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 1708, " CG1" at (101.467, 91.837, -19.499), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 1709, " CG2" at (101.185, 90.975, -21.866), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 1710, " CD1" at (100.029, 92.149, -19.316), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 1711, " N  " at (104.329, 90.495, -22.863), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 1712, " HN " at (104.320, 89.715, -22.206), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 1713, " CA " at (104.794, 90.255, -24.218), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 1714, " C  " at (103.656, 89.776, -25.103), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 1715, " O  " at (103.556, 90.168, -26.261), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 1716, " CB " at (105.934, 89.239, -24.217), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 1717, " CG " at (107.129, 89.632, -23.351), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 1718, " CD1" at (108.161, 88.504, -23.314), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 1719, " CD2" at (107.763, 90.930, -23.862), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 1720, " N  " at (102.803, 88.930, -24.546), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 1721, " HN " at (102.923, 88.689, -23.562), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 1722, " CA " at (101.698, 88.329, -25.286), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 1723, " C  " at (100.678, 87.678, -24.352), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 1724, " O  " at (101.032, 87.149, -23.304), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 1725, " CB " at (102.230, 87.269, -26.255), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 1726, " CG " at (101.441, 87.207, -27.550), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 1727, " OD1" at (100.325, 87.792, -27.613), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 1728, " OD2" at (101.873, 86.601, -28.576), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 1729, " N  " at (99.411, 87.742, -24.753), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 1730, " HN " at (99.190, 88.342, -25.548), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 1731, " CA " at (98.311, 87.002, -24.121), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 1732, " C  " at (97.581, 86.184, -25.207), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 1733, " O  " at (97.085, 86.766, -26.177), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 1734, " CB " at (97.303, 87.944, -23.379), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 1735, " CG1" at (96.206, 87.169, -22.664), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 1736, " CG2" at (98.017, 88.834, -22.370), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 1737, " N  " at (97.566, 84.848, -25.058), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 1738, " HN " at (98.112, 84.433, -24.303), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 1739, " CA " at (96.792, 83.959, -25.943), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 1740, " C  " at (95.832, 83.074, -25.126), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 1741, " O  " at (96.004, 82.924, -23.927), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 1742, " CB " at (97.688, 83.056, -26.807), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 1743, " CG2" at (98.567, 83.856, -27.759), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 1744, " OG1" at (98.637, 82.371, -25.987), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 1745, " HG1" at (99.191, 81.813, -26.521), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 1746, " N  " at (94.853, 82.460, -25.795), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 1747, " HN " at (94.806, 82.560, -26.809), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 1748, " CA " at (93.845, 81.648, -25.112), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 1749, " C  " at (93.416, 80.437, -25.909), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 1750, " O  " at (93.268, 80.507, -27.119), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 1751, " CB " at (92.621, 82.487, -24.786), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 1752, " CG " at (92.614, 83.792, -25.520), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 1753, " CD " at (92.119, 84.923, -24.665), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 1754, " NE2" at (92.032, 86.121, -25.252), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 1755, "1HE2" at (91.696, 86.889, -24.671), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 1756, "2HE2" at (92.290, 86.287, -26.225), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 1757, " OE1" at (91.807, 84.722, -23.487), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 1758, " N  " at (93.206, 79.329, -25.213), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 1759, " HN " at (93.281, 79.373, -24.197), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 1760, " CA " at (92.870, 78.040, -25.834), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 1761, " C  " at (91.613, 77.563, -25.133), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 1762, " O  " at (91.463, 77.796, -23.941), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 1763, " CB " at (94.000, 77.036, -25.589), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 1764, " CG " at (94.133, 75.909, -26.618), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 1765, " CD " at (95.234, 74.888, -26.190), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 1766, " CE " at (94.978, 73.450, -26.752), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 1767, " NZ " at (95.735, 73.147, -28.033), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 1768, " HZ1" at (95.568, 72.210, -28.399), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 1769, " HZ2" at (96.734, 73.310, -27.907), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 1770, " HZ3" at (95.534, 73.851, -28.743), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 1771, " N  " at (90.724, 76.907, -25.856), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 1772, " HN " at (90.873, 76.800, -26.859), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 1773, " CA " at (89.543, 76.339, -25.248), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 1774, " C  " at (89.823, 74.859, -25.041), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 1775, " O  " at (90.475, 74.242, -25.868), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 1776, " CB " at (88.311, 76.572, -26.138), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 1777, " CG " at (87.306, 75.431, -26.083), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 1778, " CD " at (86.024, 75.751, -26.797), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 1779, " CE " at (84.842, 75.486, -25.895), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 1780, " NZ " at (83.650, 75.903, -26.636), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 1781, " HZ1" at (82.852, 75.724, -26.027), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 1782, " HZ2" at (83.567, 75.459, -27.550), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 1783, " HZ3" at (83.697, 76.867, -26.967), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 1784, " N  " at (89.391, 74.300, -23.912), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 1785, " HN " at (88.978, 74.884, -23.185), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 1786, " CA " at (89.503, 72.870, -23.707), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 1787, " C  " at (88.257, 72.254, -23.160), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 1788, " O  " at (87.419, 72.931, -22.605), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 1789, " CB " at (90.631, 72.552, -22.750), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 1790, " CG " at (91.924, 73.147, -23.183), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 1791, " ND2" at (92.369, 74.174, -22.445), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 1792, "1HD2" at (91.870, 74.533, -21.631), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 1793, "2HD2" at (93.255, 74.582, -22.742), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 1794, " OD1" at (92.529, 72.711, -24.171), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 1795, " N  " at (88.170, 70.946, -23.320), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 1796, " HN " at (88.929, 70.473, -23.811), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 1797, " CA " at (87.059, 70.136, -22.840), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 1798, " C  " at (87.710, 69.000, -22.066), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 1799, " O  " at (88.398, 68.169, -22.651), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 1800, " CB " at (86.235, 69.594, -24.026), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 1801, " OG " at (84.834, 69.699, -23.790), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 1802, " HG " at (84.327, 69.365, -24.520), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 1803, " N  " at (87.538, 68.993, -20.745), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 1804, " HN " at (86.942, 69.694, -20.305), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 1805, " CA " at (88.201, 67.984, -19.928), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 1806, " C  " at (87.216, 67.126, -19.119), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 1807, " O  " at (86.193, 67.610, -18.664), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 1808, " CB " at (89.248, 68.633, -18.993), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 1809, " CG1" at (90.091, 67.553, -18.261), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 1810, " CG2" at (90.155, 69.555, -19.782), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 1811, " N  " at (87.574, 65.861, -18.940), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 1812, " HN " at (88.432, 65.549, -19.395), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 1813, " CA " at (86.835, 64.869, -18.138), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 1814, " C  " at (87.685, 64.577, -16.903), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 1815, " O  " at (88.883, 64.340, -17.010), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 1816, " CB " at (86.628, 63.610, -18.999), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 1817, " CG2" at (85.863, 62.504, -18.287), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 1818, " OG1" at (85.757, 63.949, -20.070), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 1819, " HG1" at (86.235, 64.640, -20.515), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 1820, " N  " at (87.074, 64.664, -15.730), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 1821, " HN " at (86.073, 64.860, -15.704), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 1822, " CA " at (87.799, 64.486, -14.471), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 1823, " C  " at (87.389, 63.152, -13.883), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 1824, " O  " at (86.474, 62.538, -14.370), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 1825, " CB " at (87.513, 65.660, -13.510), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 1826, " CG " at (87.993, 66.955, -14.112), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 1827, " CD1" at (87.146, 67.738, -14.889), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 1828, " CD2" at (89.327, 67.349, -13.988), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 1829, " CE1" at (87.596, 68.911, -15.461), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 1830, " CE2" at (89.788, 68.523, -14.576), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 1831, " CZ " at (88.910, 69.293, -15.314), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 1832, " OH " at (89.356, 70.436, -15.924), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 1833, " HH " at (90.263, 70.700, -15.823), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 1834, " N  " at (88.046, 62.708, -12.826), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 1835, " HN " at (88.701, 63.315, -12.333), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 1836, " CA " at (87.823, 61.337, -12.371), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 1837, " C  " at (86.507, 61.216, -11.630), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 1838, " O  " at (85.846, 60.176, -11.701), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 1839, " CB " at (89.012, 60.819, -11.556), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 1840, " OG " at (89.857, 60.010, -12.394), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 1841, " HG " at (90.594, 59.689, -11.889), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 1842, " N  " at (86.106, 62.317, -10.993), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 1843, " HN " at (86.667, 63.164, -11.086), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 1844, " CA " at (84.895, 62.368, -10.165), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 1845, " C  " at (83.584, 62.085, -10.922), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 1846, " O  " at (82.575, 61.645, -10.324), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 1847, " CB " at (84.777, 63.784, -9.580), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 1848, " SG " at (84.344, 64.989, -10.871), DEBUG: found_parm->rec_index = 5 was assigned atom type "SA" (rec_index= 5, atom_type= 5).
-Atom no. 1849, " N  " at (83.596, 62.396, -12.223), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 1850, " HN " at (84.496, 62.500, -12.691), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 1851, " CA " at (82.372, 62.594, -13.005), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 1852, " C  " at (82.523, 62.116, -14.454), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 1853, " O  " at (83.628, 62.188, -15.013), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 1854, " CB " at (82.020, 64.086, -12.996), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 1855, " SG " at (82.328, 64.873, -11.403), DEBUG: found_parm->rec_index = 5 was assigned atom type "SA" (rec_index= 5, atom_type= 5).
-Atom no. 1856, " N  " at (81.435, 61.617, -15.051), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 1857, " CA " at (81.452, 61.132, -16.441), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 1858, " C  " at (81.304, 62.213, -17.536), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 1859, " O  " at (81.356, 61.896, -18.725), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 1860, " CB " at (80.245, 60.173, -16.479), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 1861, " CG " at (79.258, 60.810, -15.518), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 1862, " CD " at (80.114, 61.407, -14.415), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 1863, " N  " at (81.145, 63.478, -17.171), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 1864, " HN " at (81.190, 63.751, -16.189), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 1865, " CA " at (80.902, 64.472, -18.220), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 1866, " C  " at (82.125, 65.331, -18.514), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 1867, " O  " at (83.041, 65.394, -17.705), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 1868, " CB " at (79.659, 65.316, -17.908), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 1869, " CG " at (78.337, 64.595, -18.133), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 1870, " CD " at (78.074, 64.219, -19.600), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 1871, " OE1" at (77.426, 65.021, -20.323), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 1872, " OE2" at (78.500, 63.114, -20.036), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 1873, " N  " at (82.146, 65.952, -19.693), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 1874, " HN " at (81.397, 65.766, -20.360), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 1875, " CA " at (83.201, 66.887, -20.062), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 1876, " C  " at (82.873, 68.285, -19.538), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 1877, " O  " at (81.731, 68.738, -19.601), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 1878, " CB " at (83.397, 66.915, -21.557), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 1879, " N  " at (83.883, 68.963, -19.009), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 1880, " HN " at (84.790, 68.506, -18.912), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 1881, " CA " at (83.734, 70.357, -18.557), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 1882, " C  " at (84.618, 71.217, -19.395), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 1883, " O  " at (85.788, 70.855, -19.648), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 1884, " CB " at (84.137, 70.484, -17.108), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 1885, " CG " at (83.221, 69.753, -16.198), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 1886, " CD1" at (83.332, 68.372, -16.026), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 1887, " CD2" at (82.219, 70.427, -15.517), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 1888, " CE1" at (82.464, 67.678, -15.188), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 1889, " CE2" at (81.357, 69.752, -14.679), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 1890, " CZ " at (81.489, 68.374, -14.516), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 1891, " OH " at (80.629, 67.675, -13.713), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 1892, " HH " at (79.955, 68.156, -13.248), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 1893, " N  " at (84.073, 72.346, -19.861), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 1894, " HN " at (83.101, 72.567, -19.644), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 1895, " CA " at (84.870, 73.274, -20.688), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 1896, " C  " at (85.698, 74.227, -19.854), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 1897, " O  " at (85.295, 74.626, -18.773), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 1898, " CB " at (83.992, 74.022, -21.695), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 1899, " CG " at (83.292, 73.067, -22.650), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 1900, " CD " at (82.622, 73.759, -23.807), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 1901, " OE1" at (82.735, 75.008, -23.892), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 1902, " OE2" at (82.007, 73.039, -24.637), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 1903, " N  " at (86.880, 74.566, -20.355), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 1904, " HN " at (87.233, 74.076, -21.177), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 1905, " CA " at (87.677, 75.613, -19.761), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 1906, " C  " at (88.300, 76.516, -20.829), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 1907, " O  " at (88.395, 76.144, -21.990), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 1908, " CB " at (88.719, 75.038, -18.821), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 1909, " CG " at (89.817, 74.297, -19.537), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 1910, " OD1" at (90.678, 74.951, -20.187), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 1911, " OD2" at (89.917, 73.033, -19.484), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 1912, " N  " at (88.661, 77.733, -20.436), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 1913, " HN " at (88.315, 78.108, -19.553), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 1914, " CA " at (89.555, 78.533, -21.272), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 1915, " C  " at (90.892, 78.592, -20.552), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 1916, " O  " at (90.916, 78.895, -19.347), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 1917, " CB " at (89.006, 79.974, -21.484), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 1918, " CG1" at (90.071, 80.853, -22.178), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 1919, " CG2" at (87.732, 79.895, -22.320), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 1920, " N  " at (91.968, 78.295, -21.264), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 1921, " HN " at (91.837, 77.886, -22.189), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 1922, " CA " at (93.342, 78.523, -20.791), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 1923, " C  " at (93.887, 79.845, -21.295), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 1924, " O  " at (93.952, 80.093, -22.500), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 1925, " CB " at (94.301, 77.383, -21.194), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 1926, " CG " at (94.277, 76.246, -20.183), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 1927, " CD " at (94.866, 74.913, -20.677), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 1928, " OE1" at (95.516, 74.855, -21.773), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 1929, " OE2" at (94.665, 73.906, -19.935), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 1930, " N  " at (94.268, 80.704, -20.362), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 1931, " HN " at (94.171, 80.457, -19.377), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 1932, " CA " at (94.821, 81.991, -20.730), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 1933, " C  " at (96.334, 82.017, -20.505), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 1934, " O  " at (96.807, 81.877, -19.396), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 1935, " CB " at (94.118, 83.161, -19.992), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 1936, " CG1" at (94.735, 84.464, -20.397), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 1937, " CG2" at (92.626, 83.164, -20.318), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 1938, " N  " at (97.091, 82.199, -21.583), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 1939, " HN " at (96.652, 82.391, -22.484), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 1940, " CA " at (98.553, 82.126, -21.485), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 1941, " C  " at (99.159, 83.521, -21.481), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 1942, " O  " at (99.065, 84.240, -22.467), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 1943, " CB " at (99.131, 81.250, -22.606), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 1944, " OG " at (98.749, 79.892, -22.367), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 1945, " HG " at (99.107, 79.350, -23.061), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 1946, " N  " at (99.722, 83.896, -20.342), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 1947, " HN " at (99.775, 83.218, -19.582), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 1948, " CA " at (100.269, 85.226, -20.120), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 1949, " C  " at (101.769, 85.110, -20.293), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 1950, " O  " at (102.441, 84.443, -19.489), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 1951, " CB " at (99.913, 85.720, -18.702), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 1952, " CG " at (100.582, 87.014, -18.185), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 1953, " CD1" at (100.132, 88.172, -19.000), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 1954, " CD2" at (100.276, 87.269, -16.706), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 1955, " N  " at (102.285, 85.713, -21.365), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 1956, " HN " at (101.656, 86.175, -22.021), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 1957, " CA " at (103.720, 85.733, -21.630), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 1958, " C  " at (104.255, 87.068, -21.137), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 1959, " O  " at (103.895, 88.131, -21.660), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 1960, " CB " at (104.002, 85.508, -23.124), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 1961, " CG " at (105.502, 85.467, -23.479), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 1962, " ND2" at (106.349, 85.021, -22.550), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 1963, "1HD2" at (106.039, 84.733, -21.622), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 1964, "2HD2" at (107.341, 84.994, -22.785), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 1965, " OD1" at (105.877, 85.816, -24.602), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 1966, " N  " at (105.106, 87.021, -20.113), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 1967, " HN " at (105.444, 86.119, -19.778), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 1968, " CA " at (105.556, 88.244, -19.470), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 1969, " C  " at (106.983, 88.122, -19.017), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 1970, " O  " at (107.505, 87.010, -18.866), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 1971, " CB " at (104.621, 88.635, -18.292), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 1972, " CG " at (104.772, 87.766, -17.072), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 1973, " CD1" at (104.271, 86.460, -17.062), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 1974, " CD2" at (105.411, 88.249, -15.931), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 1975, " CE1" at (104.421, 85.645, -15.952), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 1976, " CE2" at (105.554, 87.439, -14.812), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 1977, " CZ " at (105.064, 86.136, -14.817), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 1978, " N  " at (107.614, 89.276, -18.810), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 1979, " HN " at (107.141, 90.151, -19.035), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 1980, " CA " at (108.958, 89.314, -18.272), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 1981, " C  " at (109.177, 90.487, -17.340), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 1982, " O  " at (108.383, 91.423, -17.300), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 1983, " CB " at (109.953, 89.400, -19.408), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 1984, " CG " at (110.056, 90.758, -20.053), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 1985, " CD " at (111.159, 90.797, -21.116), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 1986, " NE " at (110.987, 91.957, -21.971), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 1987, " HE " at (110.630, 92.808, -21.537), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 1988, " CZ " at (111.254, 92.003, -23.265), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 1989, " NH1" at (111.753, 90.941, -23.908), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 1990, "1HH1" at (111.959, 90.976, -24.906), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 1991, "2HH1" at (111.913, 90.065, -23.411), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 1992, " NH2" at (111.046, 93.140, -23.910), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 1993, "1HH2" at (111.252, 93.175, -24.908), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 1994, "2HH2" at (110.666, 93.950, -23.420), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 1995, " N  " at (110.281, 90.431, -16.609), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 1996, " HN " at (110.882, 89.610, -16.683), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 1997, " CA " at (110.659, 91.498, -15.709), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 1998, " C  " at (111.206, 92.647, -16.526), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 1999, " O  " at (111.949, 92.427, -17.459), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 2000, " CB " at (111.756, 91.014, -14.771), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 2001, " CG " at (111.267, 90.627, -13.394), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 2002, " CD " at (112.463, 90.334, -12.493), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 2003, " CE " at (112.334, 91.013, -11.124), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 2004, " NZ " at (113.665, 91.154, -10.433), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 2005, " HZ1" at (113.579, 91.606, -9.522), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 2006, " HZ2" at (114.339, 91.640, -11.025), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 2007, " HZ3" at (114.138, 90.254, -10.356), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 2008, " N  " at (110.827, 93.873, -16.191), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 2009, " HN " at (110.148, 94.014, -15.443), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 2010, " CA " at (111.386, 95.013, -16.897), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 2011, " C  " at (112.856, 95.086, -16.564), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 2012, " O  " at (113.313, 94.447, -15.606), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 2013, " CB " at (110.709, 96.320, -16.493), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 2014, " CG " at (109.212, 96.380, -16.795), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 2015, " CD " at (108.806, 97.855, -16.862), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 2016, " CE " at (107.332, 98.009, -17.003), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 2017, " NZ " at (106.814, 99.076, -16.088), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 2018, " HZ1" at (105.804, 99.182, -16.185), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 2019, " HZ2" at (107.300, 99.962, -16.229), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 2020, " HZ3" at (107.083, 98.904, -15.119), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 2021, " N  " at (113.597, 95.843, -17.368), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 2022, " HN " at (113.200, 96.191, -18.241), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 2023, " CA " at (114.966, 96.180, -17.016), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 2024, " C  " at (114.924, 96.670, -15.574), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 2025, " O  " at (114.045, 97.459, -15.215), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 2026, " N  " at (115.829, 96.175, -14.741), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 2027, " HN " at (116.504, 95.492, -15.084), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 2028, " CA " at (115.878, 96.588, -13.346), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 2029, " C  " at (116.187, 98.093, -13.144), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 2030, " O  " at (115.893, 98.635, -12.074), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 2031, " CB " at (116.874, 95.723, -12.568), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 2032, " CG " at (118.293, 96.226, -12.625), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 2033, " CD " at (119.332, 95.166, -12.279), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 2034, " NE " at (118.746, 94.076, -11.513), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 2035, " HE " at (118.011, 93.526, -11.958), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 2036, " CZ " at (119.099, 93.747, -10.279), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 2037, " NH1" at (120.074, 94.411, -9.658), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 2038, "1HH1" at (120.545, 95.194, -10.112), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 2039, "2HH1" at (120.346, 94.158, -8.708), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 2040, " NH2" at (118.481, 92.719, -9.683), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 2041, "1HH2" at (117.735, 92.211, -10.158), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 2042, "2HH2" at (118.753, 92.466, -8.733), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 2043, " N  " at (116.746, 98.757, -14.158), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 2044, " HN " at (116.919, 98.267, -15.036), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 2045, " CA " at (117.121, 100.178, -14.045), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 2046, " C  " at (116.100, 101.140, -14.670), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 2047, " O  " at (114.966, 100.741, -14.981), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 2048, " CB " at (118.499, 100.409, -14.659), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 2049, " OG " at (118.430, 100.195, -16.049), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 2050, " HG " at (119.288, 100.339, -16.431), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 2051, " N  " at (56.879, 66.860, -16.552), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 2052, " HN1" at (56.902, 66.478, -15.606), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 2053, " HN2" at (56.675, 66.136, -17.241), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 2054, " HN3" at (56.060, 67.450, -16.695), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 2055, " CA " at (58.136, 67.586, -16.883), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 2056, " C  " at (58.360, 68.653, -15.810), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 2057, " O  " at (57.523, 69.522, -15.586), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 2058, " CB " at (58.101, 68.167, -18.322), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 2059, " CG " at (59.272, 69.078, -18.716), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 2060, " CD " at (59.852, 68.838, -20.127), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 2061, " OE1" at (59.209, 68.189, -21.000), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 2062, " OE2" at (60.991, 69.318, -20.371), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 2063, " N  " at (59.468, 68.523, -15.098), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 2064, " HN " at (59.966, 67.633, -15.098), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 2065, " CA " at (59.980, 69.625, -14.322), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 2066, " C  " at (61.124, 70.199, -15.119), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 2067, " O  " at (61.924, 69.454, -15.675), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 2068, " CB " at (60.559, 69.172, -12.979), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 2069, " CG " at (59.634, 68.337, -12.165), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 2070, " CD1" at (58.483, 68.885, -11.603), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 2071, " CD2" at (59.919, 66.997, -11.949), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 2072, " CE1" at (57.607, 68.108, -10.851), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 2073, " CE2" at (59.068, 66.195, -11.187), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 2074, " CZ " at (57.906, 66.747, -10.630), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 2075, " N  " at (61.228, 71.513, -15.165), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 2076, " HN " at (60.459, 72.102, -14.845), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 2077, " CA " at (62.452, 72.116, -15.677), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 2078, " C  " at (63.379, 72.455, -14.500), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 2079, " O  " at (62.986, 72.286, -13.328), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 2080, " CB " at (62.138, 73.336, -16.558), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 2081, " CG " at (61.445, 74.463, -15.789), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 2082, " OD1" at (61.507, 74.520, -14.530), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 2083, " OD2" at (60.817, 75.358, -16.368), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 2084, " N  " at (64.599, 72.909, -14.801), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 2085, " HN " at (64.857, 73.037, -15.779), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 2086, " CA " at (65.570, 73.225, -13.758), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 2087, " C  " at (65.048, 74.218, -12.723), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 2088, " O  " at (65.280, 74.073, -11.518), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 2089, " CB " at (66.846, 73.787, -14.359), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 2090, " CG " at (67.863, 72.749, -14.723), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 2091, " CD " at (68.820, 73.213, -15.825), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 2092, " NE " at (69.689, 72.110, -16.221), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 2093, " HE " at (70.427, 71.839, -15.571), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 2094, " CZ " at (69.598, 71.428, -17.361), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 2095, " NH1" at (68.674, 71.728, -18.286), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 2096, "1HH1" at (68.018, 72.489, -18.113), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 2097, "2HH1" at (68.604, 71.206, -19.159), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 2098, " NH2" at (70.452, 70.437, -17.586), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 2099, "1HH2" at (71.155, 70.209, -16.883), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 2100, "2HH2" at (70.382, 69.915, -18.459), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 2101, " N  " at (64.328, 75.227, -13.179), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 2102, " HN " at (64.201, 75.343, -14.184), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 2103, " CA " at (63.714, 76.174, -12.261), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 2104, " C  " at (62.792, 75.511, -11.246), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 2105, " O  " at (62.877, 75.838, -10.075), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 2106, " CB " at (62.985, 77.294, -13.038), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 2107, " N  " at (61.935, 74.591, -11.696), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 2108, " HN " at (61.913, 74.406, -12.699), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 2109, " CA " at (61.021, 73.829, -10.832), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 2110, " C  " at (61.759, 72.963, -9.855), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 2111, " O  " at (61.436, 72.995, -8.673), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 2112, " CB " at (60.083, 72.940, -11.641), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 2113, " CG " at (59.186, 73.729, -12.561), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 2114, " OD1" at (58.886, 74.892, -12.214), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 2115, " OD2" at (58.728, 73.279, -13.653), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 2116, " N  " at (62.752, 72.209, -10.343), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 2117, " HN " at (62.933, 72.216, -11.347), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 2118, " CA " at (63.594, 71.365, -9.466), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 2119, " C  " at (64.207, 72.215, -8.349), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 2120, " O  " at (64.065, 71.914, -7.186), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 2121, " CB " at (64.677, 70.581, -10.289), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 2122, " CG1" at (64.001, 69.590, -11.245), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 2123, " CG2" at (65.595, 69.777, -9.381), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 2124, " CD1" at (64.888, 69.180, -12.435), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 2125, " N  " at (64.851, 73.306, -8.717), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 2126, " HN " at (64.853, 73.574, -9.701), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 2127, " CA " at (65.555, 74.133, -7.760), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 2128, " C  " at (64.628, 74.869, -6.806), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 2129, " O  " at (64.961, 75.039, -5.636), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 2130, " CB " at (66.528, 75.112, -8.460), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 2131, " CG " at (67.723, 74.389, -9.093), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 2132, " CD1" at (68.228, 75.176, -10.298), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 2133, " CD2" at (68.836, 74.178, -8.080), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 2134, " N  " at (63.453, 75.251, -7.298), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 2135, " HN " at (63.278, 75.141, -8.297), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 2136, " CA " at (62.403, 75.823, -6.457), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 2137, " C  " at (61.975, 74.817, -5.389), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 2138, " O  " at (61.970, 75.143, -4.201), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 2139, " CB " at (61.202, 76.258, -7.331), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 2140, " CG " at (60.027, 76.843, -6.572), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 2141, " CD1" at (60.105, 78.107, -5.961), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 2142, " CD2" at (58.831, 76.136, -6.466), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 2143, " CE1" at (59.019, 78.644, -5.247), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 2144, " CE2" at (57.728, 76.663, -5.761), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 2145, " CZ " at (57.833, 77.912, -5.153), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 2146, " OH " at (56.749, 78.438, -4.478), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 2147, " HH " at (55.942, 77.940, -4.414), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 2148, " N  " at (61.647, 73.596, -5.817), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 2149, " HN " at (61.735, 73.383, -6.811), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 2150, " CA " at (61.167, 72.553, -4.913), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 2151, " C  " at (62.212, 72.188, -3.841), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 2152, " O  " at (61.883, 72.103, -2.670), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 2153, " CB " at (60.696, 71.326, -5.707), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 2154, " CG " at (59.418, 71.600, -6.509), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 2155, " ND2" at (59.109, 70.734, -7.454), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 2156, "1HD2" at (58.259, 70.916, -7.987), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 2157, "2HD2" at (59.677, 69.907, -7.638), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 2158, " OD1" at (58.734, 72.596, -6.288), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 2159, " N  " at (63.477, 72.045, -4.243), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 2160, " HN " at (63.689, 72.090, -5.240), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 2161, " CA " at (64.562, 71.826, -3.297), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 2162, " C  " at (64.677, 72.993, -2.293), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 2163, " O  " at (64.716, 72.792, -1.074), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 2164, " CB " at (65.906, 71.631, -4.056), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 2165, " CG1" at (65.893, 70.286, -4.818), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 2166, " CG2" at (67.110, 71.750, -3.087), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 2167, " CD1" at (67.127, 70.058, -5.656), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 2168, " N  " at (64.781, 74.202, -2.820), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 2169, " HN " at (64.759, 74.314, -3.834), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 2170, " CA " at (64.926, 75.372, -1.971), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 2171, " C  " at (63.748, 75.535, -1.000), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 2172, " O  " at (63.959, 75.742, 0.179), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 2173, " CB " at (65.082, 76.611, -2.845), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 2174, " CG " at (65.252, 77.889, -2.062), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 2175, " CD " at (65.007, 79.139, -2.887), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 2176, " NE " at (65.511, 79.010, -4.260), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 2177, " HE " at (66.490, 78.754, -4.386), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 2178, " CZ " at (64.769, 79.206, -5.357), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 2179, " NH1" at (63.476, 79.525, -5.237), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 2180, "1HH1" at (63.054, 79.624, -4.314), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 2181, "2HH1" at (62.911, 79.674, -6.073), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 2182, " NH2" at (65.323, 79.076, -6.570), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 2183, "1HH2" at (66.309, 78.833, -6.662), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 2184, "2HH2" at (64.758, 79.225, -7.406), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 2185, " N  " at (62.517, 75.398, -1.496), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 2186, " HN " at (62.400, 75.129, -2.473), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 2187, " CA " at (61.322, 75.626, -0.664), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 2188, " C  " at (61.130, 74.593, 0.405), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 2189, " O  " at (60.514, 74.884, 1.429), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 2190, " CB " at (60.056, 75.700, -1.510), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 2191, " CG " at (60.025, 76.906, -2.457), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 2192, " CD " at (60.012, 78.255, -1.738), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 2193, " NE2" at (60.904, 79.153, -2.134), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 2194, "1HE2" at (60.895, 80.053, -1.654), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 2195, "2HE2" at (61.588, 78.966, -2.868), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 2196, " OE1" at (59.189, 78.480, -0.855), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 2197, " N  " at (61.660, 73.395, 0.202), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 2198, " HN " at (62.232, 73.228, -0.626), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 2199, " CA " at (61.429, 72.302, 1.165), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 2200, " C  " at (62.687, 71.922, 1.869), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 2201, " O  " at (62.671, 71.010, 2.698), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 2202, " CB " at (60.832, 71.037, 0.477), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 2203, " CG2" at (59.574, 71.422, -0.323), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 2204, " OG1" at (61.745, 70.552, -0.524), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 2205, " HG1" at (62.521, 70.314, -0.030), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 2206, " N  " at (63.775, 72.634, 1.558), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 2207, " HN " at (63.675, 73.454, 0.959), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 2208, " CA " at (65.113, 72.270, 2.054), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 2209, " C  " at (65.156, 72.402, 3.566), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 2210, " O  " at (64.597, 73.385, 4.131), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 2211, " CB " at (66.174, 73.212, 1.467), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 2212, " OG " at (66.013, 74.549, 1.962), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 2213, " HG " at (66.669, 75.132, 1.599), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 2214, " N  " at (65.781, 71.414, 4.215), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 2215, " HN " at (66.127, 70.610, 3.692), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 2216, " CA " at (65.975, 71.468, 5.652), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 2217, " C  " at (67.437, 71.199, 5.898), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 2218, " O  " at (67.813, 70.120, 6.322), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 2219, " CB " at (65.080, 70.459, 6.372), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 2220, " CG " at (63.570, 70.823, 6.328), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 2221, " CD " at (63.169, 71.916, 7.339), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 2222, " NE " at (63.732, 71.666, 8.678), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 2223, " HE " at (64.627, 72.099, 8.907), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 2224, " CZ " at (63.145, 70.906, 9.615), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 2225, " NH1" at (61.970, 70.330, 9.390), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 2226, "1HH1" at (61.524, 69.752, 10.102), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 2227, "2HH1" at (61.521, 70.446, 8.482), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 2228, " NH2" at (63.726, 70.756, 10.790), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 2229, "1HH2" at (63.280, 70.178, 11.502), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 2230, "2HH2" at (64.629, 71.198, 10.963), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 2231, " N  " at (68.263, 72.222, 5.683), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 2232, " CA " at (69.720, 72.040, 5.697), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 2233, " C  " at (70.223, 71.664, 7.070), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 2234, " O  " at (71.346, 71.186, 7.187), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 2235, " CB " at (70.256, 73.414, 5.285), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 2236, " CG " at (69.026, 74.141, 4.718), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 2237, " CD " at (67.868, 73.632, 5.498), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 2238, " N  " at (69.396, 71.887, 8.090), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 2239, " HN " at (68.488, 72.312, 7.902), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 2240, " CA " at (69.740, 71.547, 9.460), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 2241, " C  " at (69.519, 70.036, 9.758), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 2242, " O  " at (69.867, 69.561, 10.834), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 2243, " CB " at (68.888, 72.409, 10.422), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 2244, " CG " at (67.358, 72.461, 10.008), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 2245, " OD1" at (67.006, 72.668, 8.787), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 2246, " OD2" at (66.432, 72.342, 10.875), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 2247, " N  " at (68.895, 69.307, 8.846), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 2248, " HN " at (68.749, 69.673, 7.905), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 2249, " CA " at (68.416, 67.967, 9.203), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 2250, " C  " at (69.222, 66.885, 8.512), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 2251, " O  " at (69.121, 66.706, 7.300), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 2252, " CB " at (66.907, 67.784, 8.887), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 2253, " CG1" at (66.433, 66.340, 9.243), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 2254, " CG2" at (66.072, 68.815, 9.647), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 2255, " N  " at (70.016, 66.156, 9.281), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 2256, " HN " at (70.102, 66.386, 10.271), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 2257, " CA " at (70.776, 65.021, 8.734), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 2258, " C  " at (69.825, 63.993, 8.045), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 2259, " O  " at (68.851, 63.576, 8.638), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 2260, " CB " at (71.664, 64.398, 9.841), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 2261, " CG1" at (72.534, 63.266, 9.282), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 2262, " CG2" at (70.830, 63.945, 11.053), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 2263, " CD1" at (73.581, 62.801, 10.265), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 2264, " N  " at (70.072, 63.643, 6.781), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 2265, " CA " at (69.137, 62.825, 6.006), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 2266, " C  " at (69.248, 61.359, 6.343), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 2267, " O  " at (69.478, 60.514, 5.454), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 2268, " CB " at (69.592, 63.040, 4.563), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 2269, " CG " at (71.060, 63.323, 4.672), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 2270, " CD " at (71.231, 64.050, 5.967), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 2271, " N  " at (69.101, 61.085, 7.629), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 2272, " HN " at (68.974, 61.860, 8.279), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 2273, " CA " at (69.112, 59.734, 8.158), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 2274, " C  " at (67.944, 58.932, 7.531), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 2275, " O  " at (66.787, 59.379, 7.533), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 2276, " CB " at (69.124, 59.822, 9.705), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 2277, " CG2" at (68.237, 58.844, 10.348), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 2278, " OG1" at (70.444, 59.482, 10.181), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 2279, " HG1" at (70.451, 59.536, 11.129), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 2280, " N  " at (68.322, 57.831, 6.876), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 2281, " HN " at (69.323, 57.640, 6.831), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 2282, " CA " at (67.429, 56.868, 6.213), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 2283, " C  " at (67.106, 55.693, 7.156), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 2284, " O  " at (67.903, 54.786, 7.326), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 2285, " CB " at (68.087, 56.297, 4.936), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 2286, " CG " at (67.899, 57.104, 3.644), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 2287, " CD " at (68.565, 56.442, 2.416), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 2288, " NE2" at (69.661, 57.042, 1.933), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 2289, "1HE2" at (70.051, 57.891, 2.342), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 2290, "2HE2" at (70.100, 56.605, 1.123), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 2291, " OE1" at (68.088, 55.404, 1.916), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 2292, " N  " at (65.926, 55.729, 7.764), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 2293, " HN " at (65.303, 56.512, 7.565), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 2294, " CA " at (65.468, 54.693, 8.715), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 2295, " C  " at (66.478, 54.392, 9.868), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 2296, " O  " at (66.823, 55.325, 10.630), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 2297, " CB " at (64.925, 53.454, 7.959), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 2298, " CG " at (63.497, 53.729, 7.337), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 2299, " CD " at (62.995, 52.811, 6.153), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 2300, " NE " at (63.332, 53.283, 4.788), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 2301, " HE " at (63.463, 52.566, 4.074), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 2302, " CZ " at (63.483, 54.563, 4.396), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 2303, " NH1" at (63.337, 55.574, 5.254), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 2304, "1HH1" at (63.097, 55.369, 6.224), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 2305, "2HH1" at (63.451, 56.543, 4.957), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 2306, " NH2" at (63.797, 54.831, 3.126), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 2307, "1HH2" at (63.909, 54.058, 2.470), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 2308, "2HH2" at (63.911, 55.800, 2.829), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 2309, " N  " at (66.952, 53.145, 10.010), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 2310, " HN " at (66.681, 52.423, 9.342), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 2311, " CA " at (67.865, 52.806, 11.127), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 2312, " C  " at (69.412, 53.046, 10.927), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 2313, " O  " at (70.249, 52.358, 11.557), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 2314, " CB " at (67.621, 51.357, 11.564), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 2315, " CG " at (67.431, 51.227, 13.083), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 2316, " OD1" at (68.150, 51.957, 13.822), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 2317, " OD2" at (66.600, 50.436, 13.620), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 2318, " N  " at (69.787, 54.014, 10.089), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 2319, " HN " at (69.155, 54.790, 9.891), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 2320, " CA " at (71.101, 53.963, 9.456), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 2321, " C  " at (71.867, 55.263, 9.536), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 2322, " O  " at (71.275, 56.331, 9.448), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 2323, " CB " at (70.953, 53.623, 7.968), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 2324, " CG " at (71.254, 52.197, 7.593), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 2325, " CD " at (70.453, 51.713, 6.407), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 2326, " NE " at (69.271, 51.034, 6.906), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 2327, " HE " at (68.780, 51.465, 7.689), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 2328, " CZ " at (68.774, 49.896, 6.427), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 2329, " NH1" at (69.342, 49.288, 5.394), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 2330, "1HH1" at (70.180, 49.687, 4.970), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 2331, "2HH1" at (68.961, 48.416, 5.027), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 2332, " NH2" at (67.686, 49.378, 6.978), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 2333, "1HH2" at (67.249, 49.846, 7.772), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 2334, "2HH2" at (67.305, 48.506, 6.611), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 2335, " N  " at (73.187, 55.156, 9.688), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 2336, " CA " at (74.068, 56.329, 9.515), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 2337, " C  " at (74.069, 56.764, 8.062), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 2338, " O  " at (73.995, 55.922, 7.169), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 2339, " CB " at (75.454, 55.810, 9.885), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 2340, " CG " at (75.342, 54.259, 9.801), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 2341, " CD " at (73.922, 53.917, 10.051), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 2342, " N  " at (74.143, 58.068, 7.826), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 2343, " HN " at (74.003, 58.719, 8.599), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 2344, " CA " at (74.419, 58.601, 6.492), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 2345, " C  " at (75.848, 58.231, 6.101), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 2346, " O  " at (76.807, 58.618, 6.779), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 2347, " CB " at (74.318, 60.147, 6.476), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 2348, " CG1" at (74.732, 60.695, 5.096), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 2349, " CG2" at (72.928, 60.624, 6.904), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 2350, " N  " at (75.982, 57.466, 5.022), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 2351, " HN " at (75.144, 57.165, 4.525), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 2352, " CA " at (77.288, 57.041, 4.523), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 2353, " C  " at (77.904, 58.164, 3.710), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 2354, " O  " at (77.421, 58.498, 2.621), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 2355, " CB " at (77.145, 55.791, 3.683), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 2356, " N  " at (78.987, 58.725, 4.226), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 2357, " HN " at (79.363, 58.370, 5.105), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 2358, " CA " at (79.650, 59.836, 3.565), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 2359, " C  " at (80.981, 59.333, 3.016), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 2360, " O  " at (81.706, 58.649, 3.719), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 2361, " CB " at (79.890, 61.045, 4.572), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 2362, " CG1" at (80.657, 62.153, 3.922), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 2363, " CG2" at (78.567, 61.539, 5.159), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 2364, " N  " at (81.284, 59.651, 1.754), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 2365, " HN " at (80.602, 60.150, 1.182), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 2366, " CA " at (82.584, 59.291, 1.182), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 2367, " C  " at (83.376, 60.542, 1.020), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 2368, " O  " at (82.814, 61.575, 0.612), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 2369, " CB " at (82.488, 58.584, -0.182), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 2370, " OG " at (81.667, 57.444, -0.097), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 2371, " HG " at (81.608, 57.008, -0.939), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 2372, " N  " at (84.653, 60.452, 1.396), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 2373, " HN " at (84.993, 59.554, 1.741), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 2374, " CA " at (85.588, 61.569, 1.339), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 2375, " C  " at (86.850, 61.129, 0.657), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 2376, " O  " at (87.339, 59.993, 0.826), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 2377, " CB " at (85.997, 62.172, 2.715), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 2378, " CG1" at (86.415, 63.719, 2.541), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 2379, " CG2" at (84.894, 62.018, 3.736), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 2380, " N  " at (87.397, 62.051, -0.111), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 2381, " HN " at (86.933, 62.954, -0.204), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 2382, " CA " at (88.641, 61.822, -0.830), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 2383, " C  " at (89.284, 63.206, -1.080), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 2384, " O  " at (88.595, 64.167, -1.441), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 2385, " CB " at (88.315, 61.082, -2.116), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 2386, " OG " at (89.406, 61.049, -2.987), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 2387, " HG " at (89.202, 60.586, -3.791), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 2388, " N  " at (90.577, 63.325, -0.804), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 2389, " HN " at (91.083, 62.515, -0.446), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 2390, " CA " at (91.290, 64.568, -0.996), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 2391, " C  " at (92.139, 64.467, -2.242), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 2392, " O  " at (92.974, 63.578, -2.350), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 2393, " CB " at (92.175, 64.880, 0.204), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 2394, " CG " at (91.551, 64.925, 1.608), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 2395, " CD1" at (92.515, 65.504, 2.618), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 2396, " CD2" at (90.227, 65.713, 1.614), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 2397, " N  " at (91.909, 65.353, -3.198), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 2398, " HN " at (91.157, 66.033, -3.083), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 2399, " CA " at (92.717, 65.372, -4.418), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 2400, " C  " at (93.661, 66.544, -4.266), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 2401, " O  " at (93.243, 67.693, -4.299), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 2402, " CB " at (91.872, 65.560, -5.674), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 2403, " CG " at (90.626, 64.689, -5.751), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 2404, " CD " at (90.968, 63.247, -6.168), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 2405, " CE " at (89.737, 62.354, -5.913), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 2406, " NZ " at (90.050, 60.895, -6.009), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 2407, " HZ1" at (89.236, 60.304, -5.840), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 2408, " HZ2" at (90.818, 60.644, -5.387), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 2409, " HZ3" at (90.483, 60.672, -6.905), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 2410, " N  " at (94.937, 66.242, -4.087), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 2411, " HN " at (95.233, 65.268, -4.147), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 2412, " CA " at (95.916, 67.262, -3.809), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 2413, " C  " at (96.317, 67.989, -5.059), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 2414, " O  " at (96.636, 67.379, -6.052), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 2415, " CB " at (97.120, 66.643, -3.084), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 2416, " CG " at (96.787, 66.177, -1.688), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 2417, " CD1" at (96.733, 67.073, -0.653), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 2418, " CD2" at (96.493, 64.839, -1.431), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 2419, " CE1" at (96.391, 66.656, 0.644), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 2420, " CE2" at (96.151, 64.417, -0.156), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 2421, " CZ " at (96.105, 65.312, 0.880), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 2422, " N  " at (96.298, 69.312, -4.981), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 2423, " HN " at (96.092, 69.743, -4.080), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 2424, " CA " at (96.557, 70.178, -6.120), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 2425, " C  " at (97.902, 70.873, -5.943), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 2426, " O  " at (98.693, 70.991, -6.879), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 2427, " CB " at (95.407, 71.239, -6.301), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 2428, " CG1" at (94.016, 70.566, -6.201), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 2429, " CG2" at (95.596, 72.017, -7.622), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 2430, " CD1" at (93.774, 69.474, -7.293), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 2431, " N  " at (98.148, 71.350, -4.726), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 2432, " HN " at (97.465, 71.215, -3.981), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 2433, " CA " at (99.371, 72.054, -4.456), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 2434, " C  " at (99.807, 72.040, -3.018), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 2435, " O  " at (98.994, 71.985, -2.120), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 2436, " CB " at (99.300, 73.487, -4.938), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 2437, " CG " at (100.521, 73.858, -5.745), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 2438, " ND2" at (100.274, 74.388, -6.924), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 2439, "1HD2" at (101.099, 74.639, -7.469), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 2440, "2HD2" at (99.331, 74.585, -7.258), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 2441, " OD1" at (101.713, 73.609, -5.323), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 2442, " N  " at (101.112, 72.073, -2.823), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 2443, " HN " at (101.738, 72.013, -3.626), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 2444, " CA " at (101.672, 72.192, -1.499), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 2445, " C  " at (102.407, 73.528, -1.579), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 2446, " O  " at (103.386, 73.673, -2.311), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 2447, " CB " at (102.591, 71.033, -1.182), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 2448, " CG1" at (101.805, 69.715, -1.108), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 2449, " CG2" at (103.272, 71.254, 0.148), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 2450, " CD1" at (102.640, 68.504, -1.348), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 2451, " N  " at (101.903, 74.516, -0.854), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 2452, " HN " at (101.128, 74.320, -0.221), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 2453, " CA " at (102.427, 75.882, -0.936), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 2454, " C  " at (103.532, 76.257, 0.026), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 2455, " O  " at (104.334, 77.151, -0.264), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 2456, " CB " at (101.301, 76.853, -0.733), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 2457, " CG " at (100.143, 76.494, -1.668), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 2458, " CD1" at (98.940, 77.231, -1.237), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 2459, " CD2" at (100.506, 76.779, -3.109), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 2460, " N  " at (103.551, 75.615, 1.187), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 2461, " HN " at (102.854, 74.893, 1.370), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 2462, " CA " at (104.540, 75.918, 2.198), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 2463, " C  " at (104.699, 74.741, 3.138), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 2464, " O  " at (103.736, 74.061, 3.495), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 2465, " CB " at (104.153, 77.151, 3.000), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 2466, " CG " at (105.295, 77.713, 3.829), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 2467, " CD " at (104.870, 78.908, 4.663), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 2468, " OE1" at (103.653, 79.016, 4.992), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 2469, " OE2" at (105.768, 79.730, 4.998), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 2470, " N  " at (105.938, 74.514, 3.507), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 2471, " HN " at (106.669, 75.146, 3.181), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 2472, " CA " at (106.304, 73.414, 4.349), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 2473, " C  " at (107.315, 73.982, 5.351), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 2474, " O  " at (108.210, 74.759, 4.998), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 2475, " CB " at (106.838, 72.262, 3.446), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 2476, " CG1" at (107.894, 71.471, 4.080), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 2477, " CG2" at (105.680, 71.391, 2.974), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 2478, " N  " at (107.147, 73.616, 6.615), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 2479, " HN " at (106.350, 73.035, 6.876), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 2480, " CA " at (108.099, 74.043, 7.630), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 2481, " C  " at (108.524, 72.880, 8.490), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 2482, " O  " at (107.729, 72.375, 9.266), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 2483, " CB " at (107.533, 75.203, 8.444), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 2484, " CG " at (108.586, 75.877, 9.333), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 2485, " ND2" at (108.466, 77.179, 9.479), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 2486, "1HD2" at (107.737, 77.716, 9.009), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 2487, "2HD2" at (109.166, 77.627, 10.070), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 2488, " OD1" at (109.463, 75.231, 9.898), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 2489, " N  " at (109.783, 72.451, 8.330), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 2490, " HN " at (110.416, 72.994, 7.743), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 2491, " CA " at (110.281, 71.236, 8.964), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 2492, " C  " at (110.568, 71.476, 10.439), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 2493, " O  " at (110.502, 70.549, 11.246), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 2494, " CB " at (111.498, 70.660, 8.209), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 2495, " CG " at (111.567, 69.126, 8.239), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 2496, " CD " at (112.793, 68.525, 7.551), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 2497, " OE1" at (113.233, 69.069, 6.496), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 2498, " OE2" at (113.296, 67.488, 8.059), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 2499, " N  " at (110.867, 72.733, 10.791), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 2500, " HN " at (110.965, 73.443, 10.065), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 2501, " CA " at (111.056, 73.112, 12.192), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 2502, " C  " at (109.727, 73.077, 12.969), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 2503, " O  " at (109.669, 72.525, 14.045), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 2504, " CB " at (111.712, 74.519, 12.336), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 2505, " CG1" at (113.047, 74.642, 11.554), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 2506, " CG2" at (111.888, 74.887, 13.815), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 2507, " CD1" at (114.097, 73.570, 11.893), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 2508, " N  " at (108.670, 73.661, 12.416), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 2509, " HN " at (108.746, 74.039, 11.472), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 2510, " CA " at (107.402, 73.774, 13.129), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 2511, " C  " at (106.476, 72.615, 12.822), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 2512, " O  " at (105.508, 72.425, 13.529), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 2513, " CB " at (106.661, 75.130, 12.846), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 2514, " CG2" at (107.581, 76.360, 13.053), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 2515, " OG1" at (106.311, 75.199, 11.462), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 2516, " HG1" at (105.747, 74.445, 11.335), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 2517, " N  " at (106.789, 71.826, 11.794), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 2518, " HN " at (107.636, 72.021, 11.260), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 2519, " CA " at (105.945, 70.679, 11.407), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 2520, " C  " at (104.558, 71.165, 10.925), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 2521, " O  " at (103.508, 70.716, 11.385), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 2522, " CB " at (105.819, 69.639, 12.544), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 2523, " CG " at (106.847, 68.513, 12.436), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 2524, " ND2" at (107.192, 67.929, 13.587), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 2525, "1HD2" at (107.878, 67.178, 13.515), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 2526, "2HD2" at (106.795, 68.210, 14.483), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 2527, " OD1" at (107.328, 68.173, 11.351), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 2528, " N  " at (104.582, 72.114, 10.004), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 2529, " HN " at (105.481, 72.425, 9.637), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 2530, " CA " at (103.369, 72.724, 9.501), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 2531, " C  " at (103.439, 72.728, 7.998), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 2532, " O  " at (104.513, 72.914, 7.437), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 2533, " CB " at (103.215, 74.156, 10.053), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 2534, " CG " at (102.854, 74.231, 11.549), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 2535, " CD " at (102.924, 75.661, 12.131), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 2536, " OE1" at (102.741, 76.645, 11.362), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 2537, " OE2" at (103.161, 75.827, 13.358), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 2538, " N  " at (102.307, 72.495, 7.344), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 2539, " HN " at (101.462, 72.300, 7.881), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 2540, " CA " at (102.226, 72.507, 5.900), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 2541, " C  " at (100.986, 73.297, 5.502), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 2542, " O  " at (99.992, 73.267, 6.199), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 2543, " CB " at (102.168, 71.052, 5.292), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 2544, " CG1" at (103.327, 70.187, 5.775), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 2545, " CG2" at (100.896, 70.381, 5.622), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 2546, " N  " at (101.066, 73.981, 4.375), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 2547, " HN " at (101.965, 73.979, 3.894), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 2548, " CA " at (99.973, 74.746, 3.751), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 2549, " C  " at (99.646, 74.032, 2.447), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 2550, " O  " at (100.523, 73.859, 1.603), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 2551, " CB " at (100.523, 76.162, 3.470), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 2552, " CG " at (99.446, 77.224, 3.211), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 2553, " OD1" at (98.251, 76.942, 2.946), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 2554, " OD2" at (99.741, 78.431, 3.236), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 2555, " N  " at (98.395, 73.602, 2.284), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 2556, " HN " at (97.684, 73.870, 2.965), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 2557, " CA " at (98.013, 72.748, 1.142), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 2558, " C  " at (96.716, 73.171, 0.452), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 2559, " O  " at (95.827, 73.766, 1.072), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 2560, " CB " at (97.857, 71.251, 1.594), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 2561, " CG1" at (97.524, 70.385, 0.402), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 2562, " CG2" at (99.145, 70.741, 2.209), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 2563, " N  " at (96.607, 72.870, -0.837), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 2564, " HN " at (97.412, 72.466, -1.317), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 2565, " CA " at (95.385, 73.094, -1.589), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 2566, " C  " at (94.923, 71.775, -2.155), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 2567, " O  " at (95.698, 71.086, -2.860), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 2568, " CB " at (95.568, 74.069, -2.771), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 2569, " CG1" at (94.248, 74.271, -3.492), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 2570, " CG2" at (96.116, 75.386, -2.335), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 2571, " N  " at (93.660, 71.429, -1.860), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 2572, " HN " at (93.086, 72.054, -1.295), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 2573, " CA " at (93.099, 70.172, -2.337), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 2574, " C  " at (91.635, 70.310, -2.665), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 2575, " O  " at (90.927, 71.130, -2.075), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 2576, " CB " at (93.279, 69.067, -1.284), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 2577, " CG " at (92.759, 69.452, 0.099), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 2578, " CD1" at (93.601, 70.092, 1.032), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 2579, " CD2" at (91.443, 69.179, 0.457), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 2580, " CE1" at (93.111, 70.457, 2.323), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 2581, " CE2" at (90.931, 69.533, 1.772), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 2582, " CZ " at (91.762, 70.182, 2.679), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 2583, " N  " at (91.176, 69.477, -3.583), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 2584, " HN " at (91.837, 68.955, -4.159), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 2585, " CA " at (89.748, 69.288, -3.790), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 2586, " C  " at (89.202, 68.230, -2.834), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 2587, " O  " at (89.633, 67.072, -2.874), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 2588, " CB " at (89.473, 68.860, -5.226), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 2589, " CG " at (90.033, 69.781, -6.226), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 2590, " CD1" at (90.465, 71.061, -6.019), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 2591, " CD2" at (90.193, 69.527, -7.629), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 2592, " CE2" at (90.729, 70.692, -8.206), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 2593, " CE3" at (89.954, 68.415, -8.450), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 2594, " NE1" at (90.891, 71.605, -7.206), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 2595, " HE1" at (91.269, 72.545, -7.322), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 2596, " CZ2" at (91.056, 70.782, -9.567), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 2597, " CZ3" at (90.235, 68.503, -9.807), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 2598, " CH2" at (90.786, 69.680, -10.353), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 2599, " N  " at (88.251, 68.628, -1.992), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 2600, " HN " at (87.917, 69.591, -2.030), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 2601, " CA " at (87.678, 67.705, -1.014), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 2602, " C  " at (86.417, 67.053, -1.603), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 2603, " O  " at (85.314, 67.532, -1.388), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 2604, " CB " at (87.398, 68.429, 0.314), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 2605, " CG " at (86.940, 67.537, 1.469), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 2606, " CD " at (86.917, 68.286, 2.781), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 2607, " NE2" at (85.720, 68.485, 3.341), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 2608, "1HE2" at (85.704, 68.991, 4.227), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 2609, "2HE2" at (84.850, 68.150, 2.926), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 2610, " OE1" at (87.967, 68.690, 3.282), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 2611, " N  " at (86.596, 65.957, -2.337), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 2612, " HN " at (87.543, 65.599, -2.460), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 2613, " CA " at (85.506, 65.257, -2.964), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 2614, " C  " at (84.630, 64.587, -1.895), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 2615, " O  " at (85.078, 63.660, -1.205), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 2616, " CB " at (86.037, 64.209, -3.941), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 2617, " CG " at (84.942, 63.347, -4.557), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 2618, " CD " at (85.452, 62.419, -5.636), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 2619, " NE2" at (84.600, 61.519, -6.095), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 2620, "1HE2" at (83.644, 61.440, -5.749), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 2621, "2HE2" at (84.944, 60.893, -6.823), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 2622, " OE1" at (86.597, 62.513, -6.050), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 2623, " N  " at (83.402, 65.082, -1.762), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 2624, " HN " at (83.097, 65.811, -2.407), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 2625, " CA " at (82.482, 64.632, -0.743), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 2626, " C  " at (81.161, 64.177, -1.315), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 2627, " O  " at (80.502, 64.880, -2.074), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 2628, " CB " at (82.238, 65.724, 0.310), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 2629, " CG2" at (81.978, 65.111, 1.671), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 2630, " OG1" at (83.447, 66.461, 0.500), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 2631, " HG1" at (83.296, 67.136, 1.151), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 2632, " N  " at (80.767, 62.985, -0.919), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 2633, " HN " at (81.259, 62.528, -0.151), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 2634, " CA " at (79.657, 62.309, -1.545), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 2635, " C  " at (78.741, 61.715, -0.462), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 2636, " O  " at (79.226, 61.217, 0.564), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 2637, " CB " at (80.288, 61.253, -2.461), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 2638, " CG2" at (79.616, 59.910, -2.348), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 2639, " OG1" at (80.204, 61.675, -3.832), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 2640, " HG1" at (80.628, 62.522, -3.903), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 2641, " N  " at (77.429, 61.827, -0.665), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 2642, " HN " at (77.102, 62.338, -1.485), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 2643, " CA " at (76.445, 61.251, 0.235), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 2644, " C  " at (75.097, 61.288, -0.436), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 2645, " O  " at (74.907, 61.943, -1.456), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 2646, " CB " at (76.378, 61.971, 1.595), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 2647, " CG " at (75.769, 63.333, 1.507), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 2648, " CD1" at (74.451, 63.664, 1.692), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 2649, " CD2" at (76.450, 64.557, 1.172), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 2650, " CE2" at (75.486, 65.589, 1.192), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 2651, " CE3" at (77.784, 64.883, 0.881), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 2652, " NE1" at (74.274, 65.013, 1.495), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 2653, " HE1" at (73.385, 65.508, 1.563), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 2654, " CZ2" at (75.802, 66.927, 0.907), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 2655, " CZ3" at (78.118, 66.225, 0.613), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 2656, " CH2" at (77.116, 67.218, 0.601), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 2657, " N  " at (74.147, 60.615, 0.177), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 2658, " HN " at (74.349, 60.169, 1.072), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 2659, " CA " at (72.831, 60.494, -0.387), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 2660, " C  " at (71.824, 61.221, 0.507), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 2661, " O  " at (71.882, 61.175, 1.732), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 2662, " CB " at (72.492, 59.007, -0.521), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 2663, " OG " at (71.106, 58.840, -0.353), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 2664, " HG " at (70.896, 57.917, -0.436), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 2665, " N  " at (70.906, 61.934, -0.122), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 2666, " HN " at (70.975, 62.058, -1.132), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 2667, " CA " at (69.791, 62.551, 0.603), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 2668, " C  " at (68.508, 62.346, -0.196), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 2669, " O  " at (68.261, 63.070, -1.163), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 2670, " CB " at (70.064, 64.047, 0.815), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 2671, " CG " at (69.005, 64.727, 1.697), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 2672, " OD1" at (67.890, 64.169, 1.915), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 2673, " OD2" at (69.214, 65.816, 2.257), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 2674, " N  " at (67.708, 61.354, 0.201), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 2675, " HN " at (67.933, 60.837, 1.051), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 2676, " CA " at (66.505, 60.995, -0.570), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 2677, " C  " at (65.418, 62.071, -0.503), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 2678, " O  " at (64.586, 62.139, -1.373), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 2679, " CB " at (65.929, 59.620, -0.179), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 2680, " CG " at (66.881, 58.395, -0.280), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 2681, " CD " at (67.345, 57.987, -1.670), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 2682, " NE " at (68.804, 57.711, -1.703), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 2683, " HE " at (69.409, 58.320, -1.153), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 2684, " CZ " at (69.396, 56.713, -2.407), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 2685, " NH1" at (68.661, 55.885, -3.155), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 2686, "1HH1" at (69.106, 55.135, -3.684), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 2687, "2HH1" at (67.650, 56.015, -3.185), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 2688, " NH2" at (70.724, 56.542, -2.368), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 2689, "1HH2" at (71.169, 55.792, -2.897), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 2690, "2HH2" at (71.285, 57.174, -1.797), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 2691, " N  " at (65.426, 62.934, 0.510), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 2692, " HN " at (66.089, 62.824, 1.277), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 2693, " CA " at (64.462, 64.052, 0.508), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 2694, " C  " at (64.635, 64.976, -0.716), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 2695, " O  " at (63.698, 65.679, -1.079), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 2696, " CB " at (64.457, 64.872, 1.834), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 2697, " CG2" at (64.375, 63.958, 3.079), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 2698, " OG1" at (65.704, 65.552, 2.008), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 2699, " HG1" at (65.701, 66.052, 2.816), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 2700, " N  " at (65.802, 64.942, -1.366), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 2701, " HN " at (66.530, 64.303, -1.045), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 2702, " CA " at (66.067, 65.800, -2.531), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 2703, " C  " at (65.557, 65.190, -3.858), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 2704, " O  " at (65.452, 65.880, -4.888), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 2705, " CB " at (67.556, 66.070, -2.654), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 2706, " CG " at (68.285, 66.699, -1.460), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 2707, " CD1" at (69.764, 66.819, -1.767), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 2708, " CD2" at (67.715, 68.065, -1.138), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 2709, " N  " at (65.239, 63.910, -3.830), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 2710, " HN " at (65.205, 63.432, -2.929), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 2711, " CA " at (64.937, 63.159, -5.027), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 2712, " C  " at (63.724, 63.683, -5.775), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 2713, " O  " at (62.780, 64.215, -5.189), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 2714, " CB " at (64.728, 61.641, -4.668), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 2715, " N  " at (63.746, 63.526, -7.092), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 2716, " HN " at (64.589, 63.163, -7.537), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 2717, " CA " at (62.592, 63.861, -7.916), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 2718, " C  " at (62.513, 62.880, -9.078), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 2719, " O  " at (63.509, 62.278, -9.478), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 2720, " CB " at (62.662, 65.317, -8.430), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 2721, " CG " at (63.778, 65.576, -9.424), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 2722, " CD1" at (63.692, 65.491, -10.781), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 2723, " CD2" at (65.145, 65.942, -9.133), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 2724, " CE2" at (65.814, 66.068, -10.355), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 2725, " CE3" at (65.862, 66.178, -7.961), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 2726, " NE1" at (64.912, 65.777, -11.347), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 2727, " HE1" at (65.115, 65.773, -12.347), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 2728, " CZ2" at (67.150, 66.410, -10.445), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 2729, " CZ3" at (67.226, 66.525, -8.065), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 2730, " CH2" at (67.836, 66.622, -9.290), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 2731, " N  " at (61.313, 62.729, -9.617), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 2732, " HN " at (60.515, 63.195, -9.186), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 2733, " CA " at (61.098, 61.917, -10.808), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 2734, " C  " at (61.623, 62.633, -12.051), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 2735, " O  " at (61.066, 63.653, -12.475), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 2736, " CB " at (59.605, 61.660, -10.962), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 2737, " CG " at (59.280, 60.633, -12.051), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 2738, " ND2" at (58.137, 59.951, -11.886), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 2739, "1HD2" at (57.529, 60.092, -11.079), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 2740, "2HD2" at (57.921, 59.267, -12.611), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 2741, " OD1" at (60.020, 60.462, -13.032), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 2742, " N  " at (62.674, 62.099, -12.654), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 2743, " HN " at (63.112, 61.263, -12.267), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 2744, " CA " at (63.204, 62.699, -13.863), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 2745, " C  " at (63.075, 61.800, -15.099), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 2746, " O  " at (63.992, 61.724, -15.918), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 2747, " CB " at (64.643, 63.106, -13.653), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 2748, " OG " at (65.404, 61.987, -13.307), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 2749, " HG " at (66.309, 62.243, -13.175), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 2750, " N  " at (61.930, 61.136, -15.231), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 2751, " HN " at (61.264, 61.142, -14.458), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 2752, " CA " at (61.595, 60.397, -16.450), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 2753, " C  " at (61.531, 61.332, -17.666), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 2754, " O  " at (61.921, 60.972, -18.788), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 2755, " CB " at (60.248, 59.698, -16.273), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 2756, " OG " at (59.276, 60.593, -15.736), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 2757, " HG " at (58.438, 60.158, -15.626), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 2758, " N  " at (61.030, 62.540, -17.434), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 2759, " HN " at (60.699, 62.775, -16.498), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 2760, " CA " at (60.946, 63.531, -18.490), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 2761, " C  " at (61.514, 64.878, -18.041), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 2762, " O  " at (60.965, 65.911, -18.438), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 2763, " CB " at (59.489, 63.716, -18.934), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 2764, " CG " at (58.769, 62.436, -19.257), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 2765, " CD2" at (57.970, 61.643, -18.499), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 2766, " ND1" at (58.805, 61.858, -20.507), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 2767, " HD1" at (59.319, 62.221, -21.310), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 2768, " CE1" at (58.069, 60.757, -20.504), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 2769, " NE2" at (57.552, 60.603, -19.298), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 2770, " HE2" at (56.943, 59.839, -19.007), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 2771, " N  " at (62.591, 64.863, -17.233), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 2772, " HN " at (63.011, 63.959, -17.014), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 2773, " CA " at (63.204, 66.070, -16.643), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 2774, " C  " at (64.735, 65.953, -16.602), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 2775, " O  " at (65.257, 64.840, -16.707), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 2776, " CB " at (62.674, 66.307, -15.222), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 2777, " OG " at (61.265, 66.419, -15.197), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 2778, " HG " at (60.937, 66.566, -14.318), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 2779, " N  " at (65.451, 67.078, -16.451), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 2780, " CA " at (66.896, 67.027, -16.170), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 2781, " C  " at (67.126, 66.141, -14.966), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 2782, " O  " at (66.319, 66.169, -14.035), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 2783, " CB " at (67.240, 68.475, -15.825), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 2784, " CG " at (66.204, 69.281, -16.544), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 2785, " CD " at (64.962, 68.465, -16.557), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 2786, " N  " at (68.185, 65.348, -14.986), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 2787, " HN " at (68.837, 65.374, -15.770), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 2788, " CA " at (68.402, 64.443, -13.876), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 2789, " C  " at (69.469, 64.897, -12.880), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 2790, " O  " at (69.737, 64.184, -11.922), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 2791, " CB " at (68.660, 63.018, -14.386), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 2792, " CG " at (70.087, 62.807, -14.807), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 2793, " OD1" at (70.612, 63.659, -15.564), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 2794, " OD2" at (70.764, 61.830, -14.407), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 2795, " N  " at (70.044, 66.087, -13.104), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 2796, " HN " at (69.762, 66.607, -13.935), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 2797, " CA " at (71.056, 66.686, -12.224), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 2798, " C  " at (70.937, 68.195, -12.218), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 2799, " O  " at (70.637, 68.786, -13.226), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 2800, " CB " at (72.470, 66.367, -12.722), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 2801, " CG " at (72.973, 65.006, -12.385), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 2802, " CD " at (74.472, 64.823, -12.628), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 2803, " NE2" at (74.822, 63.680, -13.227), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 2804, "1HE2" at (74.142, 62.979, -13.522), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 2805, "2HE2" at (75.822, 63.558, -13.389), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 2806, " OE1" at (75.300, 65.677, -12.269), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 2807, " N  " at (71.211, 68.817, -11.085), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 2808, " HN " at (71.374, 68.264, -10.243), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 2809, " CA " at (71.287, 70.264, -11.004), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 2810, " C  " at (72.419, 70.672, -10.034), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 2811, " O  " at (72.824, 69.880, -9.144), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 2812, " CB " at (69.961, 70.911, -10.473), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 2813, " CG1" at (68.818, 70.805, -11.479), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 2814, " CG2" at (69.575, 70.316, -9.109), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 2815, " N  " at (72.871, 71.914, -10.169), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 2816, " HN " at (72.573, 72.460, -10.977), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 2817, " CA " at (73.781, 72.527, -9.200), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 2818, " C  " at (72.987, 73.319, -8.152), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 2819, " O  " at (72.126, 74.117, -8.482), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 2820, " CB " at (74.745, 73.457, -9.925), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 2821, " OG " at (75.468, 72.707, -10.872), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 2822, " HG " at (76.069, 73.287, -11.324), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 2823, " N  " at (73.280, 73.097, -6.887), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 2824, " HN " at (74.075, 72.498, -6.664), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 2825, " CA " at (72.508, 73.677, -5.792), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 2826, " C  " at (73.409, 74.368, -4.777), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 2827, " O  " at (74.436, 73.822, -4.404), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 2828, " CB " at (71.678, 72.612, -5.057), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 2829, " CG1" at (70.758, 73.287, -4.023), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 2830, " CG2" at (70.846, 71.760, -6.051), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 2831, " N  " at (73.074, 75.596, -4.368), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 2832, " CA " at (73.877, 76.269, -3.345), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 2833, " C  " at (73.908, 75.365, -2.112), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 2834, " O  " at (72.862, 74.836, -1.753), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 2835, " CB " at (73.102, 77.556, -3.046), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 2836, " CG " at (72.200, 77.783, -4.174), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 2837, " CD " at (71.968, 76.438, -4.867), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 2838, " N  " at (75.048, 75.191, -1.466), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 2839, " HN " at (75.901, 75.644, -1.793), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 2840, " CA " at (75.072, 74.334, -0.267), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 2841, " C  " at (74.250, 74.870, 0.903), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 2842, " O  " at (73.897, 74.104, 1.782), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 2843, " CB " at (76.504, 74.008, 0.205), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 2844, " CG1" at (77.261, 75.270, 0.628), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 2845, " CG2" at (77.266, 73.277, -0.872), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 2846, " CD1" at (78.521, 74.927, 1.515), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 2847, " N  " at (73.951, 76.187, 0.917), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 2848, " HN " at (74.382, 76.798, 0.223), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 2849, " CA " at (73.036, 76.763, 1.888), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 2850, " C  " at (71.608, 76.216, 1.762), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 2851, " O  " at (70.818, 76.256, 2.708), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 2852, " CB " at (73.064, 78.309, 1.801), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 2853, " OG " at (72.442, 78.771, 0.596), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 2854, " HG " at (72.459, 79.719, 0.543), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 2855, " N  " at (71.266, 75.658, 0.611), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 2856, " HN " at (71.902, 75.691, -0.186), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 2857, " CA " at (69.981, 75.000, 0.493), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 2858, " C  " at (70.029, 73.485, 0.799), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 2859, " O  " at (69.022, 72.787, 0.668), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 2860, " CB " at (69.413, 75.245, -0.904), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 2861, " OG " at (69.083, 76.641, -1.003), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 2862, " HG " at (68.730, 76.793, -1.872), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 2863, " N  " at (71.192, 72.970, 1.160), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 2864, " HN " at (71.995, 73.580, 1.312), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 2865, " CA " at (71.328, 71.511, 1.343), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 2866, " C  " at (71.823, 71.200, 2.735), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 2867, " O  " at (72.608, 71.974, 3.272), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 2868, " CB " at (72.386, 70.953, 0.369), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 2869, " CG " at (72.100, 70.968, -1.131), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 2870, " CD1" at (73.161, 70.210, -1.827), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 2871, " CD2" at (70.754, 70.391, -1.410), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 2872, " N  " at (71.448, 70.042, 3.294), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 2873, " HN " at (70.623, 69.541, 2.964), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 2874, " CA " at (72.268, 69.512, 4.406), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 2875, " C  " at (73.619, 69.070, 3.875), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 2876, " O  " at (73.691, 68.432, 2.834), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 2877, " CB " at (71.616, 68.349, 5.104), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 2878, " CG " at (72.490, 67.754, 6.211), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 2879, " CD1" at (72.556, 68.155, 7.506), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 2880, " CD2" at (73.403, 66.660, 6.084), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 2881, " CE2" at (73.973, 66.432, 7.362), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 2882, " CE3" at (73.774, 65.812, 5.019), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 2883, " NE1" at (73.441, 67.360, 8.215), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 2884, " HE1" at (73.660, 67.451, 9.207), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 2885, " CZ2" at (74.899, 65.394, 7.611), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 2886, " CZ3" at (74.696, 64.780, 5.260), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 2887, " CH2" at (75.238, 64.569, 6.551), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 2888, " N  " at (74.674, 69.353, 4.628), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 2889, " HN " at (74.518, 69.827, 5.518), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 2890, " CA " at (76.052, 69.021, 4.251), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 2891, " C  " at (76.693, 68.441, 5.504), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 2892, " O  " at (76.383, 68.888, 6.632), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 2893, " CB " at (76.817, 70.293, 3.733), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 2894, " CG1" at (78.289, 70.141, 3.780), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 2895, " CG2" at (76.389, 70.631, 2.285), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 2896, " N  " at (77.503, 67.395, 5.346), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 2897, " CA " at (78.148, 66.788, 6.513), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 2898, " C  " at (79.066, 67.789, 7.192), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 2899, " O  " at (79.729, 68.552, 6.514), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 2900, " CB " at (78.945, 65.580, 5.949), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 2901, " CG " at (78.646, 65.507, 4.450), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 2902, " CD " at (77.819, 66.705, 4.082), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 2903, " N  " at (79.086, 67.782, 8.521), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 2904, " HN " at (78.510, 67.097, 9.010), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 2905, " CA " at (79.891, 68.706, 9.317), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 2906, " C  " at (81.328, 68.138, 9.464), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 2907, " O  " at (81.812, 67.896, 10.567), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 2908, " CB " at (79.226, 68.941, 10.668), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 2909, " CG " at (79.168, 67.677, 11.513), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 2910, " OD1" at (79.087, 66.548, 10.904), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 2911, " OD2" at (79.237, 67.699, 12.759), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 2912, " N  " at (81.997, 67.930, 8.341), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 2913, " HN " at (81.539, 68.101, 7.446), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 2914, " CA " at (83.363, 67.466, 8.362), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 2915, " C  " at (84.393, 68.458, 8.878), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 2916, " O  " at (84.409, 69.685, 8.532), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 2917, " CB " at (83.775, 66.982, 6.958), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 2918, " CG " at (82.935, 65.808, 6.432), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 2919, " CD1" at (83.498, 65.306, 5.109), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 2920, " CD2" at (82.822, 64.645, 7.429), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 2921, " N  " at (85.332, 67.941, 9.657), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 2922, " HN " at (85.283, 66.971, 9.970), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 2923, " CA " at (86.446, 68.811, 10.055), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 2924, " C  " at (87.771, 68.075, 9.984), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 2925, " O  " at (87.826, 66.855, 10.235), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 2926, " CB " at (86.199, 69.363, 11.448), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 2927, " N  " at (88.853, 68.789, 9.646), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 2928, " HN " at (88.750, 69.751, 9.323), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 2929, " CA " at (90.188, 68.184, 9.741), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 2930, " C  " at (90.689, 68.422, 11.141), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 2931, " O  " at (90.851, 69.584, 11.554), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 2932, " CB " at (91.126, 68.799, 8.737), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 2933, " N  " at (90.937, 67.326, 11.883), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 2934, " HN " at (90.880, 66.407, 11.445), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 2935, " CA " at (91.287, 67.418, 13.305), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 2936, " C  " at (92.673, 68.055, 13.559), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 2937, " O  " at (92.950, 68.521, 14.667), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 2938, " CB " at (91.301, 66.027, 13.947), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 2939, " CG " at (89.939, 65.513, 14.318), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 2940, " CD1" at (88.951, 65.347, 13.364), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 2941, " CD2" at (89.647, 65.185, 15.630), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 2942, " CE1" at (87.704, 64.868, 13.698), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 2943, " CE2" at (88.404, 64.705, 15.993), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 2944, " CZ " at (87.430, 64.554, 15.015), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 2945, " OH " at (86.156, 64.093, 15.322), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 2946, " HH " at (85.968, 63.877, 16.228), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 2947, " N  " at (93.562, 67.974, 12.584), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 2948, " HN " at (93.324, 67.511, 11.707), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 2949, " CA " at (94.897, 68.558, 12.777), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 2950, " C  " at (95.079, 69.885, 12.027), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 2951, " O  " at (96.201, 70.368, 11.894), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 2952, " CB " at (96.048, 67.572, 12.467), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 2953, " CG " at (95.946, 66.958, 11.100), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 2954, " ND2" at (97.087, 66.765, 10.456), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 2955, "1HD2" at (97.991, 67.022, 10.853), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 2956, "2HD2" at (97.018, 66.348, 9.528), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 2957, " OD1" at (94.845, 66.645, 10.617), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 2958, " N  " at (93.968, 70.465, 11.583), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 2959, " HN " at (93.070, 70.002, 11.724), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 2960, " CA " at (94.010, 71.770, 10.888), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 2961, " C  " at (94.376, 72.876, 11.899), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 2962, " O  " at (93.886, 72.890, 13.020), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 2963, " CB " at (92.667, 72.104, 10.225), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 2964, " N  " at (95.211, 73.807, 11.469), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 2965, " HN " at (95.609, 73.733, 10.533), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 2966, " CA " at (95.570, 74.939, 12.317), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 2967, " C  " at (95.142, 76.272, 11.659), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 2968, " O  " at (95.515, 77.362, 12.103), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 2969, " CB " at (97.091, 74.872, 12.613), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 2970, " CG1" at (97.896, 74.885, 11.313), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 2971, " CG2" at (97.415, 73.586, 13.484), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 2972, " CD1" at (99.393, 75.145, 11.534), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 2973, " N  " at (94.383, 76.179, 10.569), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 2974, " HN " at (94.279, 75.279, 10.101), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 2975, " CA " at (93.699, 77.353, 10.038), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 2976, " C  " at (92.296, 76.926, 9.671), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 2977, " O  " at (92.048, 75.734, 9.486), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 2978, " CB " at (94.452, 77.939, 8.837), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 2979, " OG " at (94.372, 77.069, 7.710), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 2980, " HG " at (94.838, 77.432, 6.966), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 2981, " N  " at (91.345, 77.847, 9.575), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 2982, " HN " at (91.537, 78.827, 9.783), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 2983, " CA " at (89.997, 77.404, 9.156), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 2984, " C  " at (89.985, 77.232, 7.641), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 2985, " O  " at (90.673, 77.966, 6.967), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 2986, " CB " at (88.862, 78.340, 9.674), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 2987, " CG " at (88.881, 79.779, 9.140), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 2988, " CD " at (88.343, 80.783, 10.151), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 2989, " CE " at (86.840, 80.668, 10.314), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 2990, " NZ " at (86.305, 81.778, 11.227), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 2991, " HZ1" at (85.294, 81.701, 11.337), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 2992, " HZ2" at (86.579, 82.703, 10.897), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 2993, " HZ3" at (86.783, 81.789, 12.128), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 2994, " N  " at (89.237, 76.257, 7.099), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 2995, " CA " at (89.286, 75.979, 5.643), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 2996, " C  " at (88.917, 77.244, 4.803), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 2997, " O  " at (87.921, 77.928, 5.090), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 2998, " CB " at (88.260, 74.862, 5.446), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 2999, " CG " at (87.389, 74.895, 6.681), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 3000, " CD " at (88.257, 75.400, 7.799), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 3001, " N  " at (89.779, 77.566, 3.840), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 3002, " HN " at (90.641, 77.026, 3.768), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 3003, " CA " at (89.565, 78.642, 2.885), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 3004, " C  " at (89.028, 77.951, 1.616), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 3005, " O  " at (89.742, 77.229, 0.947), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 3006, " CB " at (90.914, 79.367, 2.640), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 3007, " CG " at (90.882, 80.669, 1.813), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 3008, " CD " at (92.270, 81.330, 1.651), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 3009, " OE1" at (93.142, 81.157, 2.549), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 3010, " OE2" at (92.529, 82.047, 0.631), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 3011, " N  " at (87.741, 78.113, 1.348), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 3012, " HN " at (87.165, 78.630, 2.012), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 3013, " CA " at (87.116, 77.585, 0.147), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 3014, " C  " at (87.402, 78.507, -1.066), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 3015, " O  " at (87.056, 79.668, -1.062), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 3016, " CB " at (85.602, 77.441, 0.352), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 3017, " CG1" at (84.965, 76.863, -0.887), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 3018, " CG2" at (85.277, 76.549, 1.581), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 3019, " N  " at (88.054, 77.979, -2.081), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 3020, " HN " at (88.287, 76.986, -2.070), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 3021, " CA " at (88.446, 78.800, -3.220), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 3022, " C  " at (87.440, 78.807, -4.383), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 3023, " O  " at (87.593, 79.584, -5.322), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 3024, " CB " at (89.848, 78.379, -3.730), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 3025, " CG " at (90.938, 78.112, -2.693), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 3026, " CD1" at (92.158, 77.525, -3.363), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 3027, " CD2" at (91.309, 79.396, -1.995), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 3028, " N  " at (86.420, 77.958, -4.318), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 3029, " HN " at (86.262, 77.437, -3.456), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 3030, " CA " at (85.529, 77.754, -5.437), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 3031, " C  " at (84.092, 78.101, -5.079), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 3032, " O  " at (83.746, 78.156, -3.898), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 3033, " CB " at (85.590, 76.262, -5.892), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 3034, " CG2" at (86.878, 75.955, -6.644), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 3035, " OG1" at (85.657, 75.426, -4.759), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 3036, " HG1" at (84.853, 75.618, -4.290), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 3037, " N  " at (83.248, 78.328, -6.092), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 3038, " CA " at (81.810, 78.529, -5.857), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 3039, " C  " at (81.188, 77.399, -5.020), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 3040, " O  " at (81.400, 76.208, -5.266), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 3041, " CB " at (81.227, 78.539, -7.275), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 3042, " CG " at (82.369, 78.990, -8.142), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 3043, " CD " at (83.593, 78.438, -7.535), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 3044, " N  " at (80.403, 77.783, -4.023), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 3045, " HN " at (80.145, 78.766, -3.935), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 3046, " CA " at (79.905, 76.821, -3.053), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 3047, " C  " at (78.613, 76.169, -3.513), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 3048, " O  " at (77.539, 76.376, -2.932), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 3049, " CB " at (79.829, 77.461, -1.673), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 3050, " CG " at (81.231, 77.696, -1.074), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 3051, " CD " at (81.198, 78.453, 0.259), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 3052, " NE2" at (81.957, 79.548, 0.336), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 3053, "1HE2" at (81.935, 80.052, 1.223), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 3054, "2HE2" at (82.516, 79.892, -0.445), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 3055, " OE1" at (80.520, 78.035, 1.207), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 3056, " N  " at (78.751, 75.363, -4.571), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 3057, " HN " at (79.681, 75.248, -4.975), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 3058, " CA " at (77.637, 74.639, -5.177), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 3059, " C  " at (77.874, 73.130, -5.113), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 3060, " O  " at (79.008, 72.650, -5.341), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 3061, " CB " at (77.477, 75.065, -6.637), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 3062, " CG " at (77.295, 76.562, -6.984), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 3063, " CD1" at (77.224, 76.773, -8.485), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 3064, " CD2" at (76.097, 77.138, -6.314), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 3065, " N  " at (76.811, 72.393, -4.828), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 3066, " HN " at (75.943, 72.849, -4.547), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 3067, " CA " at (76.866, 70.960, -4.910), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 3068, " C  " at (76.100, 70.483, -6.174), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 3069, " O  " at (75.208, 71.137, -6.674), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 3070, " CB " at (76.283, 70.328, -3.655), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 3071, " N  " at (76.431, 69.291, -6.621), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 3072, " HN " at (77.193, 68.786, -6.169), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 3073, " CA " at (75.747, 68.679, -7.732), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 3074, " C  " at (74.813, 67.635, -7.126), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 3075, " O  " at (75.217, 66.805, -6.299), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 3076, " CB " at (76.783, 68.103, -8.671), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 3077, " CG " at (76.287, 67.845, -10.053), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 3078, " CD " at (76.074, 69.063, -10.920), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 3079, " NE " at (75.525, 68.568, -12.174), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 3080, " HE " at (75.581, 67.565, -12.351), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 3081, " CZ " at (74.959, 69.324, -13.100), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 3082, " NH1" at (74.857, 70.655, -12.954), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 3083, "1HH1" at (75.211, 71.104, -12.109), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 3084, "2HH1" at (74.421, 71.238, -13.668), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 3085, " NH2" at (74.501, 68.742, -14.194), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 3086, "1HH2" at (74.578, 67.731, -14.305), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 3087, "2HH2" at (74.065, 69.325, -14.908), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 3088, " N  " at (73.532, 67.740, -7.467), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 3089, " HN " at (73.256, 68.457, -8.138), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 3090, " CA " at (72.518, 66.869, -6.917), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 3091, " C  " at (71.844, 66.103, -8.051), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 3092, " O  " at (71.298, 66.722, -8.975), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 3093, " CB " at (71.455, 67.682, -6.175), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 3094, " CG1" at (70.333, 66.775, -5.602), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 3095, " CG2" at (72.078, 68.557, -5.045), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 3096, " N  " at (71.848, 64.770, -7.941), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 3097, " HN " at (72.303, 64.358, -7.127), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 3098, " CA " at (71.246, 63.879, -8.906), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 3099, " C  " at (69.818, 63.583, -8.497), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 3100, " O  " at (69.484, 63.672, -7.330), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 3101, " CB " at (72.076, 62.574, -9.048), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 3102, " CG1" at (71.525, 61.661, -10.176), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 3103, " CG2" at (73.557, 62.911, -9.304), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 3104, " N  " at (68.960, 63.228, -9.455), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 3105, " HN " at (69.303, 63.103, -10.407), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 3106, " CA " at (67.541, 63.014, -9.176), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 3107, " C  " at (67.215, 61.861, -8.196), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 3108, " O  " at (66.089, 61.771, -7.694), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 3109, " CB " at (66.730, 62.817, -10.468), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 3110, " OG " at (67.083, 61.630, -11.134), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 3111, " HG " at (66.582, 61.508, -11.932), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 3112, " N  " at (68.179, 60.987, -7.930), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 3113, " HN " at (69.077, 61.054, -8.409), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 3114, " CA " at (67.947, 59.923, -6.944), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 3115, " C  " at (68.363, 60.376, -5.533), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 3116, " O  " at (68.258, 59.622, -4.581), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 3117, " CB " at (68.637, 58.607, -7.330), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 3118, " CG " at (70.162, 58.741, -7.447), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 3119, " OD1" at (70.733, 59.834, -7.189), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 3120, " OD2" at (70.883, 57.791, -7.815), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 3121, " N  " at (68.851, 61.608, -5.414), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 3122, " HN " at (68.955, 62.199, -6.239), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 3123, " CA " at (69.233, 62.107, -4.115), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 3124, " C  " at (70.724, 62.058, -3.843), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 3125, " O  " at (71.135, 62.484, -2.767), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 3126, " N  " at (71.528, 61.580, -4.803), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 3127, " HN " at (71.120, 61.230, -5.670), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 3128, " CA " at (73.001, 61.551, -4.627), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 3129, " C  " at (73.551, 62.951, -4.749), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 3130, " O  " at (73.154, 63.712, -5.629), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 3131, " CB " at (73.721, 60.646, -5.657), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 3132, " CG " at (73.477, 59.145, -5.533), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 3133, " CD " at (73.874, 58.584, -4.175), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 3134, " OE1" at (75.026, 58.845, -3.688), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 3135, " OE2" at (73.001, 57.897, -3.589), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 3136, " N  " at (74.463, 63.296, -3.864), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 3137, " HN " at (74.776, 62.612, -3.175), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 3138, " CA " at (75.028, 64.624, -3.851), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 3139, " C  " at (76.523, 64.507, -3.962), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 3140, " O  " at (77.113, 63.643, -3.334), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 3141, " CB " at (74.690, 65.409, -2.511), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 3142, " CG1" at (75.211, 66.854, -2.571), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 3143, " CG2" at (73.204, 65.350, -2.165), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 3144, " N  " at (77.131, 65.404, -4.745), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 3145, " HN " at (76.546, 66.008, -5.322), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 3146, " CA " at (78.571, 65.573, -4.827), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 3147, " C  " at (78.886, 67.030, -4.516), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 3148, " O  " at (78.415, 67.930, -5.219), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 3149, " CB " at (79.078, 65.238, -6.226), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 3150, " CG " at (80.551, 65.550, -6.564), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 3151, " CD1" at (81.550, 64.790, -5.707), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 3152, " CD2" at (80.814, 65.233, -8.043), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 3153, " N  " at (79.669, 67.239, -3.470), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 3154, " HN " at (79.929, 66.444, -2.886), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 3155, " CA " at (80.174, 68.560, -3.121), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 3156, " C  " at (81.689, 68.437, -3.147), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 3157, " O  " at (82.237, 67.619, -2.418), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 3158, " CB " at (79.664, 69.015, -1.750), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 3159, " CG " at (80.169, 70.389, -1.364), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 3160, " CD1" at (80.190, 71.434, -2.295), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 3161, " CD2" at (80.658, 70.634, -0.101), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 3162, " CE1" at (80.678, 72.698, -1.962), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 3163, " CE2" at (81.116, 71.920, 0.266), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 3164, " CZ " at (81.136, 72.934, -0.678), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 3165, " OH " at (81.627, 74.210, -0.331), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 3166, " HH " at (81.941, 74.372, 0.551), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 3167, " N  " at (82.351, 69.177, -4.035), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 3168, " HN " at (81.827, 69.840, -4.606), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 3169, " CA " at (83.791, 69.079, -4.224), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 3170, " C  " at (84.498, 70.453, -4.221), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 3171, " O  " at (85.000, 70.891, -5.263), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 3172, " CB " at (84.105, 68.302, -5.522), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 3173, " CG " at (85.618, 67.918, -5.676), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 3174, " SD " at (85.974, 66.579, -6.955), DEBUG: found_parm->rec_index = 5 was assigned atom type "SA" (rec_index= 5, atom_type= 5).
-Atom no. 3175, " CE " at (84.389, 66.269, -7.400), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 3176, " N  " at (84.553, 71.130, -3.071), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 3177, " CA " at (85.209, 72.457, -3.004), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 3178, " C  " at (86.744, 72.334, -3.126), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 3179, " O  " at (87.295, 71.338, -2.675), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 3180, " CB " at (84.858, 72.962, -1.603), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 3181, " CG " at (84.635, 71.670, -0.747), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 3182, " CD " at (84.028, 70.704, -1.761), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 3183, " N  " at (87.395, 73.314, -3.736), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 3184, " HN " at (86.881, 73.961, -4.334), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 3185, " CA " at (88.832, 73.482, -3.567), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 3186, " C  " at (89.116, 74.238, -2.259), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 3187, " O  " at (88.585, 75.334, -2.042), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 3188, " CB " at (89.420, 74.251, -4.745), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 3189, " OG " at (90.855, 74.244, -4.638), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 3190, " HG " at (91.221, 74.723, -5.372), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 3191, " N  " at (89.975, 73.673, -1.420), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 3192, " HN " at (90.489, 72.851, -1.737), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 3193, " CA " at (90.222, 74.158, -0.082), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 3194, " C  " at (91.716, 74.426, 0.092), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 3195, " O  " at (92.584, 73.593, -0.327), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 3196, " CB " at (89.714, 73.129, 0.950), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 3197, " CG1" at (88.170, 73.089, 0.890), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 3198, " CG2" at (90.211, 73.481, 2.340), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 3199, " CD1" at (87.525, 72.399, 1.982), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 3200, " N  " at (92.015, 75.587, 0.651), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 3201, " HN " at (91.284, 76.289, 0.769), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 3202, " CA " at (93.360, 75.881, 1.099), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 3203, " C  " at (93.332, 75.846, 2.630), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 3204, " O  " at (92.463, 76.423, 3.260), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 3205, " CB " at (93.881, 77.237, 0.552), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 3206, " CG " at (95.304, 77.502, 0.993), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 3207, " CD " at (95.864, 78.872, 0.624), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 3208, " NE " at (97.278, 78.982, 1.021), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 3209, " HE " at (97.569, 78.488, 1.865), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 3210, " CZ " at (98.212, 79.679, 0.362), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 3211, " NH1" at (97.901, 80.375, -0.741), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 3212, "1HH1" at (98.613, 80.906, -1.243), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 3213, "2HH1" at (96.943, 80.343, -1.090), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 3214, " NH2" at (99.455, 79.720, 0.815), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 3215, "1HH2" at (100.167, 80.251, 0.313), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 3216, "2HH2" at (99.692, 79.191, 1.654), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 3217, " N  " at (94.218, 75.081, 3.235), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 3218, " HN " at (94.912, 74.566, 2.693), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 3219, " CA " at (94.194, 74.980, 4.679), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 3220, " C  " at (95.585, 74.677, 5.168), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 3221, " O  " at (96.410, 74.164, 4.418), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 3222, " CB " at (93.174, 73.899, 5.092), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 3223, " CG " at (92.787, 73.928, 6.560), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 3224, " CD " at (91.519, 73.128, 6.858), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 3225, " NE2" at (90.808, 73.554, 7.891), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 3226, "1HE2" at (91.088, 74.356, 8.456), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 3227, "2HE2" at (89.962, 73.020, 8.090), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 3228, " OE1" at (91.173, 72.136, 6.159), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 3229, " N  " at (95.853, 74.990, 6.424), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 3230, " HN " at (95.133, 75.427, 7.000), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 3231, " CA " at (97.165, 74.718, 6.994), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 3232, " C  " at (97.063, 73.555, 8.041), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 3233, " O  " at (96.065, 73.398, 8.701), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 3234, " CB " at (97.782, 76.029, 7.556), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 3235, " CG " at (98.196, 77.049, 6.456), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 3236, " CD " at (98.689, 78.461, 6.945), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 3237, " NE " at (97.551, 79.383, 7.148), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 3238, " HE " at (96.889, 79.488, 6.379), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 3239, " CZ " at (97.321, 80.090, 8.260), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 3240, " NH1" at (98.160, 80.016, 9.292), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 3241, "1HH1" at (97.985, 80.555, 10.140), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 3242, "2HH1" at (98.987, 79.423, 9.225), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 3243, " NH2" at (96.237, 80.868, 8.348), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 3244, "1HH2" at (96.062, 81.407, 9.196), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 3245, "2HH2" at (95.595, 80.925, 7.558), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 3246, " N  " at (98.075, 72.717, 8.151), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 3247, " HN " at (98.943, 72.888, 7.643), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 3248, " CA " at (97.940, 71.545, 9.005), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 3249, " C  " at (99.208, 71.418, 9.837), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 3250, " O  " at (100.264, 71.908, 9.415), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 3251, " CB " at (97.710, 70.255, 8.205), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 3252, " CG " at (96.482, 70.286, 7.296), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 3253, " CD1" at (95.213, 69.924, 7.783), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 3254, " CD2" at (96.606, 70.608, 5.937), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 3255, " CE1" at (94.069, 69.979, 6.945), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 3256, " CE2" at (95.461, 70.642, 5.080), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 3257, " CZ " at (94.192, 70.348, 5.580), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 3258, " N  " at (99.063, 70.797, 11.015), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 3259, " HN " at (98.112, 70.619, 11.337), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 3260, " CA " at (100.134, 70.363, 11.857), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 3261, " C  " at (100.302, 68.867, 11.555), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 3262, " O  " at (99.349, 68.090, 11.724), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 3263, " CB " at (99.745, 70.533, 13.330), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 3264, " OG " at (100.646, 69.829, 14.184), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 3265, " HG " at (100.405, 69.934, 15.097), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 3266, " N  " at (101.490, 68.482, 11.097), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 3267, " HN " at (102.211, 69.184, 10.932), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 3268, " CA " at (101.787, 67.080, 10.825), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 3269, " C  " at (103.280, 66.866, 10.662), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 3270, " O  " at (104.062, 67.806, 10.773), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 3271, " CB " at (101.040, 66.606, 9.576), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 3272, " SG " at (101.410, 67.560, 8.111), DEBUG: found_parm->rec_index = 5 was assigned atom type "SA" (rec_index= 5, atom_type= 5).
-Atom no. 3273, " N  " at (103.655, 65.609, 10.410), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 3274, " HN " at (102.929, 64.908, 10.262), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 3275, " CA " at (105.049, 65.188, 10.335), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 3276, " C  " at (105.683, 65.606, 9.009), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 3277, " O  " at (105.464, 64.993, 7.976), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 3278, " CB " at (105.153, 63.669, 10.538), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 3279, " CG " at (106.545, 63.221, 10.912), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 3280, " OD1" at (107.471, 64.070, 11.002), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 3281, " OD2" at (106.806, 62.020, 11.153), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 3282, " N  " at (106.474, 66.667, 9.070), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 3283, " HN " at (106.583, 67.140, 9.967), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 3284, " CA " at (107.195, 67.190, 7.918), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 3285, " C  " at (108.631, 66.660, 7.828), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 3286, " O  " at (109.318, 66.940, 6.867), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 3287, " CB " at (107.133, 68.770, 7.892), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 3288, " CG1" at (107.883, 69.364, 6.705), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 3289, " CG2" at (105.708, 69.220, 7.832), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 3290, " N  " at (109.071, 65.879, 8.816), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 3291, " HN " at (108.454, 65.658, 9.597), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 3292, " CA " at (110.439, 65.332, 8.791), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 3293, " C  " at (110.654, 64.440, 7.580), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 3294, " O  " at (109.763, 63.695, 7.183), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 3295, " CB " at (110.754, 64.559, 10.083), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 3296, " OG " at (109.934, 63.416, 10.188), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 3297, " HG " at (110.129, 62.939, 10.986), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 3298, " N  " at (111.829, 64.583, 6.975), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 3299, " HN " at (112.491, 65.256, 7.361), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 3300, " CA " at (112.223, 63.835, 5.796), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 3301, " C  " at (111.743, 64.404, 4.484), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 3302, " O  " at (111.957, 63.792, 3.450), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 3303, " N  " at (111.102, 65.569, 4.524), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 3304, " HN " at (111.004, 66.051, 5.418), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 3305, " CA " at (110.532, 66.179, 3.318), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 3306, " C  " at (111.598, 66.459, 2.259), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 3307, " O  " at (111.321, 66.440, 1.069), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 3308, " CB " at (109.768, 67.499, 3.605), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 3309, " CG1" at (110.714, 68.634, 4.028), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 3310, " CG2" at (108.956, 67.902, 2.383), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 3311, " N  " at (112.802, 66.749, 2.731), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 3312, " HN " at (112.960, 66.801, 3.737), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 3313, " CA " at (113.883, 66.990, 1.816), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 3314, " C  " at (114.777, 65.763, 1.683), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 3315, " O  " at (115.961, 65.900, 1.516), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 3316, " CB " at (114.666, 68.240, 2.220), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 3317, " CG " at (115.147, 69.049, 0.996), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 3318, " OD1" at (114.961, 68.609, -0.160), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 3319, " OD2" at (115.763, 70.123, 1.088), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 3320, " N  " at (114.205, 64.564, 1.769), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 3321, " HN " at (113.211, 64.505, 1.990), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 3322, " CA " at (114.968, 63.311, 1.553), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 3323, " C  " at (114.353, 62.497, 0.397), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 3324, " O  " at (113.274, 62.840, -0.070), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 3325, " CB " at (115.015, 62.467, 2.850), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 3326, " CG2" at (115.528, 63.295, 4.018), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 3327, " OG1" at (113.673, 62.085, 3.241), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 3328, " HG1" at (113.702, 61.567, 4.037), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 3329, " N  " at (115.019, 61.434, -0.069), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 3330, " HN " at (115.950, 61.225, 0.292), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 3331, " CA " at (114.426, 60.562, -1.096), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 3332, " C  " at (113.097, 59.843, -0.701), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 3333, " O  " at (112.221, 59.651, -1.547), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 3334, " CB " at (115.429, 59.547, -1.673), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 3335, " CG " at (116.883, 60.008, -1.922), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 3336, " CD " at (117.043, 61.208, -2.864), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 3337, " OE1" at (116.535, 61.178, -4.030), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 3338, " OE2" at (117.720, 62.180, -2.434), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 3339, " N  " at (112.945, 59.409, 0.548), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 3340, " HN " at (113.688, 59.555, 1.231), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 3341, " CA " at (111.703, 58.717, 0.948), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 3342, " C  " at (110.617, 59.691, 1.328), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 3343, " O  " at (109.467, 59.317, 1.475), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 3344, " CB " at (111.926, 57.681, 2.060), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 3345, " OG " at (112.691, 58.207, 3.117), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 3346, " HG " at (112.829, 57.566, 3.805), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 3347, " N  " at (110.994, 60.958, 1.482), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 3348, " HN " at (111.987, 61.187, 1.445), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 3349, " CA " at (110.032, 62.023, 1.701), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 3350, " C  " at (109.387, 62.097, 3.080), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 3351, " O  " at (109.635, 61.289, 3.985), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 3352, " N  " at (108.534, 63.090, 3.249), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 3353, " HN " at (108.407, 63.784, 2.512), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 3354, " CA " at (107.776, 63.195, 4.485), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 3355, " C  " at (106.428, 62.488, 4.307), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 3356, " O  " at (105.994, 62.271, 3.181), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 3357, " CB " at (107.574, 64.664, 4.869), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 3358, " N  " at (105.787, 62.132, 5.419), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 3359, " HN " at (106.257, 62.218, 6.320), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 3360, " CA " at (104.427, 61.623, 5.365), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 3361, " C  " at (103.558, 62.439, 6.335), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 3362, " O  " at (103.697, 62.309, 7.560), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 3363, " CB " at (104.366, 60.092, 5.672), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 3364, " CG2" at (102.956, 59.547, 5.429), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 3365, " OG1" at (105.165, 59.365, 4.718), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 3366, " HG1" at (105.128, 58.434, 4.905), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 3367, " N  " at (102.701, 63.285, 5.754), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 3368, " HN " at (102.692, 63.329, 4.735), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 3369, " CA " at (101.786, 64.142, 6.475), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 3370, " C  " at (100.421, 63.482, 6.509), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 3371, " O  " at (99.843, 63.126, 5.446), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 3372, " CB " at (101.685, 65.507, 5.782), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 3373, " SG " at (100.456, 66.625, 6.507), DEBUG: found_parm->rec_index = 5 was assigned atom type "SA" (rec_index= 5, atom_type= 5).
-Atom no. 3374, " N  " at (99.903, 63.313, 7.722), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 3375, " HN " at (100.419, 63.649, 8.536), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 3376, " CA " at (98.621, 62.662, 7.914), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 3377, " C  " at (97.538, 63.674, 8.210), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 3378, " O  " at (97.682, 64.465, 9.170), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 3379, " CB " at (98.697, 61.713, 9.074), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 3380, " CG " at (98.016, 60.402, 8.842), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 3381, " CD " at (98.172, 59.399, 9.981), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 3382, " NE " at (99.452, 59.507, 10.692), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 3383, " HE " at (99.493, 60.116, 11.509), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 3384, " CZ " at (100.570, 58.858, 10.339), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 3385, " NH1" at (100.578, 58.057, 9.261), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 3386, "1HH1" at (99.729, 57.954, 8.705), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 3387, "2HH1" at (101.429, 57.563, 8.992), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 3388, " NH2" at (101.688, 58.994, 11.072), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 3389, "1HH2" at (101.682, 59.602, 11.891), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 3390, "2HH2" at (102.539, 58.500, 10.803), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 3391, " N  " at (96.461, 63.626, 7.413), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 3392, " HN " at (96.443, 62.967, 6.635), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 3393, " CA " at (95.329, 64.488, 7.636), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 3394, " C  " at (94.106, 63.697, 8.064), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 3395, " O  " at (93.670, 62.777, 7.350), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 3396, " CB " at (95.025, 65.323, 6.372), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 3397, " CG1" at (96.173, 66.312, 6.096), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 3398, " CG2" at (93.708, 66.005, 6.553), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 3399, " CD1" at (96.103, 66.994, 4.657), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 3400, " N  " at (93.542, 64.067, 9.221), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 3401, " HN " at (93.884, 64.901, 9.699), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 3402, " CA " at (92.447, 63.302, 9.814), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 3403, " C  " at (91.122, 64.051, 9.665), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 3404, " O  " at (90.953, 65.179, 10.182), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 3405, " CB " at (92.777, 63.012, 11.288), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 3406, " CG " at (91.636, 62.461, 12.107), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 3407, " CD " at (92.046, 62.269, 13.609), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 3408, " CE " at (90.796, 62.011, 14.502), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 3409, " NZ " at (91.141, 61.890, 15.949), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 3410, " HZ1" at (90.322, 61.721, 16.534), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 3411, " HZ2" at (91.660, 62.707, 16.272), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 3412, " HZ3" at (91.852, 61.174, 16.098), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 3413, " N  " at (90.187, 63.458, 8.939), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 3414, " HN " at (90.357, 62.529, 8.554), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 3415, " CA " at (88.904, 64.132, 8.684), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 3416, " C  " at (87.731, 63.323, 9.151), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 3417, " O  " at (87.667, 62.090, 8.840), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 3418, " CB " at (88.759, 64.478, 7.192), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 3419, " CG1" at (89.806, 65.512, 6.826), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 3420, " CG2" at (87.374, 65.078, 6.909), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 3421, " CD1" at (89.976, 65.639, 5.380), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 3422, " N  " at (86.812, 63.977, 9.882), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 3423, " HN " at (86.948, 64.963, 10.105), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 3424, " CA " at (85.627, 63.287, 10.356), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 3425, " C  " at (84.499, 64.222, 10.726), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 3426, " O  " at (84.677, 65.475, 10.679), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 3427, " N  " at (83.337, 63.642, 11.059), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 3428, " HN " at (83.236, 62.627, 11.058), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 3429, " CA " at (82.226, 64.505, 11.422), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 3430, " C  " at (82.598, 65.043, 12.789), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 3431, " O  " at (83.023, 64.281, 13.643), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 3432, " CB " at (80.906, 63.759, 11.509), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 3433, " OG " at (79.954, 64.530, 12.253), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 3434, " HG " at (79.128, 64.063, 12.307), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 3435, " N  " at (82.484, 66.349, 12.946), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 3436, " HN " at (82.219, 66.915, 12.140), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 3437, " CA " at (82.720, 67.019, 14.221), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 3438, " C  " at (81.741, 66.688, 15.320), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 3439, " O  " at (82.169, 66.533, 16.464), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 3440, " CB " at (82.745, 68.539, 14.035), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 3441, " CG " at (83.399, 69.215, 15.202), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 3442, " CD1" at (82.805, 70.062, 16.112), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 3443, " CD2" at (84.751, 69.049, 15.640), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 3444, " CE2" at (84.930, 69.857, 16.781), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 3445, " CE3" at (85.859, 68.343, 15.144), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 3446, " NE1" at (83.721, 70.444, 17.063), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 3447, " HE1" at (83.533, 71.064, 17.851), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 3448, " CZ2" at (86.153, 69.928, 17.469), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 3449, " CZ3" at (87.072, 68.443, 15.807), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 3450, " CH2" at (87.208, 69.226, 16.964), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 3451, " N  " at (80.438, 66.573, 15.004), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 3452, " HN " at (80.146, 66.687, 14.033), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 3453, " CA " at (79.428, 66.286, 16.031), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 3454, " C  " at (78.552, 65.036, 15.852), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 3455, " O  " at (77.638, 64.845, 16.627), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 3456, " CB " at (78.476, 67.496, 16.196), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 3457, " CG2" at (79.271, 68.887, 16.089), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 3458, " OG1" at (77.565, 67.472, 15.092), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 3459, " HG1" at (76.981, 68.214, 15.193), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 3460, " N  " at (78.765, 64.229, 14.812), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 3461, " HN " at (79.557, 64.396, 14.191), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 3462, " CA " at (77.860, 63.099, 14.559), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 3463, " C  " at (78.639, 61.801, 14.720), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 3464, " O  " at (79.594, 61.534, 13.974), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 3465, " CB " at (77.234, 63.115, 13.181), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 3466, " CG " at (76.166, 64.136, 13.018), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 3467, " CD2" at (74.906, 64.178, 13.426), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 3468, " ND1" at (76.319, 65.267, 12.303), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 3469, " HD1" at (77.179, 65.535, 11.825), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 3470, " CE1" at (75.210, 65.983, 12.301), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 3471, " NE2" at (74.334, 65.341, 12.981), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 3472, " HE2" at (73.376, 65.643, 13.160), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 3473, " N  " at (78.219, 61.005, 15.678), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 3474, " HN " at (77.394, 61.260, 16.221), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 3475, " CA " at (78.913, 59.776, 15.969), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 3476, " C  " at (78.623, 58.652, 14.943), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 3477, " O  " at (77.863, 58.838, 13.996), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 3478, " CB " at (78.626, 59.338, 17.408), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 3479, " CG " at (77.172, 59.162, 17.695), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 3480, " CD2" at (76.363, 59.761, 18.579), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 3481, " ND1" at (76.369, 58.288, 17.022), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 3482, " HD1" at (76.681, 57.673, 16.270), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 3483, " CE1" at (75.132, 58.349, 17.480), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 3484, " NE2" at (75.105, 59.225, 18.445), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 3485, " HE2" at (74.289, 59.471, 19.005), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 3486, " N  " at (79.178, 57.450, 15.205), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 3487, " HN " at (79.604, 57.279, 16.116), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 3488, " CA " at (79.175, 56.378, 14.186), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 3489, " C  " at (77.772, 55.934, 13.777), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 3490, " O  " at (77.592, 55.482, 12.708), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 3491, " CB " at (80.074, 55.209, 14.582), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 3492, " OG " at (79.550, 54.486, 15.698), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 3493, " HG " at (80.109, 53.759, 15.944), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 3494, " N  " at (76.766, 56.137, 14.596), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 3495, " HN " at (76.925, 56.579, 15.501), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 3496, " CA " at (75.409, 55.726, 14.205), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 3497, " C  " at (74.670, 56.783, 13.356), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 3498, " O  " at (73.590, 56.528, 12.828), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 3499, " CB " at (74.583, 55.321, 15.426), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 3500, " CG " at (75.208, 54.197, 16.196), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 3501, " CD " at (74.373, 53.785, 17.368), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 3502, " NE " at (74.236, 54.850, 18.360), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 3503, " HE " at (75.082, 55.193, 18.815), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 3504, " CZ " at (73.087, 55.392, 18.701), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 3505, " NH1" at (71.954, 54.989, 18.148), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 3506, "1HH1" at (71.973, 54.259, 17.435), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 3507, "2HH1" at (71.063, 55.409, 18.412), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 3508, " NH2" at (73.062, 56.336, 19.623), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 3509, "1HH2" at (73.935, 56.647, 20.049), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 3510, "2HH2" at (72.171, 56.756, 19.887), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 3511, " N  " at (75.289, 57.940, 13.192), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 3512, " HN " at (76.227, 58.061, 13.573), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 3513, " CA " at (74.663, 59.043, 12.481), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 3514, " C  " at (75.400, 59.335, 11.184), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 3515, " O  " at (74.769, 59.509, 10.153), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 3516, " CB " at (74.559, 60.272, 13.392), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 3517, " CG " at (73.531, 60.102, 14.501), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 3518, " CD " at (73.429, 61.323, 15.422), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 3519, " OE1" at (73.935, 62.404, 15.088), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 3520, " OE2" at (72.820, 61.230, 16.481), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 3521, " N  " at (76.728, 59.358, 11.247), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 3522, " HN " at (77.168, 59.310, 12.166), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 3523, " CA " at (77.583, 59.448, 10.084), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 3524, " C  " at (78.703, 58.371, 10.076), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 3525, " O  " at (79.423, 58.194, 11.049), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 3526, " CB " at (78.172, 60.875, 9.983), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 3527, " CG1" at (77.071, 61.891, 9.621), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 3528, " CG2" at (79.298, 60.946, 8.983), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 3529, " CD1" at (77.624, 63.420, 9.438), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 3530, " N  " at (78.824, 57.648, 8.975), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 3531, " HN " at (78.050, 57.620, 8.311), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 3532, " CA " at (80.028, 56.895, 8.688), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 3533, " C  " at (80.848, 57.561, 7.590), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 3534, " O  " at (80.299, 58.089, 6.620), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 3535, " CB " at (79.719, 55.433, 8.373), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 3536, " OG " at (79.009, 55.282, 7.185), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 3537, " HG " at (78.817, 54.373, 6.989), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 3538, " N  " at (82.164, 57.580, 7.768), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 3539, " HN " at (82.565, 57.210, 8.630), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 3540, " CA " at (83.033, 58.123, 6.745), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 3541, " C  " at (83.882, 57.036, 6.145), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 3542, " O  " at (84.516, 56.252, 6.864), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 3543, " CB " at (83.904, 59.305, 7.210), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 3544, " CG1" at (83.054, 60.518, 7.393), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 3545, " CG2" at (84.610, 58.975, 8.494), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 3546, " N  " at (83.858, 56.974, 4.821), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 3547, " HN " at (83.230, 57.593, 4.308), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 3548, " CA " at (84.704, 56.047, 4.074), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 3549, " C  " at (85.460, 56.801, 2.984), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 3550, " O  " at (84.994, 57.846, 2.523), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 3551, " CB " at (83.875, 54.900, 3.456), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 3552, " CG " at (83.549, 53.806, 4.467), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 3553, " OD1" at (82.761, 54.092, 5.399), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 3554, " OD2" at (84.039, 52.636, 4.420), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 3555, " N  " at (86.625, 56.283, 2.576), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 3556, " CA " at (87.277, 56.820, 1.384), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 3557, " C  " at (86.428, 56.417, 0.173), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 3558, " O  " at (85.841, 55.323, 0.194), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 3559, " CB " at (88.651, 56.133, 1.391), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 3560, " CG " at (88.450, 54.853, 2.177), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 3561, " CD " at (87.413, 55.199, 3.207), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 3562, " N  " at (86.311, 57.299, -0.817), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 3563, " HN " at (86.676, 58.242, -0.684), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 3564, " CA " at (85.672, 56.958, -2.097), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 3565, " C  " at (86.217, 55.630, -2.590), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 3566, " O  " at (87.436, 55.407, -2.600), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 3567, " CB " at (85.923, 58.048, -3.160), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 3568, " CG2" at (84.729, 58.149, -4.148), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 3569, " OG1" at (85.967, 59.335, -2.534), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 3570, " HG1" at (86.122, 60.006, -3.188), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 3571, " N  " at (85.304, 54.753, -2.991), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 3572, " HN " at (84.352, 55.083, -3.150), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 3573, " CA " at (85.599, 53.325, -3.218), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 3574, " C  " at (86.501, 53.032, -4.441), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 3575, " O  " at (87.065, 51.928, -4.562), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 3576, " CB " at (84.286, 52.509, -3.296), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 3577, " CG2" at (83.785, 52.139, -1.891), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 3578, " OG1" at (83.244, 53.336, -3.826), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 3579, " HG1" at (82.438, 52.835, -3.874), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 3580, " N  " at (86.636, 54.031, -5.318), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 3581, " HN " at (86.070, 54.868, -5.180), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 3582, " CA " at (87.548, 54.000, -6.468), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 3583, " C  " at (89.002, 53.666, -6.087), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 3584, " O  " at (89.465, 53.999, -4.974), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 3585, " CB " at (87.511, 55.355, -7.208), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 3586, " CG " at (86.120, 55.821, -7.671), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 3587, " CD " at (86.044, 57.321, -7.996), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 3588, " OE1" at (87.063, 57.893, -8.472), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 3589, " OE2" at (84.959, 57.928, -7.780), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 3590, " N  " at (89.710, 53.010, -7.013), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 3591, " HN " at (89.215, 52.627, -7.819), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 3592, " CA " at (91.166, 52.812, -6.929), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 3593, " C  " at (91.942, 54.141, -6.934), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 3594, " O  " at (93.158, 54.149, -6.687), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 3595, " CB " at (91.656, 51.992, -8.136), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 3596, " CG " at (91.470, 50.484, -7.961), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 3597, " ND2" at (91.791, 49.722, -9.013), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 3598, "1HD2" at (91.667, 48.716, -8.896), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 3599, "2HD2" at (92.137, 50.113, -9.889), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 3600, " OD1" at (91.052, 50.011, -6.901), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 3601, " N  " at (91.218, 55.246, -7.180), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 3602, " HN " at (90.249, 55.267, -6.861), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 3603, " CA " at (91.743, 56.430, -7.884), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 3604, " C  " at (93.015, 57.096, -7.335), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 3605, " O  " at (93.338, 56.996, -6.140), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 3606, " CB " at (90.626, 57.462, -8.120), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 3607, " OG " at (90.304, 58.149, -6.919), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 3608, " HG " at (89.614, 58.786, -7.065), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 3609, " N  " at (93.728, 57.766, -8.244), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 3610, " HN " at (93.428, 57.734, -9.218), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 3611, " CA " at (94.918, 58.542, -7.906), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 3612, " C  " at (94.549, 59.911, -7.306), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 3613, " O  " at (94.084, 60.811, -8.019), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 3614, " CB " at (95.815, 58.721, -9.136), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 3615, " CG " at (97.262, 59.027, -8.770), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 3616, " OD1" at (97.524, 59.552, -7.664), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 3617, " OD2" at (98.215, 58.783, -9.539), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 3618, " N  " at (94.767, 60.067, -6.002), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 3619, " HN " at (95.059, 59.267, -5.441), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 3620, " CA " at (94.593, 61.368, -5.367), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 3621, " C  " at (95.726, 62.386, -5.620), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 3622, " O  " at (95.681, 63.511, -5.116), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 3623, " CB " at (94.356, 61.189, -3.876), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 3624, " CG " at (93.212, 60.247, -3.588), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 3625, " OD1" at (92.256, 60.180, -4.414), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 3626, " OD2" at (93.184, 59.539, -2.555), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 3627, " N  " at (96.735, 61.997, -6.396), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 3628, " HN " at (96.759, 61.039, -6.747), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 3629, " CA " at (97.812, 62.925, -6.754), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 3630, " C  " at (97.805, 63.255, -8.233), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 3631, " O  " at (98.755, 63.839, -8.751), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 3632, " CB " at (99.159, 62.354, -6.331), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 3633, " OG " at (99.582, 61.319, -7.192), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 3634, " HG " at (100.422, 60.963, -6.928), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 3635, " N  " at (96.731, 62.860, -8.911), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 3636, " HN " at (95.958, 62.438, -8.396), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 3637, " CA " at (96.608, 63.004, -10.368), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 3638, " C  " at (96.602, 64.451, -10.892), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 3639, " O  " at (97.134, 64.700, -11.979), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 3640, " CB " at (95.333, 62.320, -10.850), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 3641, " CG " at (94.884, 62.813, -12.226), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 3642, " CD " at (93.843, 61.919, -12.880), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 3643, " OE1" at (92.874, 61.489, -12.192), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 3644, " OE2" at (94.001, 61.652, -14.085), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 3645, " N  " at (95.979, 65.367, -10.136), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 3646, " HN " at (95.664, 65.086, -9.207), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 3647, " CA " at (95.723, 66.743, -10.560), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 3648, " C  " at (96.721, 67.704, -9.916), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 3649, " O  " at (96.570, 68.920, -9.959), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 3650, " CB " at (94.269, 67.150, -10.234), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 3651, " CG " at (93.285, 66.288, -10.968), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 3652, " CD1" at (93.266, 66.285, -12.365), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 3653, " CD2" at (92.425, 65.414, -10.279), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 3654, " CE1" at (92.406, 65.462, -13.064), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 3655, " CE2" at (91.561, 64.581, -10.971), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 3656, " CZ " at (91.557, 64.618, -12.366), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 3657, " OH " at (90.721, 63.815, -13.093), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 3658, " HH " at (90.139, 63.236, -12.614), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 3659, " N  " at (97.761, 67.129, -9.349), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 3660, " HN " at (97.868, 66.117, -9.416), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 3661, " CA " at (98.762, 67.903, -8.629), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 3662, " C  " at (99.549, 68.773, -9.585), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 3663, " O  " at (99.867, 68.359, -10.687), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 3664, " CB " at (99.668, 66.972, -7.845), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 3665, " CG " at (100.543, 67.676, -6.861), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 3666, " CD1" at (100.015, 68.180, -5.694), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 3667, " CD2" at (101.900, 67.838, -7.108), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 3668, " CE1" at (100.820, 68.830, -4.767), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 3669, " CE2" at (102.714, 68.485, -6.208), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 3670, " CZ " at (102.204, 68.986, -5.030), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 3671, " N  " at (99.829, 69.999, -9.167), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 3672, " HN " at (99.573, 70.283, -8.221), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 3673, " CA " at (100.504, 70.949, -10.054), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 3674, " C  " at (101.917, 70.487, -10.456), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 3675, " O  " at (102.727, 70.124, -9.595), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 3676, " CB " at (100.568, 72.340, -9.425), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 3677, " OG " at (101.430, 73.156, -10.219), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 3678, " HG " at (101.470, 74.021, -9.828), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 3679, " N  " at (102.221, 70.521, -11.760), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 3680, " HN " at (101.489, 70.734, -12.438), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 3681, " CA " at (103.588, 70.257, -12.235), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 3682, " C  " at (104.580, 71.375, -11.884), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 3683, " O  " at (105.783, 71.193, -12.035), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 3684, " CB " at (103.606, 70.032, -13.750), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 3685, " CG " at (103.283, 71.298, -14.530), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 3686, " CD " at (103.116, 71.085, -16.000), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 3687, " NE2" at (101.868, 71.192, -16.486), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 3688, "1HE2" at (101.055, 71.376, -15.898), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 3689, "2HE2" at (101.754, 71.047, -17.489), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 3690, " OE1" at (104.101, 70.862, -16.712), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 3691, " N  " at (104.074, 72.512, -11.411), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 3692, " HN " at (103.070, 72.564, -11.240), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 3693, " CA " at (104.888, 73.682, -11.127), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 3694, " C  " at (105.254, 73.784, -9.668), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 3695, " O  " at (106.145, 74.552, -9.314), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 3696, " CB " at (104.164, 74.934, -11.612), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 3697, " CG " at (103.944, 74.864, -13.083), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 3698, " CD1" at (104.989, 74.590, -13.943), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 3699, " CD2" at (102.692, 75.000, -13.618), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 3700, " CE1" at (104.788, 74.485, -15.321), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 3701, " CE2" at (102.489, 74.907, -14.983), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 3702, " CZ " at (103.517, 74.648, -15.825), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 3703, " OH " at (103.271, 74.563, -17.192), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 3704, " HH " at (103.992, 74.381, -17.783), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 3705, " N  " at (104.591, 72.983, -8.839), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 3706, " HN " at (103.799, 72.444, -9.190), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 3707, " CA " at (104.974, 72.860, -7.436), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 3708, " C  " at (106.453, 72.585, -7.244), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 3709, " O  " at (107.117, 72.017, -8.116), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 3710, " CB " at (104.149, 71.788, -6.730), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 3711, " OG " at (104.379, 71.870, -5.343), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 3712, " HG " at (103.865, 71.203, -4.903), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 3713, " N  " at (106.951, 72.988, -6.072), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 3714, " HN " at (106.340, 73.499, -5.435), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 3715, " CA " at (108.310, 72.735, -5.664), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 3716, " C  " at (108.391, 71.302, -5.141), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 3717, " O  " at (109.485, 70.799, -4.883), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 3718, " CB " at (108.621, 73.646, -4.496), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 3719, " CG " at (109.573, 74.751, -4.807), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 3720, " CD " at (109.950, 75.523, -3.517), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 3721, " NE " at (108.746, 75.826, -2.735), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 3722, " HE " at (107.840, 75.668, -3.175), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 3723, " CZ " at (108.758, 76.295, -1.486), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 3724, " NH1" at (109.930, 76.525, -0.875), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 3725, "1HH1" at (109.939, 76.884, 0.080), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 3726, "2HH1" at (110.813, 76.337, -1.350), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 3727, " NH2" at (107.595, 76.543, -0.861), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 3728, "1HH2" at (107.604, 76.902, 0.094), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 3729, "2HH2" at (106.704, 76.368, -1.326), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 3730, " N  " at (107.221, 70.675, -4.980), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 3731, " HN " at (106.371, 71.130, -5.312), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 3732, " CA " at (107.114, 69.361, -4.345), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 3733, " C  " at (106.656, 68.335, -5.348), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 3734, " O  " at (106.132, 68.695, -6.387), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 3735, " CB " at (106.131, 69.431, -3.188), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 3736, " CG " at (106.494, 70.493, -2.174), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 3737, " CD1" at (107.421, 70.234, -1.178), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 3738, " CD2" at (105.969, 71.780, -2.266), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 3739, " CE1" at (107.778, 71.229, -0.242), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 3740, " CE2" at (106.325, 72.774, -1.350), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 3741, " CZ " at (107.229, 72.494, -0.323), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 3742, " N  " at (106.853, 67.063, -5.036), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 3743, " HN " at (107.477, 66.824, -4.265), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 3744, " CA " at (106.191, 66.004, -5.779), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 3745, " C  " at (105.577, 65.008, -4.814), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 3746, " O  " at (106.126, 64.789, -3.738), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 3747, " CB " at (107.162, 65.309, -6.700), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 3748, " CG " at (108.412, 64.778, -6.022), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 3749, " CD " at (109.389, 64.169, -6.990), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 3750, " OE1" at (109.013, 63.961, -8.172), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 3751, " OE2" at (110.558, 63.871, -6.577), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 3752, " N  " at (104.432, 64.441, -5.194), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 3753, " HN " at (104.033, 64.706, -6.095), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 3754, " CA " at (103.728, 63.466, -4.387), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 3755, " C  " at (104.190, 62.059, -4.757), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 3756, " O  " at (104.190, 61.687, -5.918), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 3757, " CB " at (102.224, 63.603, -4.614), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 3758, " CG1" at (101.750, 64.968, -4.085), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 3759, " CG2" at (101.468, 62.391, -3.975), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 3760, " CD1" at (100.268, 65.206, -4.255), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 3761, " N  " at (104.593, 61.293, -3.757), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 3762, " HN " at (104.563, 61.657, -2.805), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 3763, " CA " at (105.082, 59.930, -3.992), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 3764, " C  " at (103.950, 58.930, -3.859), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 3765, " O  " at (103.942, 57.941, -4.550), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 3766, " CB " at (106.228, 59.562, -3.033), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 3767, " CG " at (107.430, 60.506, -3.065), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 3768, " CD1" at (108.359, 60.238, -1.925), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 3769, " CD2" at (108.160, 60.398, -4.415), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 3770, " N  " at (103.006, 59.213, -2.971), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 3771, " HN " at (103.040, 60.122, -2.509), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 3772, " CA " at (101.925, 58.306, -2.616), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 3773, " C  " at (100.882, 59.002, -1.739), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 3774, " O  " at (101.219, 59.833, -0.905), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 3775, " CB " at (102.460, 57.089, -1.848), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 3776, " CG " at (101.709, 55.787, -2.183), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 3777, " OD1" at (100.625, 55.833, -2.820), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 3778, " OD2" at (102.148, 54.661, -1.841), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 3779, " N  " at (99.627, 58.622, -1.951), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 3780, " HN " at (99.431, 58.064, -2.782), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 3781, " CA " at (98.518, 58.950, -1.076), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 3782, " C  " at (97.789, 57.664, -0.648), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 3783, " O  " at (97.333, 56.908, -1.489), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 3784, " CB " at (97.526, 59.944, -1.761), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 3785, " CG1" at (96.429, 60.368, -0.802), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 3786, " CG2" at (98.257, 61.173, -2.298), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 3787, " N  " at (97.721, 57.398, 0.655), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 3788, " HN " at (98.249, 57.977, 1.308), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 3789, " CA " at (96.904, 56.290, 1.178), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 3790, " C  " at (95.868, 56.763, 2.180), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 3791, " O  " at (96.012, 57.841, 2.739), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 3792, " CB " at (97.775, 55.221, 1.830), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 3793, " CG2" at (98.733, 54.566, 0.787), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 3794, " OG1" at (98.639, 55.836, 2.799), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 3795, " HG1" at (99.181, 55.170, 3.205), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 3796, " N  " at (94.850, 55.936, 2.410), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 3797, " HN " at (94.819, 55.054, 1.899), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 3798, " CA " at (93.773, 56.228, 3.359), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 3799, " C  " at (93.513, 55.059, 4.321), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 3800, " O  " at (93.773, 53.906, 3.996), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 3801, " CB " at (92.465, 56.531, 2.613), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 3802, " CG " at (92.592, 57.549, 1.480), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 3803, " CD " at (93.067, 56.928, 0.170), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 3804, " NE2" at (93.948, 57.653, -0.538), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 3805, "1HE2" at (94.266, 57.238, -1.414), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 3806, "2HE2" at (94.286, 58.565, -0.231), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 3807, " OE1" at (92.651, 55.805, -0.208), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 3808, " N  " at (92.992, 55.371, 5.507), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 3809, " HN " at (92.828, 56.350, 5.741), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 3810, " CA " at (92.650, 54.327, 6.485), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 3811, " C  " at (91.463, 54.878, 7.262), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 3812, " O  " at (91.459, 56.059, 7.617), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 3813, " CB " at (93.856, 54.079, 7.393), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 3814, " CG " at (93.673, 52.972, 8.405), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 3815, " CD " at (94.999, 52.482, 8.957), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 3816, " CE " at (94.812, 51.900, 10.372), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 3817, " NZ " at (94.723, 53.000, 11.396), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 3818, " HZ1" at (94.599, 52.615, 12.332), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 3819, " HZ2" at (93.991, 53.672, 11.165), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 3820, " HZ3" at (95.527, 53.625, 11.349), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 3821, " N  " at (90.440, 54.061, 7.503), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 3822, " HN " at (90.423, 53.126, 7.096), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 3823, " CA " at (89.345, 54.510, 8.352), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 3824, " C  " at (89.767, 54.250, 9.777), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 3825, " O  " at (90.453, 53.237, 10.041), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 3826, " CB " at (88.022, 53.803, 8.055), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 3827, " CG " at (87.738, 53.279, 6.639), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 3828, " CD " at (86.667, 52.124, 6.743), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 3829, " CE " at (87.193, 50.824, 6.072), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 3830, " NZ " at (86.850, 49.540, 6.780), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 3831, " HZ1" at (87.195, 48.687, 6.340), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 3832, " HZ2" at (85.841, 49.477, 6.918), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 3833, " HZ3" at (87.163, 49.583, 7.750), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 3834, " N  " at (89.443, 55.166, 10.689), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 3835, " HN " at (89.105, 56.079, 10.385), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 3836, " CA " at (89.564, 54.883, 12.120), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 3837, " C  " at (88.246, 55.179, 12.783), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 3838, " O  " at (87.377, 55.749, 12.164), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 3839, " CB " at (90.680, 55.680, 12.847), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 3840, " CG " at (92.068, 55.426, 12.272), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 3841, " ND2" at (92.478, 56.304, 11.328), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 3842, "1HD2" at (91.916, 57.100, 11.027), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 3843, "2HD2" at (93.407, 56.134, 10.943), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 3844, " OD1" at (92.772, 54.428, 12.649), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 3845, " N  " at (88.101, 54.804, 14.049), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 3846, " HN " at (88.813, 54.223, 14.492), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 3847, " CA " at (86.943, 55.214, 14.798), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 3848, " C  " at (87.336, 55.410, 16.241), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 3849, " O  " at (87.809, 54.470, 16.890), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 3850, " CB " at (85.851, 54.173, 14.695), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 3851, " OG " at (84.621, 54.865, 14.680), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 3852, " HG " at (83.935, 54.211, 14.615), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 3853, " N  " at (87.086, 56.602, 16.762), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 3854, " HN " at (86.510, 57.274, 16.255), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 3855, " CA " at (87.637, 56.943, 18.056), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 3856, " C  " at (86.628, 57.531, 19.033), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 3857, " O  " at (85.596, 58.083, 18.668), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 3858, " CB " at (88.912, 57.871, 17.995), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 3859, " CG1" at (90.113, 57.080, 18.213), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 3860, " CG2" at (89.031, 58.618, 16.682), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 3861, " N  " at (86.952, 57.326, 20.298), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 3862, " HN " at (87.771, 56.755, 20.507), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 3863, " CA " at (86.199, 57.873, 21.386), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 3864, " C  " at (86.996, 59.069, 21.939), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 3865, " O  " at (88.242, 59.088, 21.849), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 3866, " CB " at (85.977, 56.758, 22.419), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 3867, " CG2" at (85.036, 57.227, 23.517), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 3868, " OG1" at (85.170, 55.714, 21.813), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 3869, " HG1" at (85.033, 55.024, 22.452), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 3870, " N  " at (86.279, 60.063, 22.457), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 3871, " HN " at (85.262, 59.993, 22.428), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 3872, " CA " at (86.879, 61.259, 23.070), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 3873, " C  " at (86.370, 61.355, 24.454), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 3874, " O  " at (85.281, 60.850, 24.743), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 3875, " CB " at (86.533, 62.556, 22.295), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 3876, " CG " at (87.034, 62.459, 20.903), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 3877, " CD1" at (86.264, 61.833, 19.921), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 3878, " CD2" at (88.297, 62.935, 20.560), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 3879, " CE1" at (86.724, 61.698, 18.654), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 3880, " CE2" at (88.783, 62.787, 19.284), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 3881, " CZ " at (87.984, 62.173, 18.339), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 3882, " OH " at (88.445, 62.000, 17.074), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 3883, " HH " at (89.311, 62.326, 16.858), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 3884, " N  " at (87.142, 62.013, 25.315), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 3885, " HN " at (88.007, 62.437, 24.980), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 3886, " CA " at (86.787, 62.147, 26.732), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 3887, " C  " at (85.429, 62.790, 26.957), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 3888, " O  " at (84.780, 62.563, 27.967), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 3889, " CB " at (87.860, 62.961, 27.441), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 3890, " OG " at (89.016, 62.140, 27.624), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 3891, " HG " at (89.686, 62.648, 28.067), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 3892, " N  " at (85.000, 63.584, 25.993), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 3893, " HN " at (85.524, 63.631, 25.119), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 3894, " CA " at (83.805, 64.391, 26.143), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 3895, " C  " at (82.496, 63.597, 26.099), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 3896, " O  " at (81.479, 64.004, 26.680), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 3897, " CB " at (83.799, 65.414, 25.031), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 3898, " SG " at (83.599, 64.684, 23.383), DEBUG: found_parm->rec_index = 5 was assigned atom type "SA" (rec_index= 5, atom_type= 5).
-Atom no. 3899, " N  " at (82.512, 62.457, 25.420), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 3900, " HN " at (83.400, 61.984, 25.251), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 3901, " CA " at (81.280, 61.873, 24.914), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 3902, " C  " at (81.403, 60.348, 24.883), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 3903, " O  " at (82.498, 59.827, 24.676), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 3904, " CB " at (81.033, 62.413, 23.497), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 3905, " SG " at (81.591, 64.135, 23.100), DEBUG: found_parm->rec_index = 5 was assigned atom type "SA" (rec_index= 5, atom_type= 5).
-Atom no. 3906, " N  " at (80.308, 59.618, 25.096), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 3907, " CA " at (80.403, 58.150, 25.203), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 3908, " C  " at (80.459, 57.411, 23.844), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 3909, " O  " at (80.714, 56.203, 23.820), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 3910, " CB " at (79.121, 57.791, 25.947), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 3911, " CG " at (78.093, 58.828, 25.383), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 3912, " CD " at (78.921, 60.098, 25.277), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 3913, " N  " at (80.225, 58.084, 22.731), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 3914, " HN " at (80.074, 59.093, 22.737), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 3915, " CA " at (80.193, 57.312, 21.493), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 3916, " C  " at (81.421, 57.423, 20.584), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 3917, " O  " at (82.276, 58.301, 20.734), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 3918, " CB " at (78.861, 57.414, 20.731), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 3919, " CG " at (77.667, 57.015, 21.590), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 3920, " CD " at (76.363, 56.886, 20.827), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 3921, " OE1" at (76.381, 56.288, 19.731), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 3922, " OE2" at (75.318, 57.394, 21.302), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 3923, " N  " at (81.513, 56.498, 19.657), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 3924, " HN " at (80.789, 55.783, 19.587), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 3925, " CA " at (82.620, 56.479, 18.739), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 3926, " C  " at (82.327, 57.404, 17.549), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 3927, " O  " at (81.204, 57.458, 17.036), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 3928, " CB " at (82.881, 55.069, 18.288), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 3929, " N  " at (83.367, 58.093, 17.107), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 3930, " HN " at (84.255, 58.016, 17.603), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 3931, " CA " at (83.287, 58.965, 15.926), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 3932, " C  " at (84.191, 58.433, 14.815), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 3933, " O  " at (85.344, 58.076, 15.055), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 3934, " CB " at (83.685, 60.408, 16.301), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 3935, " CG " at (82.692, 61.042, 17.241), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 3936, " CD1" at (82.753, 60.794, 18.604), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 3937, " CD2" at (81.677, 61.874, 16.765), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 3938, " CE1" at (81.835, 61.360, 19.475), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 3939, " CE2" at (80.755, 62.463, 17.638), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 3940, " CZ " at (80.844, 62.184, 18.986), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 3941, " OH " at (79.986, 62.684, 19.898), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 3942, " HH " at (79.303, 63.252, 19.561), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 3943, " N  " at (83.677, 58.393, 13.597), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 3944, " HN " at (82.712, 58.681, 13.436), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 3945, " CA " at (84.497, 57.937, 12.494), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 3946, " C  " at (85.339, 59.035, 11.832), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 3947, " O  " at (84.909, 60.209, 11.677), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 3948, " CB " at (83.650, 57.205, 11.459), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 3949, " CG " at (83.061, 55.916, 12.036), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 3950, " CD " at (82.372, 55.052, 10.996), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 3951, " OE1" at (82.492, 55.363, 9.783), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 3952, " OE2" at (81.713, 54.070, 11.413), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 3953, " N  " at (86.525, 58.608, 11.396), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 3954, " HN " at (86.833, 57.660, 11.615), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 3955, " CA " at (87.377, 59.476, 10.617), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 3956, " C  " at (88.066, 58.762, 9.458), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 3957, " O  " at (88.225, 57.508, 9.450), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 3958, " CB " at (88.381, 60.194, 11.524), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 3959, " CG " at (89.462, 59.278, 12.082), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 3960, " OD1" at (90.329, 58.794, 11.309), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 3961, " OD2" at (89.559, 59.019, 13.313), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 3962, " N  " at (88.438, 59.536, 8.450), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 3963, " HN " at (88.048, 60.473, 8.348), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 3964, " CA " at (89.407, 59.035, 7.492), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 3965, " C  " at (90.759, 59.725, 7.707), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 3966, " O  " at (90.815, 60.935, 7.851), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 3967, " CB " at (88.918, 59.203, 6.052), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 3968, " CG1" at (90.029, 58.826, 5.062), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 3969, " CG2" at (87.699, 58.300, 5.824), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 3970, " N  " at (91.827, 58.937, 7.746), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 3971, " HN " at (91.695, 57.926, 7.742), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 3972, " CA " at (93.187, 59.475, 7.795), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 3973, " C  " at (93.792, 59.417, 6.427), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 3974, " O  " at (93.917, 58.353, 5.856), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 3975, " CB " at (94.082, 58.735, 8.799), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 3976, " CG " at (94.007, 59.359, 10.203), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 3977, " CD " at (94.564, 58.488, 11.343), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 3978, " OE1" at (95.176, 57.399, 11.070), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 3979, " OE2" at (94.368, 58.908, 12.531), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 3980, " N  " at (94.154, 60.573, 5.882), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 3981, " HN " at (94.001, 61.439, 6.399), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 3982, " CA " at (94.767, 60.630, 4.558), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 3983, " C  " at (96.259, 60.908, 4.720), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 3984, " O  " at (96.660, 61.959, 5.265), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 3985, " CB " at (94.092, 61.710, 3.694), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 3986, " CG1" at (94.769, 61.845, 2.328), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 3987, " CG2" at (92.607, 61.399, 3.519), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 3988, " N  " at (97.069, 59.941, 4.307), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 3989, " HN " at (96.655, 59.103, 3.898), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 3990, " CA " at (98.525, 60.017, 4.409), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 3991, " C  " at (99.136, 60.452, 3.081), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 3992, " O  " at (99.094, 59.717, 2.105), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 3993, " CB " at (99.131, 58.679, 4.848), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 3994, " OG " at (98.731, 58.373, 6.179), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 3995, " HG " at (99.107, 57.544, 6.451), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 3996, " N  " at (99.678, 61.666, 3.071), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 3997, " HN " at (99.656, 62.202, 3.939), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 3998, " CA " at (100.293, 62.277, 1.923), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 3999, " C  " at (101.827, 62.118, 2.036), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 4000, " O  " at (102.475, 62.731, 2.887), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 4001, " CB " at (99.915, 63.765, 1.886), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 4002, " CG " at (100.581, 64.714, 0.857), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 4003, " CD1" at (100.204, 64.336, -0.573), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 4004, " CD2" at (100.220, 66.162, 1.130), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 4005, " N  " at (102.383, 61.280, 1.179), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 4006, " HN " at (101.779, 60.787, 0.522), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 4007, " CA " at (103.815, 61.026, 1.127), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 4008, " C  " at (104.379, 61.899, 0.012), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 4009, " O  " at (104.066, 61.678, -1.166), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 4010, " CB " at (104.099, 59.533, 0.865), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 4011, " CG " at (105.604, 59.180, 0.905), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 4012, " ND2" at (106.377, 59.954, 1.669), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 4013, "1HD2" at (107.370, 59.721, 1.695), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 4014, "2HD2" at (106.006, 60.742, 2.200), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 4015, " OD1" at (106.058, 58.214, 0.255), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 4016, " N  " at (105.170, 62.905, 0.389), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 4017, " HN " at (105.422, 62.992, 1.373), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 4018, " CA " at (105.687, 63.887, -0.565), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 4019, " C  " at (107.127, 64.321, -0.223), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 4020, " O  " at (107.579, 64.067, 0.867), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 4021, " CB " at (104.756, 65.101, -0.623), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 4022, " CG " at (104.824, 65.987, 0.590), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 4023, " CD1" at (104.258, 65.599, 1.793), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 4024, " CD2" at (105.456, 67.216, 0.518), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 4025, " CE1" at (104.331, 66.416, 2.903), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 4026, " CE2" at (105.524, 68.054, 1.626), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 4027, " CZ " at (104.969, 67.651, 2.825), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 4028, " N  " at (107.835, 64.990, -1.135), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 4029, " HN " at (107.428, 65.137, -2.059), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 4030, " CA " at (109.178, 65.524, -0.863), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 4031, " C  " at (109.489, 66.754, -1.743), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 4032, " O  " at (108.835, 66.956, -2.767), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 4033, " CB " at (110.270, 64.458, -1.097), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 4034, " CG " at (110.503, 64.126, -2.559), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 4035, " CD " at (111.354, 62.865, -2.834), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 4036, " NE " at (111.370, 62.590, -4.269), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 4037, " HE " at (111.073, 63.341, -4.892), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 4038, " CZ " at (111.739, 61.443, -4.832), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 4039, " NH1" at (112.157, 60.415, -4.100), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 4040, "1HH1" at (112.182, 60.504, -3.084), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 4041, "2HH1" at (112.440, 59.535, -4.532), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 4042, " NH2" at (111.707, 61.328, -6.149), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 4043, "1HH2" at (111.386, 62.117, -6.711), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 4044, "2HH2" at (111.990, 60.448, -6.581), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 4045, " N  " at (110.501, 67.545, -1.387), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 4046, " HN " at (110.988, 67.408, -0.502), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 4047, " CA " at (110.894, 68.621, -2.308), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 4048, " C  " at (111.578, 68.013, -3.548), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 4049, " O  " at (112.111, 66.890, -3.487), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 4050, " CB " at (111.743, 69.723, -1.635), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 4051, " CG " at (111.316, 70.102, -0.163), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 4052, " CD " at (111.348, 71.666, 0.087), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 4053, " CE " at (112.165, 72.128, 1.339), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 4054, " NZ " at (112.897, 73.464, 1.052), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 4055, " HZ1" at (113.430, 73.765, 1.868), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 4056, " HZ2" at (112.253, 74.187, 0.733), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 4057, " HZ3" at (113.483, 73.403, 0.219), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 4058, " N  " at (111.519, 68.729, -4.668), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 4059, " HN " at (110.990, 69.601, -4.669), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 4060, " CA " at (112.173, 68.315, -5.871), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 4061, " C  " at (113.620, 68.767, -5.750), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 4062, " O  " at (113.943, 69.563, -4.868), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 4063, " CB " at (111.522, 68.978, -7.111), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 4064, " CG " at (110.065, 68.574, -7.398), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 4065, " CD " at (109.640, 69.107, -8.787), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 4066, " CE " at (108.121, 69.025, -8.969), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 4067, " NZ " at (107.693, 69.598, -10.249), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 4068, " HZ1" at (106.682, 69.543, -10.370), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 4069, " HZ2" at (108.184, 69.166, -11.032), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 4070, " HZ3" at (108.029, 70.555, -10.358), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 4071, " N  " at (114.484, 68.265, -6.627), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 4072, " HN " at (114.162, 67.552, -7.281), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 4073, " CA " at (115.875, 68.698, -6.687), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 4074, " C  " at (116.025, 69.948, -7.537), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 4075, " O  " at (115.023, 70.656, -7.818), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 4076, " N  " at (56.073, 60.939, 19.810), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 4077, " HN1" at (56.513, 61.626, 20.423), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 4078, " HN2" at (55.784, 60.108, 20.325), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 4079, " HN3" at (55.156, 61.253, 19.492), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 4080, " CA " at (56.968, 60.590, 18.656), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 4081, " C  " at (57.362, 61.816, 17.823), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 4082, " O  " at (56.498, 62.464, 17.219), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 4083, " CB " at (56.309, 59.561, 17.738), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 4084, " CG " at (56.850, 58.131, 17.846), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 4085, " CD " at (56.042, 57.105, 17.032), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 4086, " OE1" at (56.396, 56.881, 15.850), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 4087, " OE2" at (55.056, 56.505, 17.562), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 4088, " N  " at (58.666, 62.110, 17.796), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 4089, " HN " at (59.285, 61.603, 18.428), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 4090, " CA " at (59.254, 63.110, 16.918), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 4091, " C  " at (60.400, 62.484, 16.161), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 4092, " O  " at (61.104, 61.644, 16.709), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 4093, " CB " at (59.839, 64.274, 17.731), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 4094, " CG " at (58.922, 64.816, 18.763), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 4095, " CD1" at (57.816, 65.581, 18.389), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 4096, " CD2" at (59.148, 64.568, 20.111), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 4097, " CE1" at (56.942, 66.110, 19.355), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 4098, " CE2" at (58.277, 65.083, 21.091), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 4099, " CZ " at (57.172, 65.863, 20.713), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 4100, " N  " at (60.590, 62.895, 14.915), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 4101, " HN " at (59.861, 63.428, 14.440), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 4102, " CA " at (61.830, 62.591, 14.223), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 4103, " C  " at (62.780, 63.783, 14.360), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 4104, " O  " at (62.388, 64.847, 14.931), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 4105, " CB " at (61.590, 62.151, 12.768), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 4106, " CG " at (60.963, 63.235, 11.905), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 4107, " OD1" at (60.967, 64.419, 12.297), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 4108, " OD2" at (60.438, 62.988, 10.804), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 4109, " N  " at (64.001, 63.616, 13.852), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 4110, " HN " at (64.231, 62.735, 13.392), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 4111, " CA " at (65.013, 64.654, 13.936), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 4112, " C  " at (64.517, 65.983, 13.367), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 4113, " O  " at (64.726, 67.020, 13.994), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 4114, " CB " at (66.293, 64.212, 13.226), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 4115, " CG " at (67.286, 63.538, 14.120), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 4116, " CD " at (68.310, 62.678, 13.371), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 4117, " NE " at (69.116, 61.933, 14.329), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 4118, " HE " at (69.847, 62.440, 14.828), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 4119, " CZ " at (68.968, 60.639, 14.600), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 4120, " NH1" at (68.055, 59.884, 13.963), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 4121, "1HH1" at (67.447, 60.307, 13.262), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 4122, "2HH1" at (67.942, 58.892, 14.171), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 4123, " NH2" at (69.758, 60.090, 15.511), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 4124, "1HH2" at (70.450, 60.663, 15.994), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 4125, "2HH2" at (69.645, 59.098, 15.719), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 4126, " N  " at (63.871, 65.939, 12.202), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 4127, " HN " at (63.794, 65.037, 11.732), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 4128, " CA " at (63.269, 67.098, 11.559), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 4129, " C  " at (62.319, 67.858, 12.483), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 4130, " O  " at (62.377, 69.104, 12.594), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 4131, " CB " at (62.547, 66.683, 10.274), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 4132, " N  " at (61.447, 67.120, 13.169), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 4133, " HN " at (61.417, 66.110, 13.033), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 4134, " CA " at (60.526, 67.760, 14.123), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 4135, " C  " at (61.253, 68.397, 15.307), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 4136, " O  " at (60.987, 69.580, 15.681), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 4137, " CB " at (59.526, 66.747, 14.671), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 4138, " CG " at (58.634, 66.158, 13.599), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 4139, " OD1" at (58.331, 66.861, 12.608), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 4140, " OD2" at (58.194, 64.975, 13.686), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 4141, " N  " at (62.153, 67.633, 15.930), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 4142, " HN " at (62.267, 66.659, 15.649), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 4143, " CA " at (62.978, 68.173, 17.009), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 4144, " C  " at (63.668, 69.486, 16.598), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 4145, " O  " at (63.531, 70.487, 17.285), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 4146, " CB " at (64.000, 67.144, 17.505), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 4147, " CG1" at (63.303, 65.916, 18.085), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 4148, " CG2" at (64.924, 67.754, 18.613), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 4149, " CD1" at (64.237, 64.724, 18.224), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 4150, " N  " at (64.378, 69.469, 15.471), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 4151, " HN " at (64.432, 68.603, 14.934), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 4152, " CA " at (65.078, 70.646, 14.982), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 4153, " C  " at (64.161, 71.804, 14.556), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 4154, " O  " at (64.465, 72.982, 14.801), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 4155, " CB " at (66.079, 70.280, 13.864), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 4156, " CG " at (67.259, 69.453, 14.413), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 4157, " CD1" at (67.836, 68.535, 13.364), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 4158, " CD2" at (68.278, 70.440, 14.954), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 4159, " N  " at (63.031, 71.480, 13.955), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 4160, " HN " at (62.851, 70.506, 13.711), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 4161, " CA " at (62.036, 72.501, 13.635), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 4162, " C  " at (61.548, 73.178, 14.922), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 4163, " O  " at (61.543, 74.432, 15.043), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 4164, " CB " at (60.863, 71.872, 12.898), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 4165, " CG " at (59.712, 72.818, 12.578), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 4166, " CD1" at (59.836, 73.803, 11.576), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 4167, " CD2" at (58.512, 72.730, 13.263), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 4168, " CE1" at (58.790, 74.653, 11.263), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 4169, " CE2" at (57.445, 73.579, 12.959), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 4170, " CZ " at (57.586, 74.538, 11.963), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 4171, " OH " at (56.518, 75.371, 11.682), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 4172, " HH " at (56.614, 76.027, 11.001), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 4173, " N  " at (61.127, 72.349, 15.879), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 4174, " HN " at (61.129, 71.341, 15.723), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 4175, " CA " at (60.666, 72.892, 17.145), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 4176, " C  " at (61.712, 73.746, 17.851), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 4177, " O  " at (61.374, 74.776, 18.382), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 4178, " CB " at (60.085, 71.830, 18.079), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 4179, " CG " at (58.821, 71.204, 17.517), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 4180, " ND2" at (58.420, 70.055, 18.067), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 4181, "1HD2" at (58.918, 69.616, 18.842), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 4182, "2HD2" at (57.571, 69.634, 17.689), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 4183, " OD1" at (58.222, 71.732, 16.584), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 4184, " N  " at (62.961, 73.311, 17.851), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 4185, " HN " at (63.184, 72.403, 17.444), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 4186, " CA " at (64.024, 74.132, 18.435), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 4187, " C  " at (64.169, 75.443, 17.658), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 4188, " O  " at (64.263, 76.505, 18.272), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 4189, " CB " at (65.387, 73.368, 18.508), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 4190, " CG1" at (65.349, 72.375, 19.673), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 4191, " CG2" at (66.568, 74.344, 18.716), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 4192, " CD1" at (66.391, 71.241, 19.599), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 4193, " N  " at (64.211, 75.362, 16.330), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 4194, " HN " at (64.125, 74.451, 15.880), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 4195, " CA " at (64.379, 76.564, 15.502), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 4196, " C  " at (63.217, 77.577, 15.678), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 4197, " O  " at (63.441, 78.798, 15.678), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 4198, " CB " at (64.539, 76.210, 14.023), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 4199, " CG " at (64.848, 77.397, 13.020), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 4200, " CD " at (65.707, 76.906, 11.802), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 4201, " NE " at (65.939, 77.869, 10.714), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 4202, " HE " at (65.721, 78.849, 10.897), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 4203, " CZ " at (66.420, 77.553, 9.489), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 4204, " NH1" at (66.747, 76.289, 9.165), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 4205, "1HH1" at (66.628, 75.552, 9.860), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 4206, "2HH1" at (67.109, 76.051, 8.242), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 4207, " NH2" at (66.576, 78.519, 8.579), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 4208, "1HH2" at (66.328, 79.477, 8.825), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 4209, "2HH2" at (66.938, 78.281, 7.656), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 4210, " N  " at (61.999, 77.069, 15.841), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 4211, " HN " at (61.886, 76.062, 15.957), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 4212, " CA " at (60.822, 77.929, 15.857), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 4213, " C  " at (60.658, 78.638, 17.178), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 4214, " O  " at (60.141, 79.728, 17.217), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 4215, " CB " at (59.547, 77.168, 15.534), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 4216, " CG " at (59.415, 76.808, 14.083), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 4217, " CD " at (59.529, 78.034, 13.170), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 4218, " NE2" at (60.481, 78.008, 12.254), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 4219, "1HE2" at (61.130, 77.228, 12.153), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 4220, "2HE2" at (60.557, 78.824, 11.646), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 4221, " OE1" at (58.750, 78.970, 13.291), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 4222, " N  " at (61.060, 77.994, 18.261), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 4223, " HN " at (61.529, 77.094, 18.165), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 4224, " CA " at (60.842, 78.552, 19.588), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 4225, " C  " at (62.185, 78.950, 20.178), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 4226, " O  " at (62.276, 79.233, 21.411), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 4227, " CB " at (60.168, 77.519, 20.506), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 4228, " CG2" at (58.769, 77.145, 19.992), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 4229, " OG1" at (60.926, 76.295, 20.486), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 4230, " HG1" at (61.791, 76.526, 20.804), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 4231, " N  " at (63.227, 78.938, 19.318), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 4232, " HN " at (63.090, 78.597, 18.366), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 4233, " CA " at (64.565, 79.412, 19.737), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 4234, " C  " at (64.468, 80.813, 20.265), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 4235, " O  " at (63.776, 81.674, 19.663), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 4236, " CB " at (65.671, 79.338, 18.644), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 4237, " OG " at (65.463, 80.174, 17.513), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 4238, " HG " at (66.138, 80.129, 16.846), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 4239, " N  " at (65.109, 81.018, 21.417), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 4240, " HN " at (65.472, 80.216, 21.933), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 4241, " CA " at (65.304, 82.360, 21.959), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 4242, " C  " at (66.815, 82.507, 22.229), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 4243, " O  " at (67.230, 82.484, 23.384), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 4244, " CB " at (64.478, 82.541, 23.243), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 4245, " CG " at (62.945, 82.596, 23.038), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 4246, " CD " at (62.429, 83.716, 22.091), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 4247, " NE " at (62.871, 85.037, 22.523), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 4248, " HE " at (63.753, 85.380, 22.142), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 4249, " CZ " at (62.216, 85.845, 23.383), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 4250, " NH1" at (61.046, 85.488, 23.907), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 4251, "1HH1" at (60.551, 86.099, 24.557), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 4252, "2HH1" at (60.634, 84.588, 23.661), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 4253, " NH2" at (62.750, 87.010, 23.702), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 4254, "1HH2" at (62.255, 87.621, 24.352), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 4255, "2HH2" at (63.647, 87.284, 23.300), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 4256, " N  " at (67.632, 82.620, 21.168), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 4257, " CA " at (69.106, 82.606, 21.318), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 4258, " C  " at (69.673, 83.752, 22.189), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 4259, " O  " at (70.747, 83.604, 22.796), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 4260, " CB " at (69.630, 82.698, 19.881), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 4261, " CG " at (68.485, 82.987, 18.998), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 4262, " CD " at (67.214, 82.778, 19.760), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 4263, " N  " at (68.972, 84.877, 22.212), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 4264, " HN " at (68.133, 84.938, 21.635), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 4265, " CA " at (69.346, 86.044, 23.032), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 4266, " C  " at (68.949, 85.928, 24.507), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 4267, " O  " at (69.339, 86.758, 25.279), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 4268, " CB " at (68.741, 87.329, 22.442), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 4269, " CG " at (69.173, 87.579, 20.983), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 4270, " OD1" at (70.350, 87.342, 20.620), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 4271, " OD2" at (68.387, 88.018, 20.107), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 4272, " N  " at (68.235, 84.864, 24.912), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 4273, " HN " at (68.048, 84.112, 24.248), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 4274, " CA " at (67.717, 84.751, 26.280), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 4275, " C  " at (68.471, 83.706, 27.119), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 4276, " O  " at (68.467, 82.493, 26.793), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 4277, " CB " at (66.184, 84.429, 26.298), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 4278, " CG1" at (65.678, 84.406, 27.738), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 4279, " CG2" at (65.405, 85.494, 25.491), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 4280, " N  " at (69.137, 84.180, 28.169), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 4281, " HN " at (69.134, 85.184, 28.351), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 4282, " CA " at (69.865, 83.301, 29.057), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 4283, " C  " at (68.891, 82.351, 29.757), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 4284, " O  " at (67.906, 82.796, 30.326), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 4285, " CB " at (70.760, 84.096, 30.043), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 4286, " CG1" at (71.577, 83.145, 30.931), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 4287, " CG2" at (69.954, 85.124, 30.842), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 4288, " CD1" at (72.659, 83.847, 31.814), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 4289, " N  " at (69.127, 81.044, 29.678), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 4290, " CA " at (68.153, 80.057, 30.173), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 4291, " C  " at (68.185, 79.895, 31.695), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 4292, " O  " at (68.367, 78.799, 32.217), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 4293, " CB " at (68.605, 78.771, 29.474), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 4294, " CG " at (70.083, 78.913, 29.352), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 4295, " CD " at (70.310, 80.385, 29.089), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 4296, " N  " at (68.038, 81.015, 32.382), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 4297, " HN " at (67.963, 81.885, 31.855), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 4298, " CA " at (67.975, 81.101, 33.825), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 4299, " C  " at (66.708, 80.351, 34.328), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 4300, " O  " at (65.625, 80.505, 33.757), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 4301, " CB " at (68.007, 82.618, 34.183), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 4302, " CG2" at (67.092, 82.951, 35.304), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 4303, " OG1" at (69.310, 82.947, 34.691), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 4304, " HG1" at (69.329, 83.871, 34.909), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 4305, " N  " at (66.861, 79.501, 35.348), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 4306, " HN " at (67.789, 79.388, 35.757), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 4307, " CA " at (65.745, 78.723, 35.903), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 4308, " C  " at (65.764, 78.780, 37.444), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 4309, " O  " at (66.783, 78.484, 38.075), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 4310, " CB " at (65.759, 77.272, 35.370), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 4311, " CG " at (64.702, 76.328, 35.991), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 4312, " CD " at (63.998, 75.383, 34.983), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 4313, " NE2" at (63.176, 74.438, 35.490), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 4314, "1HE2" at (63.012, 74.333, 36.491), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 4315, "2HE2" at (62.713, 73.816, 34.827), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 4316, " OE1" at (64.195, 75.509, 33.784), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 4317, " N  " at (64.623, 79.183, 38.015), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 4318, " HN " at (63.833, 79.358, 37.394), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 4319, " CA " at (64.398, 79.399, 39.465), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 4320, " C  " at (65.350, 80.426, 40.091), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 4321, " O  " at (65.755, 80.274, 41.254), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 4322, " CB " at (64.390, 78.089, 40.315), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 4323, " CG " at (64.000, 76.784, 39.617), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 4324, " CD " at (63.085, 75.859, 40.469), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 4325, " NE " at (61.653, 76.186, 40.356), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 4326, " HE " at (61.168, 76.455, 41.212), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 4327, " CZ " at (60.932, 76.161, 39.226), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 4328, " NH1" at (61.479, 75.810, 38.052), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 4329, "1HH1" at (62.464, 75.548, 38.010), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 4330, "2HH1" at (60.930, 75.791, 37.192), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 4331, " NH2" at (59.652, 76.502, 39.280), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 4332, "1HH2" at (59.236, 76.769, 40.172), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 4333, "2HH2" at (59.103, 76.483, 38.420), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 4334, " N  " at (65.675, 81.468, 39.317), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 4335, " HN " at (65.308, 81.488, 38.366), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 4336, " CA " at (66.525, 82.583, 39.748), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 4337, " C  " at (67.948, 82.137, 40.147), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 4338, " O  " at (68.665, 82.865, 40.832), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 4339, " CB " at (65.833, 83.446, 40.844), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 4340, " CG " at (66.261, 84.941, 40.801), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 4341, " OD1" at (66.628, 85.431, 39.695), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 4342, " OD2" at (66.275, 85.700, 41.823), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 4343, " N  " at (68.339, 80.944, 39.699), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 4344, " HN " at (67.668, 80.379, 39.178), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 4345, " CA " at (69.677, 80.405, 39.916), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 4346, " C  " at (70.517, 80.702, 38.680), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 4347, " O  " at (69.982, 80.711, 37.573), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 4348, " CB " at (69.626, 78.890, 40.154), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 4349, " CG " at (68.900, 78.453, 41.453), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 4350, " CD " at (67.749, 77.442, 41.207), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 4351, " NE " at (67.519, 76.452, 42.281), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 4352, " HE " at (67.006, 76.760, 43.107), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 4353, " CZ " at (67.937, 75.176, 42.248), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 4354, " NH1" at (68.636, 74.719, 41.208), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 4355, "1HH1" at (68.845, 75.346, 40.431), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 4356, "2HH1" at (68.953, 73.750, 41.183), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 4357, " NH2" at (67.665, 74.358, 43.261), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 4358, "1HH2" at (67.130, 74.707, 44.056), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 4359, "2HH2" at (67.982, 73.389, 43.236), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 4360, " N  " at (71.816, 80.959, 38.862), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 4361, " CA " at (72.716, 81.197, 37.737), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 4362, " C  " at (72.740, 79.975, 36.797), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 4363, " O  " at (72.525, 78.858, 37.260), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 4364, " CB " at (74.082, 81.405, 38.411), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 4365, " CG " at (73.937, 80.873, 39.788), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 4366, " CD " at (72.512, 81.030, 40.163), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 4367, " N  " at (72.955, 80.200, 35.496), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 4368, " HN " at (72.915, 81.155, 35.139), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 4369, " CA " at (73.248, 79.097, 34.573), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 4370, " C  " at (74.648, 78.583, 34.880), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 4371, " O  " at (75.631, 79.340, 34.827), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 4372, " CB " at (73.135, 79.524, 33.084), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 4373, " CG1" at (73.548, 78.390, 32.142), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 4374, " CG2" at (71.726, 79.940, 32.774), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 4375, " N  " at (74.720, 77.300, 35.240), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 4376, " HN " at (73.860, 76.755, 35.301), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 4377, " CA " at (75.985, 76.655, 35.548), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 4378, " C  " at (76.683, 76.228, 34.250), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 4379, " O  " at (76.248, 75.318, 33.569), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 4380, " CB " at (75.772, 75.461, 36.502), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 4381, " N  " at (77.776, 76.900, 33.920), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 4382, " HN " at (78.098, 77.652, 34.530), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 4383, " CA " at (78.523, 76.601, 32.727), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 4384, " C  " at (79.843, 75.902, 33.105), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 4385, " O  " at (80.561, 76.350, 33.972), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 4386, " CB " at (78.805, 77.903, 31.903), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 4387, " CG1" at (79.603, 77.599, 30.665), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 4388, " CG2" at (77.500, 78.610, 31.535), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 4389, " N  " at (80.135, 74.773, 32.469), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 4390, " HN " at (79.440, 74.371, 31.839), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 4391, " CA " at (81.409, 74.087, 32.636), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 4392, " C  " at (82.240, 74.377, 31.430), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 4393, " O  " at (81.745, 74.304, 30.304), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 4394, " CB " at (81.218, 72.589, 32.722), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 4395, " OG " at (80.501, 72.256, 33.888), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 4396, " HG " at (80.381, 71.315, 33.942), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 4397, " N  " at (83.505, 74.703, 31.666), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 4398, " HN " at (83.821, 74.794, 32.632), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 4399, " CA " at (84.455, 74.934, 30.586), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 4400, " C  " at (85.712, 74.143, 30.892), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 4401, " O  " at (86.110, 73.985, 32.041), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 4402, " CB " at (84.914, 76.399, 30.471), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 4403, " CG1" at (85.418, 76.689, 29.041), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 4404, " CG2" at (83.821, 77.352, 30.856), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 4405, " N  " at (86.384, 73.742, 29.833), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 4406, " HN " at (86.038, 73.990, 28.906), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 4407, " CA " at (87.594, 72.964, 29.941), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 4408, " C  " at (88.256, 73.127, 28.591), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 4409, " O  " at (87.573, 73.032, 27.563), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 4410, " CB " at (87.209, 71.514, 30.200), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 4411, " OG " at (88.313, 70.668, 30.029), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 4412, " HG " at (88.073, 69.763, 30.191), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 4413, " N  " at (89.555, 73.422, 28.592), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 4414, " HN " at (90.040, 73.541, 29.481), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 4415, " CA " at (90.304, 73.579, 27.334), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 4416, " C  " at (91.122, 72.336, 27.081), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 4417, " O  " at (91.828, 71.872, 27.970), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 4418, " CB " at (91.225, 74.808, 27.394), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 4419, " CG " at (90.627, 76.171, 27.751), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 4420, " CD1" at (91.613, 77.329, 27.491), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 4421, " CD2" at (89.298, 76.463, 27.122), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 4422, " N  " at (90.990, 71.759, 25.891), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 4423, " HN " at (90.320, 72.132, 25.219), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 4424, " CA " at (91.799, 70.593, 25.538), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 4425, " C  " at (92.820, 71.084, 24.529), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 4426, " O  " at (92.488, 71.389, 23.390), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 4427, " CB " at (90.959, 69.459, 24.933), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 4428, " CG " at (89.655, 69.154, 25.672), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 4429, " CD " at (89.890, 68.261, 26.878), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 4430, " CE " at (88.655, 68.262, 27.772), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 4431, " NZ " at (88.889, 67.569, 29.110), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 4432, " HZ1" at (88.063, 67.570, 29.708), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 4433, " HZ2" at (89.690, 67.974, 29.595), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 4434, " HZ3" at (89.239, 66.621, 28.973), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 4435, " N  " at (94.066, 71.179, 24.959), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 4436, " HN " at (94.287, 70.876, 25.908), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 4437, " CA " at (95.125, 71.700, 24.124), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 4438, " C  " at (95.515, 70.720, 23.040), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 4439, " O  " at (95.669, 69.536, 23.315), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 4440, " CB " at (96.290, 72.128, 24.996), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 4441, " CG " at (95.943, 73.297, 25.865), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 4442, " CD1" at (95.919, 74.571, 25.333), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 4443, " CD2" at (95.572, 73.106, 27.199), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 4444, " CE1" at (95.572, 75.678, 26.118), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 4445, " CE2" at (95.209, 74.209, 28.002), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 4446, " CZ " at (95.213, 75.499, 27.456), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 4447, " N  " at (95.559, 71.224, 21.796), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 4448, " HN " at (95.381, 72.220, 21.668), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 4449, " CA " at (95.849, 70.412, 20.621), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 4450, " C  " at (97.220, 70.779, 20.076), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 4451, " O  " at (97.993, 69.914, 19.622), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 4452, " CB " at (94.763, 70.560, 19.550), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 4453, " CG1" at (93.349, 70.424, 20.134), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 4454, " CG2" at (94.982, 69.626, 18.376), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 4455, " CD1" at (93.035, 69.164, 20.871), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 4456, " N  " at (97.543, 72.061, 20.147), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 4457, " HN " at (96.911, 72.719, 20.604), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 4458, " CA " at (98.788, 72.534, 19.580), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 4459, " C  " at (99.195, 73.872, 20.110), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 4460, " O  " at (98.355, 74.717, 20.423), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 4461, " CB " at (98.734, 72.581, 18.050), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 4462, " CG " at (99.953, 71.933, 17.411), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 4463, " ND2" at (99.685, 71.095, 16.425), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 4464, "1HD2" at (100.502, 70.661, 15.997), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 4465, "2HD2" at (98.738, 70.895, 16.104), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 4466, " OD1" at (101.138, 72.183, 17.812), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 4467, " N  " at (100.506, 74.036, 20.241), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 4468, " HN " at (101.114, 73.222, 20.147), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 4469, " CA " at (101.108, 75.327, 20.513), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 4470, " C  " at (101.937, 75.648, 19.274), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 4471, " O  " at (102.914, 74.974, 18.984), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 4472, " CB " at (101.956, 75.248, 21.794), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 4473, " CG1" at (101.069, 74.915, 22.987), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 4474, " CG2" at (102.631, 76.581, 22.044), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 4475, " CD1" at (101.741, 74.156, 24.086), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 4476, " N  " at (101.524, 76.666, 18.534), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 4477, " HN " at (100.797, 77.284, 18.893), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 4478, " CA " at (102.091, 76.917, 17.217), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 4479, " C  " at (103.239, 77.913, 17.222), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 4480, " O  " at (104.119, 77.858, 16.365), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 4481, " CB " at (100.988, 77.438, 16.304), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 4482, " CG " at (99.784, 76.485, 16.253), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 4483, " CD1" at (98.635, 77.117, 15.598), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 4484, " CD2" at (100.185, 75.168, 15.549), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 4485, " N  " at (103.195, 78.867, 18.141), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 4486, " HN " at (102.435, 78.878, 18.822), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 4487, " CA " at (104.221, 79.901, 18.189), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 4488, " C  " at (104.279, 80.427, 19.609), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 4489, " O  " at (103.253, 80.554, 20.271), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 4490, " CB " at (103.918, 81.025, 17.198), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 4491, " CG " at (104.997, 82.094, 17.138), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 4492, " CD " at (104.672, 83.214, 16.168), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 4493, " OE1" at (103.487, 83.628, 16.074), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 4494, " OE2" at (105.612, 83.669, 15.494), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 4495, " N  " at (105.492, 80.734, 20.043), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 4496, " HN " at (106.271, 80.641, 19.391), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 4497, " CA " at (105.782, 81.192, 21.380), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 4498, " C  " at (106.852, 82.265, 21.222), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 4499, " O  " at (107.772, 82.128, 20.425), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 4500, " CB " at (106.246, 79.983, 22.259), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 4501, " CG1" at (107.264, 80.354, 23.289), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 4502, " CG2" at (105.047, 79.275, 22.914), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 4503, " N  " at (106.721, 83.351, 21.969), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 4504, " HN " at (105.924, 83.429, 22.601), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 4505, " CA " at (107.690, 84.437, 21.908), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 4506, " C  " at (108.036, 84.843, 23.314), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 4507, " O  " at (107.218, 85.420, 24.029), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 4508, " CB " at (107.138, 85.622, 21.112), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 4509, " CG " at (108.226, 86.671, 20.748), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 4510, " ND2" at (108.142, 87.182, 19.527), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 4511, "1HD2" at (108.856, 87.870, 19.288), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 4512, "2HD2" at (107.414, 86.905, 18.869), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 4513, " OD1" at (109.114, 87.009, 21.550), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 4514, " N  " at (109.253, 84.520, 23.727), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 4515, " HN " at (109.909, 84.098, 23.070), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 4516, " CA " at (109.668, 84.755, 25.093), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 4517, " C  " at (109.985, 86.239, 25.334), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 4518, " O  " at (109.930, 86.706, 26.480), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 4519, " CB " at (110.851, 83.851, 25.463), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 4520, " CG " at (110.865, 83.422, 26.930), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 4521, " CD " at (112.077, 82.584, 27.323), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 4522, " OE1" at (112.592, 81.797, 26.473), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 4523, " OE2" at (112.511, 82.704, 28.498), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 4524, " N  " at (110.299, 86.973, 24.261), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 4525, " HN " at (110.378, 86.518, 23.351), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 4526, " CA " at (110.532, 88.414, 24.363), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 4527, " C  " at (109.202, 89.149, 24.590), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 4528, " O  " at (109.095, 89.953, 25.517), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 4529, " CB " at (111.274, 88.971, 23.101), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 4530, " CG1" at (112.572, 88.189, 22.804), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 4531, " CG2" at (111.542, 90.509, 23.220), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 4532, " CD1" at (113.577, 88.173, 23.932), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 4533, " N  " at (108.189, 88.843, 23.772), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 4534, " HN " at (108.299, 88.093, 23.090), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 4535, " CA " at (106.925, 89.575, 23.847), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 4536, " C  " at (105.938, 88.964, 24.835), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 4537, " O  " at (104.961, 89.610, 25.181), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 4538, " CB " at (106.257, 89.753, 22.468), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 4539, " CG2" at (107.220, 90.347, 21.441), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 4540, " OG1" at (105.971, 88.481, 21.927), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 4541, " HG1" at (105.372, 88.112, 22.565), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 4542, " N  " at (106.229, 87.756, 25.320), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 4543, " HN " at (107.117, 87.322, 25.067), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 4544, " CA " at (105.313, 87.035, 26.203), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 4545, " C  " at (103.967, 86.780, 25.527), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 4546, " O  " at (102.920, 87.092, 26.065), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 4547, " CB " at (105.117, 87.749, 27.552), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 4548, " CG " at (106.106, 87.290, 28.614), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 4549, " ND2" at (106.475, 88.216, 29.492), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 4550, "1HD2" at (107.138, 87.908, 30.204), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 4551, "2HD2" at (106.131, 89.176, 29.459), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 4552, " OD1" at (106.529, 86.111, 28.654), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 4553, " N  " at (104.024, 86.218, 24.327), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 4554, " HN " at (104.939, 86.003, 23.930), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 4555, " CA " at (102.835, 85.896, 23.555), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 4556, " C  " at (102.913, 84.444, 23.108), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 4557, " O  " at (103.990, 83.916, 22.889), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 4558, " CB " at (102.715, 86.840, 22.358), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 4559, " CG " at (102.437, 88.303, 22.765), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 4560, " CD " at (102.518, 89.294, 21.610), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 4561, " OE1" at (102.366, 88.876, 20.433), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 4562, " OE2" at (102.723, 90.504, 21.887), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 4563, " N  " at (101.759, 83.809, 23.002), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 4564, " HN " at (100.904, 84.302, 23.259), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 4565, " CA " at (101.658, 82.434, 22.534), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 4566, " C  " at (100.454, 82.280, 21.617), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 4567, " O  " at (99.402, 82.871, 21.832), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 4568, " CB " at (101.569, 81.394, 23.718), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 4569, " CG1" at (102.743, 81.486, 24.633), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 4570, " CG2" at (100.299, 81.540, 24.513), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 4571, " N  " at (100.619, 81.455, 20.596), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 4572, " HN " at (101.527, 81.002, 20.493), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 4573, " CA " at (99.586, 81.148, 19.603), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 4574, " C  " at (99.209, 79.659, 19.829), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 4575, " O  " at (100.082, 78.799, 19.794), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 4576, " CB " at (100.203, 81.346, 18.208), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 4577, " CG " at (99.170, 81.440, 17.097), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 4578, " OD1" at (97.986, 81.077, 17.315), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 4579, " OD2" at (99.470, 81.885, 15.945), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 4580, " N  " at (97.933, 79.385, 20.128), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 4581, " HN " at (97.235, 80.120, 20.015), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 4582, " CA " at (97.497, 78.064, 20.614), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 4583, " C  " at (96.218, 77.604, 19.929), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 4584, " O  " at (95.384, 78.414, 19.591), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 4585, " CB " at (97.248, 78.056, 22.159), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 4586, " CG1" at (96.771, 76.657, 22.637), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 4587, " CG2" at (98.485, 78.424, 22.900), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 4588, " N  " at (96.067, 76.283, 19.778), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 4589, " HN " at (96.852, 75.683, 20.032), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 4590, " CA " at (94.843, 75.633, 19.269), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 4591, " C  " at (94.330, 74.685, 20.363), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 4592, " O  " at (95.093, 73.827, 20.862), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 4593, " CB " at (95.098, 74.789, 18.002), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 4594, " CG1" at (93.804, 74.150, 17.506), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 4595, " CG2" at (95.708, 75.599, 16.907), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 4596, " N  " at (93.046, 74.849, 20.716), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 4597, " HN " at (92.484, 75.521, 20.194), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 4598, " CA " at (92.419, 74.127, 21.793), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 4599, " C  " at (90.948, 73.895, 21.453), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 4600, " O  " at (90.325, 74.712, 20.741), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 4601, " CB " at (92.547, 74.880, 23.156), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 4602, " CG " at (92.041, 76.318, 23.113), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 4603, " CD1" at (92.894, 77.372, 22.763), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 4604, " CD2" at (90.716, 76.592, 23.381), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 4605, " CE1" at (92.401, 78.731, 22.713), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 4606, " CE2" at (90.201, 77.904, 23.339), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 4607, " CZ " at (91.033, 78.975, 23.001), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 4608, " N  " at (90.409, 72.779, 21.974), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 4609, " HN " at (91.030, 72.099, 22.413), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 4610, " CA " at (88.988, 72.497, 21.942), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 4611, " C  " at (88.406, 73.062, 23.197), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 4612, " O  " at (88.789, 72.655, 24.296), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 4613, " CB " at (88.715, 70.970, 21.896), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 4614, " CG " at (89.293, 70.299, 20.684), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 4615, " CD1" at (89.779, 70.900, 19.542), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 4616, " CD2" at (89.457, 68.895, 20.500), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 4617, " CE2" at (90.041, 68.699, 19.225), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 4618, " CE3" at (89.156, 67.771, 21.286), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 4619, " NE1" at (90.237, 69.943, 18.662), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 4620, " HE1" at (90.651, 70.124, 17.748), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 4621, " CZ2" at (90.346, 67.420, 18.720), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 4622, " CZ3" at (89.455, 66.481, 20.770), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 4623, " CH2" at (90.053, 66.333, 19.498), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 4624, " N  " at (87.502, 74.016, 23.054), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 4625, " HN " at (87.208, 74.291, 22.117), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 4626, " CA " at (86.915, 74.684, 24.216), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 4627, " C  " at (85.631, 73.959, 24.592), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 4628, " O  " at (84.539, 74.337, 24.120), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 4629, " CB " at (86.645, 76.171, 23.900), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 4630, " CG " at (86.067, 76.984, 25.103), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 4631, " CD " at (86.129, 78.518, 24.864), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 4632, " NE2" at (84.981, 79.144, 24.801), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 4633, "1HE2" at (85.022, 80.151, 24.644), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 4634, "2HE2" at (84.093, 78.660, 24.935), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 4635, " OE1" at (87.205, 79.104, 24.702), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 4636, " N  " at (85.769, 72.896, 25.403), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 4637, " HN " at (86.699, 72.662, 25.751), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 4638, " CA " at (84.651, 72.073, 25.800), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 4639, " C  " at (83.753, 72.857, 26.736), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 4640, " O  " at (84.137, 73.107, 27.877), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 4641, " CB " at (85.119, 70.788, 26.498), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 4642, " CG " at (83.960, 69.907, 26.928), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 4643, " CD " at (84.372, 68.578, 27.606), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 4644, " NE2" at (83.442, 68.002, 28.331), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 4645, "1HE2" at (82.514, 68.406, 28.456), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 4646, "2HE2" at (83.714, 67.126, 28.778), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 4647, " OE1" at (85.507, 68.084, 27.453), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 4648, " N  " at (82.536, 73.146, 26.278), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 4649, " HN " at (82.263, 72.770, 25.370), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 4650, " CA " at (81.580, 73.961, 26.993), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 4651, " C  " at (80.223, 73.319, 27.127), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 4652, " O  " at (79.613, 72.919, 26.136), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 4653, " CB " at (81.397, 75.274, 26.219), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 4654, " CG2" at (81.037, 76.362, 27.153), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 4655, " OG1" at (82.673, 75.660, 25.731), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 4656, " HG1" at (82.560, 76.473, 25.252), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 4657, " N  " at (79.706, 73.344, 28.344), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 4658, " HN " at (80.107, 73.984, 29.030), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 4659, " CA " at (78.611, 72.516, 28.743), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 4660, " C  " at (77.686, 73.337, 29.626), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 4661, " O  " at (78.173, 74.156, 30.445), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 4662, " CB " at (79.234, 71.322, 29.477), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 4663, " CG2" at (78.503, 70.976, 30.714), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 4664, " OG1" at (79.097, 70.138, 28.658), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 4665, " HG1" at (79.567, 70.360, 27.863), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 4666, " N  " at (76.365, 73.156, 29.439), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 4667, " HN " at (76.054, 72.503, 28.720), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 4668, " CA " at (75.351, 73.871, 30.239), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 4669, " C  " at (73.982, 73.271, 29.953), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 4670, " O  " at (73.782, 72.529, 29.006), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 4671, " CB " at (75.349, 75.414, 29.962), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 4672, " CG " at (74.804, 75.781, 28.607), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 4673, " CD1" at (73.524, 76.118, 28.302), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 4674, " CD2" at (75.529, 75.834, 27.367), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 4675, " CE2" at (74.612, 76.189, 26.353), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 4676, " CE3" at (76.873, 75.601, 27.004), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 4677, " NE1" at (73.394, 76.370, 26.953), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 4678, " HE1" at (72.533, 76.646, 26.480), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 4679, " CZ2" at (74.978, 76.302, 25.017), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 4680, " CZ3" at (77.222, 75.708, 25.677), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 4681, " CH2" at (76.276, 76.046, 24.699), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 4682, " N  " at (73.016, 73.682, 30.739), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 4683, " HN " at (73.219, 74.382, 31.453), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 4684, " CA " at (71.679, 73.171, 30.620), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 4685, " C  " at (70.672, 74.245, 30.207), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 4686, " O  " at (70.626, 75.334, 30.795), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 4687, " CB " at (71.278, 72.550, 31.947), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 4688, " OG " at (69.879, 72.623, 32.083), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 4689, " HG " at (69.628, 72.235, 32.913), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 4690, " N  " at (69.854, 73.918, 29.211), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 4691, " HN " at (69.977, 73.018, 28.748), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 4692, " CA " at (68.782, 74.808, 28.757), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 4693, " C  " at (67.490, 74.010, 28.636), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 4694, " O  " at (67.236, 73.336, 27.638), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 4695, " CB " at (69.137, 75.469, 27.418), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 4696, " CG " at (68.121, 76.541, 26.981), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 4697, " OD1" at (66.962, 76.579, 27.495), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 4698, " OD2" at (68.402, 77.390, 26.091), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 4699, " N  " at (66.683, 74.094, 29.673), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 4700, " HN " at (66.926, 74.727, 30.435), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 4701, " CA " at (65.465, 73.322, 29.772), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 4702, " C  " at (64.407, 73.675, 28.739), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 4703, " O  " at (63.596, 72.794, 28.390), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 4704, " CB " at (64.900, 73.428, 31.170), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 4705, " CG " at (65.924, 73.095, 32.224), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 4706, " CD " at (66.089, 71.625, 32.536), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 4707, " NE " at (67.318, 71.439, 33.312), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 4708, " HE " at (68.182, 71.290, 32.791), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 4709, " CZ " at (67.402, 71.448, 34.655), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 4710, " NH1" at (66.324, 71.608, 35.420), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 4711, "1HH1" at (65.417, 71.734, 34.972), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 4712, "2HH1" at (66.388, 71.615, 36.438), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 4713, " NH2" at (68.584, 71.284, 35.239), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 4714, "1HH2" at (69.410, 71.161, 34.653), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 4715, "2HH2" at (68.648, 71.291, 36.257), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 4716, " N  " at (64.442, 74.911, 28.209), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 4717, " HN " at (65.100, 75.596, 28.579), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 4718, " CA " at (63.540, 75.295, 27.095), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 4719, " C  " at (63.788, 74.461, 25.817), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 4720, " O  " at (62.963, 74.482, 24.911), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 4721, " CB " at (63.593, 76.800, 26.758), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 4722, " CG2" at (63.534, 77.690, 28.036), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 4723, " OG1" at (64.864, 77.125, 26.204), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 4724, " HG1" at (64.897, 78.051, 25.997), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 4725, " N  " at (64.908, 73.741, 25.741), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 4726, " HN " at (65.553, 73.748, 26.531), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 4727, " CA " at (65.247, 72.933, 24.551), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 4728, " C  " at (64.688, 71.508, 24.689), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 4729, " O  " at (64.586, 70.749, 23.732), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 4730, " CB " at (66.757, 72.888, 24.361), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 4731, " CG " at (67.522, 74.187, 24.110), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 4732, " CD1" at (69.042, 73.904, 23.917), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 4733, " CD2" at (66.989, 74.890, 22.866), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 4734, " N  " at (64.315, 71.162, 25.903), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 4735, " HN " at (64.280, 71.875, 26.632), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 4736, " CA " at (63.949, 69.786, 26.239), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 4737, " C  " at (62.765, 69.266, 25.443), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 4738, " O  " at (61.839, 69.999, 25.159), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 4739, " CB " at (63.656, 69.689, 27.693), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 4740, " N  " at (62.788, 67.983, 25.103), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 4741, " HN " at (63.626, 67.432, 25.286), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 4742, " CA " at (61.641, 67.350, 24.475), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 4743, " C  " at (61.534, 65.931, 25.050), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 4744, " O  " at (62.524, 65.381, 25.562), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 4745, " CB " at (61.795, 67.318, 22.950), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 4746, " CG " at (62.908, 66.400, 22.446), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 4747, " CD1" at (62.805, 65.042, 22.119), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 4748, " CD2" at (64.288, 66.749, 22.239), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 4749, " CE2" at (64.958, 65.576, 21.776), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 4750, " CE3" at (65.031, 67.924, 22.396), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 4751, " NE1" at (64.026, 64.567, 21.707), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 4752, " HE1" at (64.213, 63.613, 21.398), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 4753, " CZ2" at (66.345, 65.560, 21.450), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 4754, " CZ3" at (66.426, 67.896, 22.088), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 4755, " CH2" at (67.053, 66.710, 21.618), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 4756, " N  " at (60.329, 65.371, 24.982), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 4757, " HN " at (59.547, 65.937, 24.651), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 4758, " CA " at (60.079, 64.010, 25.353), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 4759, " C  " at (60.689, 63.056, 24.339), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 4760, " O  " at (60.245, 63.029, 23.186), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 4761, " CB " at (58.550, 63.796, 25.482), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 4762, " CG " at (58.191, 62.471, 26.136), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 4763, " ND2" at (57.008, 62.412, 26.769), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 4764, "1HD2" at (56.767, 61.523, 27.208), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 4765, "2HD2" at (56.387, 63.217, 26.848), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 4766, " OD1" at (58.943, 61.497, 26.040), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 4767, " N  " at (61.688, 62.275, 24.768), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 4768, " HN " at (61.997, 62.346, 25.738), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 4769, " CA " at (62.353, 61.312, 23.866), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 4770, " C  " at (62.153, 59.808, 24.151), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 4771, " O  " at (63.078, 59.031, 23.948), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 4772, " CB " at (63.858, 61.613, 23.747), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 4773, " OG " at (64.528, 61.547, 24.991), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 4774, " HG " at (65.457, 61.733, 24.918), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 4775, " N  " at (60.959, 59.394, 24.582), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 4776, " HN " at (60.204, 60.072, 24.686), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 4777, " CA " at (60.707, 57.988, 24.909), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 4778, " C  " at (60.601, 57.123, 23.640), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 4779, " O  " at (60.913, 55.908, 23.638), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 4780, " CB " at (59.425, 57.840, 25.743), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 4781, " OG " at (58.339, 58.502, 25.097), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 4782, " HG " at (57.546, 58.410, 25.613), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 4783, " N  " at (60.135, 57.785, 22.582), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 4784, " HN " at (59.826, 58.747, 22.722), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 4785, " CA " at (60.037, 57.232, 21.247), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 4786, " C  " at (60.524, 58.319, 20.279), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 4787, " O  " at (59.828, 58.701, 19.339), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 4788, " CB " at (58.588, 56.811, 20.963), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 4789, " CG " at (57.871, 56.321, 22.179), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 4790, " CD2" at (56.966, 56.925, 22.985), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 4791, " ND1" at (58.106, 55.075, 22.726), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 4792, " HD1" at (58.747, 54.376, 22.350), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 4793, " CE1" at (57.370, 54.931, 23.811), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 4794, " NE2" at (56.665, 56.035, 23.988), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 4795, " HE2" at (56.004, 56.200, 24.747), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 4796, " N  " at (61.714, 58.841, 20.550), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 4797, " HN " at (62.185, 58.584, 21.417), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 4798, " CA " at (62.359, 59.769, 19.641), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 4799, " C  " at (63.857, 59.696, 19.831), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 4800, " O  " at (64.318, 59.195, 20.849), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 4801, " CB " at (61.879, 61.212, 19.897), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 4802, " OG " at (60.489, 61.323, 19.743), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 4803, " HG " at (60.193, 62.212, 19.901), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 4804, " N  " at (64.619, 60.177, 18.851), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 4805, " CA " at (66.059, 60.398, 19.046), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 4806, " C  " at (66.252, 61.239, 20.310), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 4807, " O  " at (65.415, 62.130, 20.592), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 4808, " CB " at (66.460, 61.215, 17.818), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 4809, " CG " at (65.461, 60.833, 16.761), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 4810, " CD " at (64.176, 60.493, 17.482), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 4811, " N  " at (67.283, 60.943, 21.090), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 4812, " HN " at (67.931, 60.196, 20.839), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 4813, " CA " at (67.464, 61.705, 22.303), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 4814, " C  " at (68.569, 62.776, 22.248), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 4815, " O  " at (68.791, 63.441, 23.239), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 4816, " CB " at (67.617, 60.767, 23.491), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 4817, " CG " at (69.002, 60.233, 23.609), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 4818, " OD1" at (69.571, 59.877, 22.549), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 4819, " OD2" at (69.606, 60.179, 24.705), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 4820, " N  " at (69.198, 62.958, 21.076), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 4821, " HN " at (68.925, 62.358, 20.298), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 4822, " CA " at (70.226, 63.933, 20.832), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 4823, " C  " at (70.189, 64.450, 19.372), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 4824, " O  " at (69.940, 63.709, 18.435), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 4825, " CB " at (71.586, 63.321, 21.054), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 4826, " CG " at (72.080, 63.412, 22.472), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 4827, " CD " at (73.544, 63.015, 22.632), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 4828, " NE2" at (73.827, 62.063, 23.524), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 4829, "1HE2" at (73.110, 61.576, 24.062), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 4830, "2HE2" at (74.806, 61.798, 23.631), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 4831, " OE1" at (74.414, 63.606, 21.979), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 4832, " N  " at (70.444, 65.723, 19.180), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 4833, " HN " at (70.548, 66.342, 19.984), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 4834, " CA " at (70.581, 66.267, 17.824), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 4835, " C  " at (71.746, 67.238, 17.783), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 4836, " O  " at (72.121, 67.787, 18.845), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 4837, " CB " at (69.291, 67.034, 17.375), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 4838, " CG1" at (68.126, 66.063, 17.049), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 4839, " CG2" at (68.893, 68.076, 18.410), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 4840, " N  " at (72.258, 67.496, 16.577), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 4841, " HN " at (71.998, 66.901, 15.790), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 4842, " CA " at (73.183, 68.611, 16.354), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 4843, " C  " at (72.454, 69.847, 15.868), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 4844, " O  " at (71.646, 69.752, 14.934), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 4845, " CB " at (74.240, 68.249, 15.309), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 4846, " OG " at (74.990, 67.191, 15.795), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 4847, " HG " at (75.646, 66.966, 15.146), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 4848, " N  " at (72.763, 70.994, 16.470), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 4849, " HN " at (73.561, 71.011, 17.105), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 4850, " CA " at (72.014, 72.223, 16.262), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 4851, " C  " at (72.996, 73.395, 15.956), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 4852, " O  " at (73.956, 73.570, 16.669), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 4853, " CB " at (71.199, 72.592, 17.492), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 4854, " CG1" at (70.287, 73.899, 17.201), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 4855, " CG2" at (70.358, 71.447, 17.975), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 4856, " N  " at (72.760, 74.163, 14.882), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 4857, " CA " at (73.567, 75.367, 14.621), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 4858, " C  " at (73.543, 76.247, 15.870), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 4859, " O  " at (72.482, 76.386, 16.413), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 4860, " CB " at (72.816, 76.077, 13.471), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 4861, " CG " at (71.947, 75.022, 12.857), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 4862, " CD " at (71.734, 73.952, 13.853), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 4863, " N  " at (74.672, 76.752, 16.358), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 4864, " HN " at (75.561, 76.554, 15.898), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 4865, " CA " at (74.637, 77.604, 17.572), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 4866, " C  " at (73.843, 78.923, 17.354), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 4867, " O  " at (73.454, 79.580, 18.335), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 4868, " CB " at (76.051, 77.916, 18.071), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 4869, " CG1" at (76.829, 78.768, 17.050), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 4870, " CG2" at (76.761, 76.665, 18.496), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 4871, " CD1" at (78.043, 79.533, 17.667), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 4872, " N  " at (73.595, 79.309, 16.097), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 4873, " HN " at (74.009, 78.791, 15.322), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 4874, " CA " at (72.739, 80.462, 15.817), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 4875, " C  " at (71.287, 80.205, 16.243), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 4876, " O  " at (70.527, 81.137, 16.445), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 4877, " CB " at (72.813, 80.875, 14.325), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 4878, " OG " at (72.210, 79.902, 13.473), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 4879, " HG " at (72.255, 80.155, 12.558), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 4880, " N  " at (70.900, 78.934, 16.383), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 4881, " HN " at (71.527, 78.176, 16.112), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 4882, " CA " at (69.576, 78.631, 16.925), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 4883, " C  " at (69.530, 78.448, 18.430), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 4884, " O  " at (68.464, 78.168, 18.945), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 4885, " CB " at (68.999, 77.370, 16.284), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 4886, " OG " at (68.679, 77.629, 14.942), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 4887, " HG " at (68.320, 76.845, 14.543), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 4888, " N  " at (70.657, 78.594, 19.127), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 4889, " HN " at (71.503, 78.887, 18.638), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 4890, " CA " at (70.724, 78.348, 20.577), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 4891, " C  " at (71.252, 79.577, 21.316), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 4892, " O  " at (72.089, 80.289, 20.777), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 4893, " CB " at (71.760, 77.222, 20.870), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 4894, " CG " at (71.452, 75.859, 20.294), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 4895, " CD1" at (72.454, 74.830, 20.786), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 4896, " CD2" at (70.098, 75.546, 20.794), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 4897, " N  " at (70.856, 79.750, 22.574), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 4898, " HN " at (70.027, 79.270, 22.925), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 4899, " CA " at (71.624, 80.639, 23.450), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 4900, " C  " at (72.920, 79.894, 23.733), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 4901, " O  " at (72.912, 78.661, 23.957), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 4902, " CB " at (70.913, 80.931, 24.747), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 4903, " CG " at (71.746, 81.774, 25.717), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 4904, " CD1" at (71.811, 83.170, 25.779), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 4905, " CD2" at (72.607, 81.290, 26.760), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 4906, " CE2" at (73.140, 82.426, 27.427), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 4907, " CE3" at (72.944, 80.005, 27.233), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 4908, " NE1" at (72.658, 83.548, 26.792), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 4909, " HE1" at (72.893, 84.510, 27.036), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 4910, " CZ2" at (74.014, 82.318, 28.525), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 4911, " CZ3" at (73.812, 79.894, 28.339), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 4912, " CH2" at (74.338, 81.042, 28.960), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 4913, " N  " at (74.004, 80.644, 23.734), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 4914, " HN " at (73.892, 81.633, 23.512), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 4915, " CA " at (75.353, 80.168, 24.028), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 4916, " C  " at (75.998, 81.169, 25.016), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 4917, " O  " at (75.800, 82.367, 24.873), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 4918, " CB " at (76.155, 80.067, 22.695), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 4919, " CG1" at (77.656, 79.902, 22.921), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 4920, " CG2" at (75.649, 78.886, 21.866), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 4921, " N  " at (76.729, 80.694, 26.037), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 4922, " CA " at (77.362, 81.627, 26.994), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 4923, " C  " at (78.340, 82.593, 26.308), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 4924, " O  " at (79.086, 82.223, 25.393), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 4925, " CB " at (78.075, 80.718, 28.015), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 4926, " CG " at (77.856, 79.298, 27.539), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 4927, " CD " at (76.999, 79.278, 26.341), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 4928, " N  " at (78.319, 83.855, 26.759), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 4929, " HN " at (77.700, 84.098, 27.532), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 4930, " CA " at (79.168, 84.896, 26.165), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 4931, " C  " at (80.604, 84.848, 26.725), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 4932, " O  " at (81.107, 85.826, 27.304), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 4933, " CB " at (78.519, 86.279, 26.364), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 4934, " CG " at (78.407, 86.659, 27.821), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 4935, " OD1" at (78.272, 85.734, 28.667), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 4936, " OD2" at (78.514, 87.859, 28.232), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 4937, " N  " at (81.259, 83.688, 26.612), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 4938, " HN " at (80.833, 82.917, 26.097), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 4939, " CA " at (82.584, 83.511, 27.220), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 4940, " C  " at (83.633, 84.279, 26.447), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 4941, " O  " at (83.578, 84.372, 25.187), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 4942, " CB " at (82.973, 82.021, 27.310), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 4943, " CG " at (82.025, 81.185, 28.160), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 4944, " CD1" at (82.492, 79.717, 28.199), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 4945, " CD2" at (81.869, 81.770, 29.583), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 4946, " N  " at (84.584, 84.840, 27.185), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 4947, " HN " at (84.520, 84.812, 28.203), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 4948, " CA " at (85.725, 85.499, 26.544), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 4949, " C  " at (87.006, 85.158, 27.278), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 4950, " O  " at (86.968, 84.941, 28.470), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 4951, " CB " at (85.511, 87.016, 26.496), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 4952, " N  " at (88.132, 85.118, 26.578), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 4953, " HN " at (88.101, 85.197, 25.562), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 4954, " CA " at (89.425, 84.961, 27.260), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 4955, " C  " at (89.931, 86.343, 27.513), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 4956, " O  " at (90.165, 87.096, 26.556), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 4957, " CB " at (90.413, 84.182, 26.415), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 4958, " N  " at (90.108, 86.677, 28.791), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 4959, " HN " at (89.959, 85.971, 29.512), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 4960, " CA " at (90.514, 88.042, 29.197), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 4961, " C  " at (91.909, 88.446, 28.706), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 4962, " O  " at (92.157, 89.628, 28.505), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 4963, " CB " at (90.475, 88.234, 30.724), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 4964, " CG " at (89.115, 88.407, 31.301), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 4965, " CD1" at (88.103, 87.451, 31.101), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 4966, " CD2" at (88.826, 89.527, 32.078), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 4967, " CE1" at (86.820, 87.627, 31.643), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 4968, " CE2" at (87.558, 89.713, 32.631), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 4969, " CZ " at (86.555, 88.773, 32.417), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 4970, " OH " at (85.314, 88.967, 32.984), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 4971, " HH " at (85.135, 89.740, 33.506), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 4972, " N  " at (92.822, 87.480, 28.548), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 4973, " HN " at (92.582, 86.506, 28.731), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 4974, " CA " at (94.179, 87.846, 28.106), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 4975, " C  " at (94.434, 87.482, 26.627), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 4976, " O  " at (95.576, 87.411, 26.195), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 4977, " CB " at (95.249, 87.272, 29.029), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 4978, " CG " at (95.141, 85.764, 29.146), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 4979, " ND2" at (96.267, 85.083, 29.123), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 4980, "1HD2" at (97.184, 85.527, 29.078), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 4981, "2HD2" at (96.194, 84.069, 29.202), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 4982, " OD1" at (94.028, 85.225, 29.201), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 4983, " N  " at (93.350, 87.283, 25.871), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 4984, " HN " at (92.431, 87.278, 26.313), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 4985, " CA " at (93.446, 87.074, 24.438), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 4986, " C  " at (93.861, 88.374, 23.752), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 4987, " O  " at (93.408, 89.453, 24.137), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 4988, " CB " at (92.126, 86.577, 23.868), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 4989, " N  " at (94.721, 88.253, 22.745), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 4990, " HN " at (95.076, 87.328, 22.502), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 4991, " CA " at (95.168, 89.410, 21.980), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 4992, " C  " at (94.782, 89.265, 20.492), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 4993, " O  " at (95.169, 90.068, 19.646), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 4994, " CB " at (96.687, 89.639, 22.180), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 4995, " CG1" at (97.491, 88.361, 21.844), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 4996, " CG2" at (96.976, 90.124, 23.630), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 4997, " CD1" at (99.018, 88.605, 21.706), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 4998, " N  " at (94.025, 88.216, 20.182), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 4999, " HN " at (93.853, 87.498, 20.886), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 5000, " CA " at (93.437, 88.073, 18.857), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 5001, " C  " at (92.050, 87.547, 19.067), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 5002, " O  " at (91.732, 86.993, 20.148), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 5003, " CB " at (94.248, 87.098, 17.978), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 5004, " OG " at (94.121, 85.749, 18.441), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 5005, " HG " at (94.620, 85.149, 17.900), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 5006, " N  " at (91.211, 87.682, 18.057), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 5007, " HN " at (91.508, 88.132, 17.191), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 5008, " CA " at (89.856, 87.176, 18.203), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 5009, " C  " at (89.818, 85.663, 17.976), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 5010, " O  " at (90.572, 85.120, 17.145), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 5011, " CB " at (88.848, 87.986, 17.337), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 5012, " CG " at (88.767, 87.635, 15.868), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 5013, " CD " at (87.968, 88.730, 15.093), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 5014, " CE " at (88.368, 88.764, 13.603), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 5015, " NZ " at (88.173, 90.128, 12.900), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 5016, " HZ1" at (88.437, 90.150, 11.915), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 5017, " HZ2" at (88.665, 90.860, 13.412), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 5018, " HZ3" at (87.210, 90.446, 13.012), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 5019, " N  " at (88.979, 84.956, 18.720), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 5020, " CA " at (88.984, 83.493, 18.611), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 5021, " C  " at (88.727, 83.128, 17.136), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 5022, " O  " at (87.765, 83.647, 16.572), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 5023, " CB " at (87.822, 83.071, 19.504), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 5024, " CG " at (86.976, 84.410, 19.744), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 5025, " CD " at (87.963, 85.462, 19.673), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 5026, " N  " at (89.606, 82.330, 16.521), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 5027, " HN " at (90.476, 82.105, 17.003), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 5028, " CA " at (89.380, 81.763, 15.189), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 5029, " C  " at (88.789, 80.327, 15.399), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 5030, " O  " at (89.466, 79.446, 15.907), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 5031, " CB " at (90.710, 81.735, 14.439), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 5032, " CG " at (90.670, 81.386, 12.957), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 5033, " CD " at (92.078, 81.362, 12.320), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 5034, " OE1" at (92.973, 82.111, 12.825), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 5035, " OE2" at (92.296, 80.642, 11.297), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 5036, " N  " at (87.519, 80.154, 15.078), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 5037, " HN " at (86.998, 80.967, 14.750), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 5038, " CA " at (86.813, 78.890, 15.159), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 5039, " C  " at (87.112, 78.020, 13.931), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 5040, " O  " at (86.785, 78.378, 12.801), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 5041, " CB " at (85.285, 79.101, 15.327), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 5042, " CG1" at (84.584, 77.776, 15.566), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 5043, " CG2" at (84.965, 80.120, 16.536), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 5044, " N  " at (87.770, 76.896, 14.147), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 5045, " HN " at (87.966, 76.603, 15.104), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 5046, " CA " at (88.222, 76.066, 13.030), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 5047, " C  " at (87.220, 74.966, 12.604), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 5048, " O  " at (87.438, 74.304, 11.573), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 5049, " CB " at (89.568, 75.399, 13.385), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 5050, " CG " at (90.677, 76.297, 13.935), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 5051, " CD1" at (91.850, 75.437, 14.285), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 5052, " CD2" at (91.105, 77.357, 12.923), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 5053, " N  " at (86.162, 74.745, 13.395), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 5054, " HN " at (85.987, 75.380, 14.174), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 5055, " CA " at (85.250, 73.625, 13.178), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 5056, " C  " at (83.839, 74.093, 12.863), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 5057, " O  " at (83.540, 75.262, 13.049), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 5058, " CB " at (85.185, 72.824, 14.437), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 5059, " CG2" at (86.492, 71.954, 14.570), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 5060, " OG1" at (85.198, 73.742, 15.535), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 5061, " HG1" at (85.157, 73.233, 16.336), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 5062, " N  " at (82.984, 73.184, 12.352), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 5063, " CA " at (81.558, 73.494, 12.147), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 5064, " C  " at (80.900, 73.998, 13.422), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 5065, " O  " at (81.081, 73.402, 14.479), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 5066, " CB " at (80.965, 72.173, 11.687), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 5067, " CG " at (82.097, 71.495, 10.998), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 5068, " CD " at (83.337, 71.850, 11.821), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 5069, " N  " at (80.156, 75.095, 13.314), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 5070, " HN " at (79.982, 75.503, 12.396), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 5071, " CA " at (79.587, 75.718, 14.510), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 5072, " C  " at (78.268, 75.069, 14.930), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 5073, " O  " at (77.184, 75.658, 14.798), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 5074, " CB " at (79.504, 77.248, 14.336), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 5075, " CG " at (80.916, 77.889, 14.386), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 5076, " CD " at (80.947, 79.382, 14.053), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 5077, " NE2" at (81.824, 79.775, 13.121), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 5078, "1HE2" at (82.433, 79.118, 12.634), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 5079, "2HE2" at (81.845, 80.770, 12.899), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 5080, " OE1" at (80.212, 80.175, 14.641), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 5081, " N  " at (78.374, 73.834, 15.428), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 5082, " HN " at (79.303, 73.430, 15.548), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 5083, " CA " at (77.199, 73.037, 15.809), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 5084, " C  " at (77.340, 72.627, 17.239), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 5085, " O  " at (78.440, 72.318, 17.688), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 5086, " CB " at (77.037, 71.790, 14.916), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 5087, " CG " at (76.935, 71.986, 13.410), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 5088, " CD1" at (76.937, 70.631, 12.679), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 5089, " CD2" at (75.713, 72.768, 12.978), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 5090, " N  " at (76.228, 72.636, 17.952), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 5091, " HN " at (75.361, 72.980, 17.540), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 5092, " CA " at (76.241, 72.153, 19.329), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 5093, " C  " at (75.465, 70.855, 19.357), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 5094, " O  " at (74.590, 70.613, 18.528), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 5095, " CB " at (75.606, 73.157, 20.279), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 5096, " N  " at (75.738, 70.054, 20.344), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 5097, " HN " at (76.460, 70.310, 21.017), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 5098, " CA " at (75.021, 68.790, 20.499), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 5099, " C  " at (74.039, 69.047, 21.626), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 5100, " O  " at (74.445, 69.478, 22.665), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 5101, " CB " at (76.035, 67.708, 20.808), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 5102, " CG " at (75.537, 66.291, 20.632), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 5103, " CD " at (75.371, 65.874, 19.154), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 5104, " NE " at (74.832, 64.526, 19.177), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 5105, " HE " at (74.923, 64.010, 20.052), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 5106, " CZ " at (74.239, 63.905, 18.184), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 5107, " NH1" at (74.119, 64.464, 16.986), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 5108, "1HH1" at (73.658, 63.981, 16.214), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 5109, "2HH1" at (74.455, 65.412, 16.814), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 5110, " NH2" at (73.801, 62.669, 18.408), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 5111, "1HH2" at (73.340, 62.186, 17.636), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 5112, "2HH2" at (73.893, 62.239, 19.329), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 5113, " N  " at (72.748, 68.829, 21.394), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 5114, " HN " at (72.473, 68.501, 20.468), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 5115, " CA " at (71.701, 69.034, 22.395), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 5116, " C  " at (71.032, 67.686, 22.753), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 5117, " O  " at (70.617, 66.935, 21.857), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 5118, " CB " at (70.638, 69.994, 21.860), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 5119, " CG1" at (69.484, 70.173, 22.861), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 5120, " CG2" at (71.273, 71.399, 21.495), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 5121, " N  " at (70.935, 67.400, 24.055), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 5122, " HN " at (71.300, 68.075, 24.727), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 5123, " CA " at (70.322, 66.147, 24.576), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 5124, " C  " at (68.868, 66.484, 24.948), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 5125, " O  " at (68.529, 67.667, 25.220), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 5126, " CB " at (71.097, 65.606, 25.786), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 5127, " CG1" at (70.582, 64.185, 26.264), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 5128, " CG2" at (72.580, 65.527, 25.467), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 5129, " N  " at (67.999, 65.471, 24.945), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 5130, " HN " at (68.334, 64.517, 24.813), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 5131, " CA " at (66.564, 65.720, 25.130), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 5132, " C  " at (66.174, 66.303, 26.485), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 5133, " O  " at (65.073, 66.792, 26.638), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 5134, " CB " at (65.757, 64.459, 24.897), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 5135, " OG " at (66.069, 63.485, 25.871), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 5136, " HG " at (65.563, 62.694, 25.725), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 5137, " N  " at (67.054, 66.231, 27.473), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 5138, " HN " at (67.932, 65.731, 27.335), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 5139, " CA " at (66.774, 66.862, 28.754), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 5140, " C  " at (67.225, 68.319, 28.791), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 5141, " O  " at (67.088, 68.975, 29.816), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 5142, " CB " at (67.403, 66.081, 29.910), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 5143, " CG " at (68.928, 65.990, 29.821), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 5144, " OD1" at (69.560, 66.590, 28.906), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 5145, " OD2" at (69.590, 65.327, 30.638), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 5146, " N  " at (67.741, 68.833, 27.674), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 5147, " HN " at (67.797, 68.251, 26.838), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 5148, " CA " at (68.224, 70.199, 27.619), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 5149, " C  " at (69.709, 70.403, 27.852), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 5150, " O  " at (70.166, 71.550, 27.922), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 5151, " N  " at (70.481, 69.330, 27.990), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 5152, " HN " at (70.064, 68.399, 27.977), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 5153, " CA " at (71.931, 69.478, 28.161), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 5154, " C  " at (72.517, 69.795, 26.804), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 5155, " O  " at (72.178, 69.156, 25.804), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 5156, " CB " at (72.632, 68.246, 28.721), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 5157, " CG " at (72.352, 67.875, 30.189), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 5158, " CD " at (72.682, 69.003, 31.177), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 5159, " OE1" at (73.839, 69.540, 31.166), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 5160, " OE2" at (71.761, 69.381, 31.948), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 5161, " N  " at (73.409, 70.778, 26.781), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 5162, " HN " at (73.618, 71.268, 27.651), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 5163, " CA " at (74.094, 71.183, 25.581), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 5164, " C  " at (75.592, 70.979, 25.750), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 5165, " O  " at (76.133, 71.262, 26.804), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 5166, " CB " at (73.829, 72.703, 25.284), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 5167, " CG1" at (74.424, 73.093, 23.929), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 5168, " CG2" at (72.353, 73.022, 25.349), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 5169, " N  " at (76.244, 70.523, 24.681), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 5170, " HN " at (75.692, 70.177, 23.896), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 5171, " CA " at (77.697, 70.488, 24.564), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 5172, " C  " at (78.088, 71.247, 23.320), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 5173, " O  " at (77.648, 70.906, 22.197), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 5174, " CB " at (78.208, 69.030, 24.473), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 5175, " CG " at (79.679, 68.824, 24.046), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 5176, " CD1" at (80.651, 69.383, 25.058), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 5177, " CD2" at (79.988, 67.339, 23.815), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 5178, " N  " at (78.839, 72.318, 23.509), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 5179, " HN " at (79.004, 72.653, 24.458), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 5180, " CA " at (79.433, 73.027, 22.389), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 5181, " C  " at (80.950, 72.982, 22.543), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 5182, " O  " at (81.451, 73.372, 23.590), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 5183, " CB " at (78.926, 74.461, 22.351), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 5184, " CG " at (79.486, 75.257, 21.211), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 5185, " CD1" at (79.557, 74.710, 19.927), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 5186, " CD2" at (80.003, 76.535, 21.417), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 5187, " CE1" at (80.093, 75.433, 18.869), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 5188, " CE2" at (80.541, 77.285, 20.337), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 5189, " CZ " at (80.578, 76.726, 19.083), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 5190, " OH " at (81.122, 77.426, 18.008), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 5191, " HH " at (81.452, 78.305, 18.153), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 5192, " N  " at (81.654, 72.463, 21.530), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 5193, " HN " at (81.179, 72.268, 20.649), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 5194, " CA " at (83.076, 72.167, 21.643), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 5195, " C  " at (83.825, 72.556, 20.362), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 5196, " O  " at (84.285, 71.694, 19.596), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 5197, " CB " at (83.322, 70.668, 21.986), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 5198, " CG " at (84.790, 70.370, 22.340), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 5199, " SD " at (85.024, 68.862, 23.367), DEBUG: found_parm->rec_index = 5 was assigned atom type "SA" (rec_index= 5, atom_type= 5).
-Atom no. 5200, " CE " at (83.488, 68.140, 23.255), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 5201, " N  " at (83.972, 73.868, 20.134), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 5202, " CA " at (84.704, 74.342, 18.960), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 5203, " C  " at (86.214, 74.175, 19.109), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 5204, " O  " at (86.711, 74.230, 20.206), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 5205, " CB " at (84.359, 75.830, 18.915), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 5206, " CG " at (84.083, 76.174, 20.351), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 5207, " CD " at (83.408, 74.979, 20.933), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 5208, " N  " at (86.910, 73.927, 18.013), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 5209, " HN " at (86.416, 73.678, 17.156), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 5210, " CA " at (88.348, 73.999, 17.997), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 5211, " C  " at (88.672, 75.470, 17.722), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 5212, " O  " at (88.163, 76.056, 16.763), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 5213, " CB " at (88.891, 73.122, 16.894), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 5214, " OG " at (90.277, 73.131, 16.958), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 5215, " HG " at (90.619, 72.579, 16.264), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 5216, " N  " at (89.488, 76.062, 18.592), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 5217, " HN " at (89.911, 75.507, 19.336), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 5218, " CA " at (89.788, 77.470, 18.507), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 5219, " C  " at (91.291, 77.710, 18.383), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 5220, " O  " at (92.089, 77.114, 19.102), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 5221, " CB " at (89.199, 78.196, 19.716), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 5222, " CG1" at (87.677, 78.171, 19.614), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 5223, " CG2" at (89.755, 79.671, 19.807), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 5224, " CD1" at (86.919, 78.933, 20.712), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 5225, " N  " at (91.668, 78.547, 17.433), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 5226, " HN " at (90.997, 78.814, 16.713), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 5227, " CA " at (93.021, 79.102, 17.384), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 5228, " C  " at (92.997, 80.566, 17.881), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 5229, " O  " at (92.178, 81.386, 17.449), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 5230, " CB " at (93.590, 79.046, 15.979), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 5231, " CG " at (95.061, 79.416, 15.952), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 5232, " CD " at (95.663, 79.499, 14.565), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 5233, " NE " at (97.075, 79.856, 14.664), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 5234, " HE " at (97.368, 80.391, 15.482), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 5235, " CZ " at (98.010, 79.539, 13.772), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 5236, " NH1" at (97.699, 78.833, 12.691), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 5237, "1HH1" at (98.416, 78.590, 12.007), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 5238, "2HH1" at (96.734, 78.540, 12.538), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 5239, " NH2" at (99.275, 79.923, 13.973), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 5240, "1HH2" at (99.992, 79.680, 13.289), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 5241, "2HH2" at (99.514, 80.465, 14.803), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 5242, " N  " at (93.865, 80.868, 18.821), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 5243, " HN " at (94.557, 80.176, 19.109), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 5244, " CA " at (93.852, 82.176, 19.456), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 5245, " C  " at (95.237, 82.412, 20.071), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 5246, " O  " at (95.949, 81.450, 20.440), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 5247, " CB " at (92.730, 82.254, 20.501), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 5248, " CG " at (92.372, 83.666, 20.957), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 5249, " CD " at (91.075, 83.724, 21.747), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 5250, " NE2" at (90.408, 84.862, 21.683), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 5251, "1HE2" at (90.747, 85.672, 21.163), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 5252, "2HE2" at (89.538, 84.901, 22.213), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 5253, " OE1" at (90.661, 82.734, 22.383), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 5254, " N  " at (95.609, 83.687, 20.170), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 5255, " HN " at (94.939, 84.397, 19.873), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 5256, " CA " at (96.883, 84.141, 20.663), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 5257, " C  " at (96.635, 84.841, 22.010), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 5258, " O  " at (95.641, 85.534, 22.173), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 5259, " CB " at (97.495, 85.151, 19.664), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 5260, " CG " at (98.180, 84.539, 18.419), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 5261, " CD " at (98.668, 85.585, 17.375), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 5262, " NE " at (97.753, 85.656, 16.224), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 5263, " HE " at (97.361, 84.778, 15.882), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 5264, " CZ " at (97.394, 86.776, 15.591), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 5265, " NH1" at (97.885, 87.967, 15.966), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 5266, "1HH1" at (98.535, 88.025, 16.750), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 5267, "2HH1" at (97.611, 88.822, 15.483), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 5268, " NH2" at (96.543, 86.700, 14.566), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 5269, "1HH2" at (96.170, 85.795, 14.281), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 5270, "2HH2" at (96.269, 87.555, 14.083), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 5271, " N  " at (97.548, 84.684, 22.952), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 5272, " HN " at (98.440, 84.253, 22.708), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 5273, " CA " at (97.326, 85.100, 24.305), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 5274, " C  " at (98.589, 85.812, 24.765), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 5275, " O  " at (99.691, 85.470, 24.312), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 5276, " CB " at (97.035, 83.908, 25.236), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 5277, " CG " at (95.753, 83.180, 24.909), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 5278, " CD1" at (94.532, 83.658, 25.356), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 5279, " CD2" at (95.769, 82.031, 24.122), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 5280, " CE1" at (93.377, 83.030, 25.040), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 5281, " CE2" at (94.594, 81.353, 23.841), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 5282, " CZ " at (93.388, 81.866, 24.272), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 5283, " N  " at (98.397, 86.789, 25.653), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 5284, " HN " at (97.443, 87.111, 25.815), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 5285, " CA " at (99.460, 87.413, 26.394), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 5286, " C  " at (99.589, 86.677, 27.728), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 5287, " O  " at (98.627, 86.608, 28.501), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 5288, " CB " at (99.115, 88.885, 26.634), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 5289, " OG " at (99.827, 89.389, 27.740), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 5290, " HG " at (99.613, 90.302, 27.889), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 5291, " N  " at (100.760, 86.104, 27.981), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 5292, " HN " at (101.508, 86.171, 27.291), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 5293, " CA " at (101.000, 85.377, 29.231), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 5294, " C  " at (102.478, 85.128, 29.484), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 5295, " O  " at (103.333, 85.517, 28.689), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 5296, " CB " at (100.240, 84.052, 29.240), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 5297, " SG " at (100.595, 82.989, 27.855), DEBUG: found_parm->rec_index = 5 was assigned atom type "SA" (rec_index= 5, atom_type= 5).
-Atom no. 5298, " N  " at (102.775, 84.484, 30.600), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 5299, " HN " at (102.019, 84.131, 31.186), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 5300, " CA " at (104.160, 84.265, 31.016), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 5301, " C  " at (104.807, 83.167, 30.219), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 5302, " O  " at (104.526, 81.998, 30.444), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 5303, " CB " at (104.188, 83.900, 32.490), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 5304, " CG " at (105.556, 84.068, 33.113), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 5305, " OD1" at (106.546, 84.404, 32.434), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 5306, " OD2" at (105.721, 83.882, 34.321), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 5307, " N  " at (105.687, 83.547, 29.300), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 5308, " HN " at (105.874, 84.542, 29.177), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 5309, " CA " at (106.400, 82.580, 28.454), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 5310, " C  " at (107.803, 82.281, 28.999), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 5311, " O  " at (108.514, 81.421, 28.465), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 5312, " CB " at (106.423, 83.030, 26.971), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 5313, " CG1" at (107.188, 82.068, 26.113), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 5314, " CG2" at (105.005, 83.141, 26.434), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 5315, " N  " at (108.193, 82.953, 30.084), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 5316, " HN " at (107.558, 83.618, 30.525), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 5317, " CA " at (109.531, 82.739, 30.644), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 5318, " C  " at (109.723, 81.284, 31.099), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 5319, " O  " at (108.810, 80.672, 31.660), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 5320, " CB " at (109.827, 83.722, 31.793), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 5321, " OG " at (108.983, 83.472, 32.894), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 5322, " HG " at (109.166, 84.078, 33.602), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 5323, " N  " at (110.916, 80.748, 30.855), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 5324, " HN " at (111.635, 81.319, 30.412), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 5325, " CA " at (111.222, 79.374, 31.202), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 5326, " C  " at (110.784, 78.312, 30.204), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 5327, " O  " at (111.012, 77.129, 30.450), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 5328, " N  " at (110.192, 78.713, 29.079), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 5329, " HN " at (110.058, 79.711, 28.916), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 5330, " CA " at (109.733, 77.763, 28.079), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 5331, " C  " at (110.842, 76.770, 27.646), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 5332, " O  " at (110.544, 75.641, 27.223), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 5333, " CB " at (109.053, 78.467, 26.870), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 5334, " CG1" at (110.034, 79.209, 26.024), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 5335, " CG2" at (108.313, 77.479, 26.026), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 5336, " N  " at (112.095, 77.206, 27.820), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 5337, " HN " at (112.213, 78.110, 28.277), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 5338, " CA " at (113.316, 76.498, 27.412), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 5339, " C  " at (114.077, 75.781, 28.540), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 5340, " O  " at (115.093, 75.127, 28.283), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 5341, " CB " at (114.285, 77.494, 26.764), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 5342, " CG " at (114.258, 77.451, 25.236), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 5343, " OD1" at (114.827, 76.477, 24.656), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 5344, " OD2" at (113.729, 78.356, 24.535), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 5345, " N  " at (113.637, 75.951, 29.785), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 5346, " HN " at (112.917, 76.651, 29.962), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 5347, " CA " at (114.155, 75.163, 30.915), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 5348, " C  " at (113.318, 73.894, 31.035), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 5349, " O  " at (112.309, 73.752, 30.350), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 5350, " CB " at (114.170, 75.964, 32.286), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 5351, " CG2" at (114.590, 77.442, 32.098), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 5352, " OG1" at (112.848, 76.027, 32.855), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 5353, " HG1" at (112.857, 76.506, 33.675), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 5354, " N  " at (113.735, 72.985, 31.909), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 5355, " HN " at (114.568, 73.180, 32.465), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 5356, " CA " at (113.040, 71.718, 32.099), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 5357, " C  " at (111.728, 71.889, 32.853), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 5358, " O  " at (110.770, 71.165, 32.585), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 5359, " CB " at (113.944, 70.687, 32.797), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 5360, " CG " at (113.322, 69.299, 32.905), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 5361, " CD " at (114.343, 68.180, 33.044), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 5362, " OE1" at (115.308, 68.321, 33.843), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 5363, " OE2" at (114.169, 67.140, 32.363), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 5364, " N  " at (111.670, 72.847, 33.783), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 5365, " HN " at (112.503, 73.392, 34.006), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 5366, " CA " at (110.413, 73.115, 34.481), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 5367, " C  " at (109.390, 73.824, 33.594), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 5368, " O  " at (108.201, 73.857, 33.923), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 5369, " CB " at (110.629, 73.877, 35.790), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 5370, " OG " at (111.513, 74.963, 35.623), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 5371, " HG " at (111.647, 75.436, 36.436), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 5372, " N  " at (109.850, 74.369, 32.471), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 5373, " HN " at (110.856, 74.381, 32.304), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 5374, " CA " at (108.966, 74.946, 31.477), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 5375, " C  " at (108.342, 76.273, 31.852), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 5376, " O  " at (108.606, 76.828, 32.936), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 5377, " N  " at (107.516, 76.786, 30.940), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 5378, " HN " at (107.406, 76.307, 30.046), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 5379, " CA " at (106.771, 78.002, 31.182), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 5380, " C  " at (105.385, 77.632, 31.707), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 5381, " O  " at (104.892, 76.530, 31.453), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 5382, " CB " at (106.669, 78.813, 29.891), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 5383, " N  " at (104.760, 78.547, 32.436), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 5384, " HN " at (105.272, 79.366, 32.764), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 5385, " CA " at (103.340, 78.396, 32.777), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 5386, " C  " at (102.523, 79.566, 32.243), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 5387, " O  " at (102.612, 80.671, 32.794), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 5388, " CB " at (103.145, 78.258, 34.301), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 5389, " CG2" at (101.692, 77.863, 34.615), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 5390, " OG1" at (103.904, 77.139, 34.778), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 5391, " HG1" at (104.801, 77.383, 34.584), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 5392, " N  " at (101.737, 79.297, 31.190), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 5393, " HN " at (101.761, 78.359, 30.790), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 5394, " CA " at (100.851, 80.285, 30.593), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 5395, " C  " at (99.448, 80.177, 31.187), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 5396, " O  " at (98.819, 79.124, 31.128), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 5397, " CB " at (100.777, 80.101, 29.072), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 5398, " SG " at (99.582, 81.205, 28.229), DEBUG: found_parm->rec_index = 5 was assigned atom type "SA" (rec_index= 5, atom_type= 5).
-Atom no. 5399, " N  " at (98.944, 81.284, 31.715), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 5400, " HN " at (99.497, 82.141, 31.700), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 5401, " CA " at (97.620, 81.302, 32.315), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 5402, " C  " at (96.556, 81.919, 31.414), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 5403, " O  " at (96.709, 83.056, 30.975), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 5404, " CB " at (97.695, 82.077, 33.621), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 5405, " CG " at (96.923, 81.445, 34.730), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 5406, " CD " at (97.062, 82.133, 36.081), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 5407, " NE " at (98.334, 82.840, 36.224), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 5408, " HE " at (98.400, 83.785, 35.845), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 5409, " CZ " at (99.405, 82.333, 36.814), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 5410, " NH1" at (99.367, 81.096, 37.317), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 5411, "1HH1" at (100.192, 80.705, 37.772), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 5412, "2HH1" at (98.510, 80.547, 37.247), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 5413, " NH2" at (100.523, 83.049, 36.905), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 5414, "1HH2" at (101.348, 82.658, 37.360), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 5415, "2HH2" at (100.552, 83.993, 36.521), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 5416, " N  " at (95.483, 81.179, 31.148), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 5417, " HN " at (95.418, 80.236, 31.532), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 5418, " CA " at (94.397, 81.691, 30.317), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 5419, " C  " at (93.127, 81.863, 31.181), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 5420, " O  " at (92.642, 80.922, 31.803), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 5421, " CB " at (94.145, 80.759, 29.110), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 5422, " CG1" at (95.354, 80.749, 28.184), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 5423, " CG2" at (92.902, 81.161, 28.373), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 5424, " CD1" at (95.358, 79.616, 27.141), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 5425, " N  " at (92.605, 83.085, 31.219), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 5426, " HN " at (93.026, 83.820, 30.650), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 5427, " CA " at (91.458, 83.406, 32.043), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 5428, " C  " at (90.190, 83.516, 31.191), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 5429, " O  " at (90.134, 84.307, 30.244), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 5430, " CB " at (91.737, 84.708, 32.796), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 5431, " CG " at (90.536, 85.335, 33.499), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 5432, " CD " at (90.995, 86.565, 34.302), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 5433, " CE " at (89.766, 87.372, 34.774), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 5434, " NZ " at (90.138, 88.705, 35.301), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 5435, " HZ1" at (89.326, 89.238, 35.613), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 5436, " HZ2" at (90.685, 89.231, 34.619), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 5437, " HZ3" at (90.834, 88.627, 36.042), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 5438, " N  " at (89.173, 82.722, 31.533), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 5439, " HN " at (89.243, 82.143, 32.370), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 5440, " CA " at (87.957, 82.675, 30.717), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 5441, " C  " at (86.720, 82.845, 31.568), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 5442, " O  " at (86.573, 82.183, 32.605), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 5443, " CB " at (87.877, 81.354, 29.901), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 5444, " CG1" at (88.988, 81.340, 28.844), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 5445, " CG2" at (86.502, 81.218, 29.168), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 5446, " CD1" at (89.045, 80.085, 28.038), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 5447, " N  " at (85.821, 83.724, 31.144), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 5448, " HN " at (85.998, 84.278, 30.306), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 5449, " CA " at (84.585, 83.890, 31.884), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 5450, " C  " at (83.564, 84.597, 31.016), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 5451, " O  " at (83.897, 85.059, 29.924), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 5452, " N  " at (82.340, 84.685, 31.511), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 5453, " HN " at (82.121, 84.197, 32.379), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 5454, " CA " at (81.300, 85.456, 30.855), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 5455, " C  " at (81.717, 86.933, 30.790), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 5456, " O  " at (82.155, 87.527, 31.797), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 5457, " CB " at (79.993, 85.395, 31.617), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 5458, " OG " at (79.047, 86.230, 30.965), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 5459, " HG " at (78.227, 86.192, 31.443), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 5460, " N  " at (81.545, 87.510, 29.619), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 5461, " HN " at (81.154, 86.975, 28.844), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 5462, " CA " at (81.908, 88.906, 29.422), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 5463, " C  " at (80.936, 89.863, 30.100), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 5464, " O  " at (81.383, 90.888, 30.606), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 5465, " CB " at (82.055, 89.238, 27.914), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 5466, " CG " at (82.762, 90.593, 27.701), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 5467, " CD1" at (82.221, 91.745, 27.199), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 5468, " CD2" at (84.112, 90.907, 28.066), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 5469, " CE2" at (84.338, 92.264, 27.725), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 5470, " CE3" at (85.177, 90.155, 28.607), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 5471, " NE1" at (83.165, 92.758, 27.210), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 5472, " HE1" at (83.014, 93.714, 26.888), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 5473, " CZ2" at (85.573, 92.895, 27.916), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 5474, " CZ3" at (86.399, 90.762, 28.800), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 5475, " CH2" at (86.593, 92.148, 28.465), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 5476, " N  " at (79.621, 89.547, 30.087), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 5477, " HN " at (79.344, 88.627, 29.744), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 5478, " CA " at (78.580, 90.466, 30.543), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 5479, " C  " at (77.629, 89.946, 31.617), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 5480, " O  " at (76.791, 90.726, 32.089), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 5481, " CB " at (77.697, 91.008, 29.377), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 5482, " CG2" at (78.540, 91.371, 28.195), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 5483, " OG1" at (76.865, 89.937, 28.902), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 5484, " HG1" at (76.327, 90.267, 28.192), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 5485, " N  " at (77.727, 88.659, 31.970), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 5486, " HN " at (78.426, 88.070, 31.518), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 5487, " CA " at (76.846, 88.073, 33.000), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 5488, " C  " at (77.614, 87.834, 34.286), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 5489, " O  " at (78.616, 87.117, 34.277), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 5490, " CB " at (76.255, 86.737, 32.497), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 5491, " CG " at (75.207, 86.917, 31.461), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 5492, " CD2" at (73.936, 87.301, 31.540), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 5493, " ND1" at (75.415, 86.742, 30.140), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 5494, " HD1" at (76.296, 86.432, 29.731), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 5495, " CE1" at (74.328, 87.025, 29.445), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 5496, " NE2" at (73.408, 87.362, 30.279), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 5497, " HE2" at (72.452, 87.628, 30.042), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 5498, " N  " at (77.163, 88.460, 35.366), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 5499, " HN " at (76.350, 89.069, 35.274), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 5500, " CA " at (77.769, 88.316, 36.655), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 5501, " C  " at (77.399, 86.998, 37.339), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 5502, " O  " at (76.694, 86.163, 36.754), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 5503, " CB " at (77.443, 89.539, 37.551), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 5504, " CG " at (75.978, 89.785, 37.752), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 5505, " CD2" at (75.171, 90.764, 37.307), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 5506, " ND1" at (75.191, 89.037, 38.574), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 5507, " HD1" at (75.514, 88.233, 39.112), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 5508, " CE1" at (73.954, 89.494, 38.579), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 5509, " NE2" at (73.917, 90.555, 37.822), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 5510, " HE2" at (73.095, 91.132, 37.643), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 5511, " N  " at (77.875, 86.824, 38.579), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 5512, " HN " at (78.297, 87.619, 39.058), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 5513, " CA " at (77.813, 85.539, 39.272), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 5514, " C  " at (76.409, 85.035, 39.576), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 5515, " O  " at (76.217, 83.842, 39.785), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 5516, " CB " at (78.665, 85.526, 40.531), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 5517, " OG " at (78.151, 86.434, 41.528), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 5518, " HG " at (78.683, 86.426, 42.315), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 5519, " N  " at (75.412, 85.912, 39.583), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 5520, " HN " at (75.599, 86.903, 39.428), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 5521, " CA " at (74.033, 85.445, 39.816), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 5522, " C  " at (73.352, 84.996, 38.518), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 5523, " O  " at (72.229, 84.504, 38.517), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 5524, " CB " at (73.231, 86.496, 40.537), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 5525, " CG " at (73.807, 86.830, 41.920), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 5526, " CD " at (73.016, 87.819, 42.676), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 5527, " NE " at (72.909, 89.120, 42.001), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 5528, " HE " at (73.752, 89.689, 41.925), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 5529, " CZ " at (71.768, 89.610, 41.476), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 5530, " NH1" at (70.630, 88.902, 41.533), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 5531, "1HH1" at (70.628, 87.981, 41.971), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 5532, "2HH1" at (69.767, 89.273, 41.136), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 5533, " NH2" at (71.770, 90.814, 40.903), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 5534, "1HH2" at (72.635, 91.352, 40.860), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 5535, "2HH2" at (70.907, 91.185, 40.506), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 5536, " N  " at (74.066, 85.140, 37.412), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 5537, " HN " at (75.026, 85.477, 37.482), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 5538, " CA " at (73.526, 84.834, 36.113), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 5539, " C  " at (74.294, 83.712, 35.475), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 5540, " O  " at (73.708, 82.808, 34.902), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 5541, " CB " at (73.512, 86.092, 35.243), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 5542, " CG " at (72.452, 87.108, 35.701), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 5543, " CD " at (72.436, 88.380, 34.859), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 5544, " OE1" at (73.150, 88.466, 33.850), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 5545, " OE2" at (71.675, 89.287, 35.188), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 5546, " N  " at (75.613, 83.755, 35.556), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 5547, " HN " at (76.064, 84.556, 35.997), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 5548, " CA " at (76.434, 82.668, 35.021), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 5549, " C  " at (77.522, 82.316, 36.031), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 5550, " O  " at (78.287, 83.199, 36.463), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 5551, " CB " at (77.097, 83.075, 33.694), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 5552, " CG1" at (76.073, 83.158, 32.556), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 5553, " CG2" at (78.260, 82.122, 33.384), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 5554, " CD1" at (76.661, 83.278, 31.129), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 5555, " N  " at (77.588, 81.049, 36.427), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 5556, " HN " at (76.808, 80.422, 36.230), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 5557, " CA " at (78.754, 80.540, 37.137), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 5558, " C  " at (79.578, 79.699, 36.168), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 5559, " O  " at (79.031, 79.091, 35.237), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 5560, " CB " at (78.356, 79.743, 38.390), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 5561, " OG " at (77.571, 78.622, 38.031), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 5562, " HG " at (77.325, 78.130, 38.805), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 5563, " N  " at (80.893, 79.709, 36.336), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 5564, " HN " at (81.298, 80.270, 37.086), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 5565, " CA " at (81.766, 78.938, 35.474), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 5566, " C  " at (82.568, 78.027, 36.346), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 5567, " O  " at (83.040, 78.411, 37.415), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 5568, " CB " at (82.706, 79.786, 34.585), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 5569, " CG1" at (81.932, 80.401, 33.451), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 5570, " CG2" at (83.378, 80.873, 35.368), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 5571, " N  " at (82.734, 76.812, 35.860), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 5572, " HN " at (82.387, 76.601, 34.924), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 5573, " CA " at (83.393, 75.773, 36.616), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 5574, " C  " at (84.220, 74.929, 35.657), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 5575, " O  " at (83.865, 74.837, 34.490), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 5576, " CB " at (82.333, 74.905, 37.302), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 5577, " CG " at (82.159, 75.267, 38.742), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 5578, " OD1" at (83.057, 74.882, 39.530), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 5579, " OD2" at (81.182, 75.939, 39.187), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 5580, " N  " at (85.307, 74.330, 36.132), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 5581, " CA " at (86.032, 73.335, 35.327), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 5582, " C  " at (85.127, 72.139, 35.017), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 5583, " O  " at (84.375, 71.723, 35.893), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 5584, " CB " at (87.185, 72.901, 36.241), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 5585, " CG " at (87.258, 73.938, 37.310), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 5586, " CD " at (85.905, 74.520, 37.468), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 5587, " N  " at (85.158, 71.634, 33.779), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 5588, " HN " at (85.644, 72.145, 33.043), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 5589, " CA " at (84.502, 70.351, 33.457), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 5590, " C  " at (84.927, 69.285, 34.509), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 5591, " O  " at (86.108, 69.172, 34.838), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 5592, " CB " at (84.871, 69.910, 32.016), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 5593, " CG2" at (84.468, 68.463, 31.746), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 5594, " OG1" at (84.101, 70.656, 31.051), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 5595, " HG1" at (84.327, 70.386, 30.169), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 5596, " N  " at (83.986, 68.523, 35.048), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 5597, " HN " at (83.023, 68.579, 34.717), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 5598, " CA " at (84.352, 67.590, 36.136), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 5599, " C  " at (85.323, 66.464, 35.758), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 5600, " O  " at (86.379, 66.333, 36.411), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 5601, " CB " at (83.128, 66.991, 36.854), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 5602, " CG2" at (82.446, 68.035, 37.763), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 5603, " OG1" at (82.142, 66.602, 35.889), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 5604, " HG1" at (82.562, 65.959, 35.329), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 5605, " N  " at (84.968, 65.666, 34.735), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 5606, " HN " at (84.144, 65.923, 34.191), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 5607, " CA " at (85.703, 64.432, 34.349), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 5608, " C  " at (87.245, 64.544, 34.489), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 5609, " O  " at (87.882, 65.375, 33.818), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 5610, " CB " at (85.270, 63.927, 32.940), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 5611, " CG " at (85.854, 64.682, 31.733), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 5612, " CD " at (84.897, 64.844, 30.536), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 5613, " OE1" at (83.646, 64.929, 30.706), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 5614, " OE2" at (85.414, 64.922, 29.396), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 5615, " N  " at (87.825, 63.728, 35.378), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 5616, " HN " at (87.249, 63.033, 35.853), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 5617, " CA " at (89.262, 63.793, 35.698), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 5618, " C  " at (90.136, 64.134, 34.489), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 5619, " O  " at (90.349, 63.309, 33.598), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 5620, " CB " at (89.750, 62.509, 36.378), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 5621, " CG " at (91.057, 62.714, 37.128), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 5622, " ND2" at (90.989, 63.436, 38.243), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 5623, "1HD2" at (90.114, 63.826, 38.593), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 5624, "2HD2" at (91.866, 63.573, 38.746), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 5625, " OD1" at (92.115, 62.243, 36.705), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 5626, " N  " at (90.629, 65.369, 34.483), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 5627, " HN " at (90.575, 65.919, 35.340), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 5628, " CA " at (91.245, 65.975, 33.304), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 5629, " C  " at (92.677, 65.479, 33.026), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 5630, " O  " at (93.586, 65.647, 33.864), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 5631, " CB " at (91.177, 67.505, 33.424), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 5632, " OG " at (89.822, 67.947, 33.598), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 5633, " HG " at (89.780, 68.893, 33.672), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 5634, " N  " at (92.858, 64.836, 31.865), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 5635, " HN " at (92.047, 64.645, 31.277), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 5636, " CA " at (94.190, 64.394, 31.407), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 5637, " C  " at (94.759, 65.478, 30.496), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 5638, " O  " at (94.022, 66.035, 29.662), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 5639, " CB " at (94.155, 63.050, 30.658), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 5640, " CG " at (92.783, 62.364, 30.704), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 5641, " OD1" at (91.760, 63.012, 30.352), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 5642, " OD2" at (92.644, 61.168, 31.065), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 5643, " N  " at (96.059, 65.761, 30.654), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 5644, " HN " at (96.634, 65.120, 31.201), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 5645, " CA " at (96.695, 66.956, 30.073), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 5646, " C  " at (97.015, 66.817, 28.567), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 5647, " O  " at (96.371, 67.445, 27.717), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 5648, " CB " at (97.940, 67.381, 30.889), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 5649, " CG " at (97.693, 67.399, 32.423), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 5650, " OD1" at (96.625, 67.884, 32.866), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 5651, " OD2" at (98.520, 66.945, 33.261), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 5652, " N  " at (97.982, 65.959, 28.252), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 5653, " HN " at (98.450, 65.454, 29.005), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 5654, " CA " at (98.406, 65.706, 26.867), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 5655, " C  " at (97.382, 64.970, 25.964), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 5656, " O  " at (97.668, 64.719, 24.790), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 5657, " CB " at (99.752, 64.949, 26.875), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 5658, " OG " at (100.426, 65.071, 25.640), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 5659, " HG " at (101.254, 64.605, 25.645), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 5660, " N  " at (96.202, 64.646, 26.493), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 5661, " HN " at (95.923, 65.071, 27.377), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 5662, " CA " at (95.290, 63.695, 25.841), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 5663, " C  " at (95.314, 63.685, 24.321), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 5664, " O  " at (95.641, 62.665, 23.707), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 5665, " CB " at (93.840, 63.875, 26.322), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 5666, " CG " at (93.316, 62.676, 27.101), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 5667, " CD " at (92.384, 61.771, 26.295), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 5668, " OE1" at (91.159, 62.078, 26.279), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 5669, " OE2" at (92.862, 60.751, 25.701), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 5670, " N  " at (94.931, 64.821, 23.735), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 5671, " HN " at (94.696, 65.621, 24.322), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 5672, " CA " at (94.837, 64.960, 22.297), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 5673, " C  " at (95.906, 65.863, 21.707), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 5674, " O  " at (95.877, 66.111, 20.503), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 5675, " CB " at (93.448, 65.447, 21.877), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 5676, " CG " at (92.361, 64.707, 22.586), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 5677, " CD1" at (92.088, 63.382, 22.260), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 5678, " CD2" at (91.638, 65.307, 23.621), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 5679, " CE1" at (91.121, 62.665, 22.940), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 5680, " CE2" at (90.662, 64.606, 24.302), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 5681, " CZ " at (90.393, 63.283, 23.946), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 5682, " OH " at (89.433, 62.532, 24.612), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 5683, " HH " at (89.250, 61.632, 24.370), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 5684, " N  " at (96.841, 66.342, 22.539), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 5685, " HN " at (96.813, 66.066, 23.521), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 5686, " CA " at (97.903, 67.249, 22.090), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 5687, " C  " at (98.751, 66.624, 20.973), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 5688, " O  " at (99.104, 65.446, 21.037), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 5689, " CB " at (98.769, 67.700, 23.274), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 5690, " CG " at (99.704, 68.835, 22.949), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 5691, " CD1" at (99.225, 70.136, 22.852), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 5692, " CD2" at (101.060, 68.612, 22.733), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 5693, " CE1" at (100.083, 71.199, 22.565), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 5694, " CE2" at (101.907, 69.667, 22.452), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 5695, " CZ " at (101.428, 70.963, 22.364), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 5696, " N  " at (99.073, 67.422, 19.960), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 5697, " HN " at (98.785, 68.400, 19.982), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 5698, " CA " at (99.835, 66.921, 18.811), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 5699, " C  " at (101.234, 66.368, 19.180), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 5700, " O  " at (102.004, 67.024, 19.860), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 5701, " CB " at (99.964, 68.013, 17.745), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 5702, " OG " at (100.790, 67.594, 16.682), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 5703, " HG " at (100.870, 68.271, 16.021), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 5704, " N  " at (101.541, 65.167, 18.709), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 5705, " HN " at (100.831, 64.637, 18.204), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 5706, " CA " at (102.869, 64.580, 18.893), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 5707, " C  " at (103.886, 65.268, 17.975), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 5708, " O  " at (105.084, 65.049, 18.093), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 5709, " CB " at (102.847, 63.066, 18.624), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 5710, " CG " at (102.647, 62.703, 17.162), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 5711, " CD " at (102.447, 61.222, 16.945), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 5712, " NE2" at (101.201, 60.824, 16.693), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 5713, "1HE2" at (100.409, 61.465, 16.647), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 5714, "2HE2" at (101.066, 59.824, 16.546), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 5715, " OE1" at (103.403, 60.449, 17.001), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 5716, " N  " at (103.396, 66.123, 17.077), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 5717, " HN " at (102.397, 66.329, 17.073), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 5718, " CA " at (104.266, 66.769, 16.100), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 5719, " C  " at (104.624, 68.203, 16.480), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 5720, " O  " at (105.524, 68.811, 15.900), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 5721, " CB " at (103.681, 66.661, 14.695), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 5722, " CG " at (103.455, 65.220, 14.277), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 5723, " CD1" at (104.489, 64.293, 14.303), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 5724, " CD2" at (102.197, 64.781, 13.894), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 5725, " CE1" at (104.279, 62.975, 13.935), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 5726, " CE2" at (101.976, 63.446, 13.538), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 5727, " CZ " at (103.026, 62.553, 13.556), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 5728, " OH " at (102.816, 61.234, 13.190), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 5729, " HH " at (103.540, 60.619, 13.202), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 5730, " N  " at (103.955, 68.727, 17.495), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 5731, " HN " at (103.143, 68.232, 17.863), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 5732, " CA " at (104.349, 69.992, 18.099), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 5733, " C  " at (105.821, 70.067, 18.517), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 5734, " O  " at (106.493, 69.047, 18.810), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 5735, " CB " at (103.471, 70.293, 19.303), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 5736, " OG " at (103.666, 71.637, 19.810), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 5737, " HG " at (103.117, 71.825, 20.562), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 5738, " N  " at (106.332, 71.284, 18.523), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 5739, " HN " at (105.752, 72.061, 18.204), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 5740, " CA " at (107.695, 71.562, 18.968), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 5741, " C  " at (107.765, 71.609, 20.488), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 5742, " O  " at (108.855, 71.625, 21.080), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 5743, " CB " at (108.122, 72.918, 18.468), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 5744, " CG " at (109.113, 72.893, 17.359), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 5745, " CD " at (109.530, 74.304, 16.966), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 5746, " NE " at (108.350, 75.177, 16.899), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 5747, " HE " at (107.434, 74.729, 16.879), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 5748, " CZ " at (108.385, 76.515, 16.862), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 5749, " NH1" at (109.569, 77.152, 16.870), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 5750, "1HH1" at (109.596, 78.171, 16.842), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 5751, "2HH1" at (110.444, 76.629, 16.913), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 5752, " NH2" at (107.228, 77.207, 16.805), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 5753, "1HH2" at (107.255, 78.226, 16.777), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 5754, "2HH2" at (106.330, 76.724, 16.799), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 5755, " N  " at (106.587, 71.655, 21.099), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 5756, " HN " at (105.749, 71.596, 20.520), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 5757, " CA " at (106.408, 71.784, 22.535), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 5758, " C  " at (105.742, 70.527, 23.083), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 5759, " O  " at (105.075, 69.782, 22.348), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 5760, " CB " at (105.541, 73.027, 22.819), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 5761, " CG " at (106.131, 74.305, 22.252), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 5762, " CD1" at (105.765, 74.758, 20.979), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 5763, " CD2" at (107.101, 75.018, 22.963), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 5764, " CE1" at (106.326, 75.926, 20.429), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 5765, " CE2" at (107.657, 76.181, 22.426), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 5766, " CZ " at (107.260, 76.624, 21.135), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 5767, " N  " at (105.912, 70.320, 24.379), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 5768, " HN " at (106.553, 70.926, 24.890), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 5769, " CA " at (105.221, 69.261, 25.109), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 5770, " C  " at (104.560, 69.863, 26.334), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 5771, " O  " at (105.028, 70.871, 26.878), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 5772, " CB " at (106.179, 68.133, 25.509), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 5773, " CG " at (107.388, 68.571, 26.331), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 5774, " CD " at (108.343, 67.422, 26.648), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 5775, " OE1" at (107.935, 66.240, 26.510), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 5776, " OE2" at (109.502, 67.694, 27.017), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 5777, " N  " at (103.455, 69.257, 26.742), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 5778, " HN " at (103.116, 68.443, 26.229), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 5779, " CA " at (102.713, 69.721, 27.901), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 5780, " C  " at (103.147, 68.944, 29.136), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 5781, " O  " at (103.185, 67.705, 29.144), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 5782, " CB " at (101.224, 69.597, 27.645), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 5783, " CG1" at (100.812, 70.630, 26.575), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 5784, " CG2" at (100.461, 69.717, 28.976), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 5785, " CD1" at (99.371, 70.537, 26.161), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 5786, " N  " at (103.514, 69.677, 30.175), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 5787, " HN " at (103.530, 70.694, 30.095), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 5788, " CA " at (103.894, 69.047, 31.428), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 5789, " C  " at (102.693, 68.852, 32.341), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 5790, " O  " at (102.578, 67.817, 32.994), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 5791, " CB " at (104.998, 69.849, 32.128), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 5792, " CG " at (106.239, 70.078, 31.262), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 5793, " CD1" at (107.242, 71.011, 31.936), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 5794, " CD2" at (106.885, 68.756, 30.883), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 5795, " N  " at (101.817, 69.858, 32.381), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 5796, " HN " at (101.954, 70.645, 31.747), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 5797, " CA " at (100.669, 69.889, 33.289), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 5798, " C  " at (99.647, 70.954, 32.896), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 5799, " O  " at (100.003, 72.001, 32.388), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 5800, " CB " at (101.140, 70.197, 34.713), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 5801, " CG " at (100.311, 69.502, 35.769), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 5802, " OD1" at (99.188, 69.065, 35.457), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 5803, " OD2" at (100.714, 69.339, 36.937), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 5804, " N  " at (98.374, 70.655, 33.136), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 5805, " HN " at (98.148, 69.714, 33.459), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 5806, " CA " at (97.290, 71.606, 32.960), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 5807, " C  " at (96.503, 71.589, 34.256), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 5808, " O  " at (96.024, 70.524, 34.665), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 5809, " CB " at (96.364, 71.223, 31.805), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 5810, " CG1" at (95.237, 72.298, 31.611), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 5811, " CG2" at (97.140, 71.041, 30.520), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 5812, " N  " at (96.423, 72.738, 34.937), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 5813, " HN " at (96.985, 73.532, 34.631), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 5814, " CA " at (95.547, 72.895, 36.119), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 5815, " C  " at (94.509, 73.999, 35.935), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 5816, " O  " at (94.747, 74.972, 35.209), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 5817, " CB " at (96.341, 73.182, 37.415), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 5818, " CG2" at (97.338, 72.039, 37.767), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 5819, " OG1" at (97.149, 74.353, 37.234), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 5820, " HG1" at (97.637, 74.529, 38.030), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 5821, " N  " at (93.379, 73.850, 36.628), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 5822, " HN " at (93.219, 72.989, 37.150), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 5823, " CA " at (92.369, 74.902, 36.649), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 5824, " C  " at (91.983, 75.380, 38.029), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 5825, " O  " at (92.061, 74.649, 39.024), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 5826, " CB " at (91.112, 74.502, 35.890), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 5827, " CG " at (90.970, 73.043, 35.640), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 5828, " CD " at (91.026, 72.779, 34.168), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 5829, " NE2" at (92.148, 72.177, 33.727), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 5830, "1HE2" at (92.186, 71.997, 32.724), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 5831, "2HE2" at (92.911, 71.885, 34.338), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 5832, " OE1" at (90.073, 73.144, 33.405), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 5833, " N  " at (91.557, 76.631, 38.060), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 5834, " HN " at (91.501, 77.143, 37.180), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 5835, " CA " at (91.165, 77.316, 39.278), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 5836, " C  " at (90.000, 78.239, 38.900), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 5837, " O  " at (90.108, 79.032, 37.955), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 5838, " CB " at (92.344, 78.142, 39.757), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 5839, " CG " at (92.352, 78.462, 41.215), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 5840, " CD " at (92.656, 79.938, 41.423), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 5841, " CE " at (92.977, 80.248, 42.895), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 5842, " NZ " at (94.410, 80.651, 43.102), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 5843, " HZ1" at (94.623, 80.857, 44.078), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 5844, " HZ2" at (94.661, 81.435, 42.499), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 5845, " HZ3" at (95.046, 79.946, 42.729), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 5846, " N  " at (88.885, 78.152, 39.618), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 5847, " HN " at (88.779, 77.427, 40.328), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 5848, " CA " at (87.815, 79.115, 39.370), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 5849, " C  " at (87.978, 80.336, 40.261), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 5850, " O  " at (88.337, 80.205, 41.391), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 5851, " CB " at (86.402, 78.483, 39.432), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 5852, " CG " at (85.963, 77.961, 40.770), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 5853, " CD " at (84.481, 77.589, 40.728), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 5854, " CE " at (83.586, 78.768, 41.115), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 5855, " NZ " at (82.384, 78.903, 40.214), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 5856, " HZ1" at (81.787, 79.689, 40.472), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 5857, " HZ2" at (81.851, 78.034, 40.181), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 5858, " HZ3" at (82.664, 78.961, 39.235), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 5859, " N  " at (87.776, 81.529, 39.717), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 5860, " HN " at (87.594, 81.605, 38.716), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 5861, " CA " at (87.813, 82.738, 40.543), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 5862, " C  " at (86.506, 83.487, 40.444), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 5863, " O  " at (85.700, 83.242, 39.565), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 5864, " CB " at (88.955, 83.697, 40.144), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 5865, " CG " at (90.320, 83.007, 40.038), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 5866, " ND2" at (90.609, 82.447, 38.863), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 5867, "1HD2" at (91.517, 81.988, 38.792), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 5868, "2HD2" at (89.951, 82.435, 38.084), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 5869, " OD1" at (91.111, 83.021, 40.974), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 5870, " N  " at (86.337, 84.432, 41.349), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 5871, " HN " at (87.057, 84.541, 42.063), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 5872, " CA " at (85.199, 85.324, 41.397), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 5873, " C  " at (85.775, 86.741, 41.551), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 5874, " O  " at (86.330, 87.069, 42.616), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 5875, " CB " at (84.354, 84.963, 42.618), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 5876, " OG " at (82.975, 85.048, 42.323), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 5877, " HG " at (82.450, 84.824, 43.082), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 5878, " N  " at (85.662, 87.564, 40.507), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 5879, " HN " at (85.129, 87.262, 39.691), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 5880, " CA " at (86.289, 88.902, 40.503), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 5881, " C  " at (85.284, 90.072, 40.381), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 5882, " O  " at (84.302, 90.037, 39.604), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 5883, " CB " at (87.420, 89.044, 39.398), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 5884, " CG1" at (88.198, 90.369, 39.545), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 5885, " CG2" at (88.443, 87.835, 39.407), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 5886, " N  " at (85.549, 91.103, 41.156), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 5887, " HN " at (86.299, 91.014, 41.842), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 5888, " CA " at (84.820, 92.371, 41.081), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 5889, " C  " at (85.690, 93.435, 40.338), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 5890, " O  " at (86.800, 93.752, 40.788), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 5891, " CB " at (84.432, 92.791, 42.536), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 5892, " CG2" at (83.758, 94.173, 42.606), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 5893, " OG1" at (83.431, 91.879, 43.035), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 5894, " HG1" at (83.195, 92.134, 43.919), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 5895, " N  " at (85.216, 93.923, 39.182), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 5896, " HN " at (84.344, 93.543, 38.815), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 5897, " CA " at (85.903, 94.992, 38.411), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 5898, " C  " at (85.293, 96.387, 38.715), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 5899, " O  " at (84.139, 96.483, 39.144), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 5900, " CB " at (85.874, 94.705, 36.904), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 5901, " CG " at (86.299, 93.281, 36.547), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 5902, " CD1" at (87.628, 92.972, 36.285), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 5903, " CD2" at (85.373, 92.255, 36.512), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 5904, " CE1" at (88.032, 91.640, 35.954), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 5905, " CE2" at (85.748, 90.939, 36.197), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 5906, " CZ " at (87.079, 90.639, 35.936), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 5907, " OH " at (87.444, 89.332, 35.649), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 5908, " HH " at (88.354, 89.127, 35.471), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 5909, " N  " at (86.063, 97.449, 38.488), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 5910, " HN " at (87.000, 97.309, 38.110), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 5911, " CA " at (85.603, 98.814, 38.765), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 5912, " C  " at (84.443, 99.260, 37.873), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 5913, " O  " at (83.683, 100.135, 38.246), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 5914, " CB " at (86.764, 99.785, 38.624), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 5915, " OG " at (87.894, 99.297, 39.326), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 5916, " HG " at (88.620, 99.904, 39.238), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 5917, " N  " at (84.285, 98.657, 36.704), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 5918, " HN " at (84.919, 97.909, 36.423), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 5919, " CA " at (83.196, 99.069, 35.818), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 5920, " C  " at (81.854, 98.846, 36.482), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 5921, " O  " at (80.903, 99.613, 36.281), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 5922, " CB " at (83.199, 98.234, 34.548), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 5923, " SG " at (82.713, 96.516, 34.850), DEBUG: found_parm->rec_index = 5 was assigned atom type "SA" (rec_index= 5, atom_type= 5).
-Atom no. 5924, " N  " at (81.791, 97.771, 37.268), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 5925, " HN " at (82.663, 97.335, 37.568), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 5926, " CA " at (80.528, 97.189, 37.720), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 5927, " C  " at (80.567, 96.714, 39.175), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 5928, " O  " at (81.628, 96.325, 39.689), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 5929, " CB " at (80.148, 96.044, 36.792), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 5930, " SG " at (80.672, 96.340, 35.079), DEBUG: found_parm->rec_index = 5 was assigned atom type "SA" (rec_index= 5, atom_type= 5).
-Atom no. 5931, " N  " at (79.418, 96.759, 39.842), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 5932, " CA " at (79.361, 96.428, 41.271), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 5933, " C  " at (79.267, 94.915, 41.574), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 5934, " O  " at (79.525, 94.491, 42.698), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 5935, " CB " at (78.108, 97.187, 41.740), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 5936, " CG " at (77.169, 97.125, 40.486), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 5937, " CD " at (78.102, 97.160, 39.301), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 5938, " N  " at (78.937, 94.105, 40.580), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 5939, " HN " at (78.798, 94.487, 39.645), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 5940, " CA " at (78.769, 92.663, 40.807), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 5941, " C  " at (80.050, 91.888, 40.505), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 5942, " O  " at (80.930, 92.351, 39.757), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 5943, " CB " at (77.583, 92.120, 39.996), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 5944, " CG " at (76.252, 91.974, 40.753), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 5945, " CD " at (76.291, 90.914, 41.877), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 5946, " OE1" at (76.737, 89.749, 41.635), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 5947, " OE2" at (75.890, 91.246, 43.028), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 5948, " N  " at (80.154, 90.705, 41.101), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 5949, " HN " at (79.420, 90.412, 41.746), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 5950, " CA " at (81.285, 89.810, 40.863), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 5951, " C  " at (81.065, 88.965, 39.621), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 5952, " O  " at (79.946, 88.512, 39.369), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 5953, " CB " at (81.509, 88.927, 42.066), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 5954, " N  " at (82.136, 88.752, 38.848), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 5955, " HN " at (83.026, 89.167, 39.122), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 5956, " CA " at (82.084, 87.954, 37.635), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 5957, " C  " at (82.983, 86.766, 37.808), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 5958, " O  " at (84.117, 86.913, 38.236), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 5959, " CB " at (82.571, 88.764, 36.426), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 5960, " CG " at (81.611, 89.867, 36.054), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 5961, " CD1" at (81.654, 91.091, 36.721), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 5962, " CD2" at (80.646, 89.678, 35.081), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 5963, " CE1" at (80.772, 92.090, 36.417), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 5964, " CE2" at (79.767, 90.667, 34.760), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 5965, " CZ " at (79.837, 91.883, 35.430), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 5966, " OH " at (78.961, 92.887, 35.150), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 5967, " HH " at (79.009, 93.718, 35.608), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 5968, " N  " at (82.510, 85.597, 37.411), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 5969, " HN " at (81.597, 85.544, 36.960), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 5970, " CA " at (83.288, 84.388, 37.616), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 5971, " C  " at (84.168, 84.077, 36.423), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 5972, " O  " at (83.821, 84.361, 35.266), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 5973, " CB " at (82.383, 83.206, 37.955), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 5974, " CG " at (81.651, 83.357, 39.274), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 5975, " CD " at (80.961, 82.083, 39.720), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 5976, " OE1" at (81.127, 81.020, 39.056), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 5977, " OE2" at (80.274, 82.136, 40.750), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 5978, " N  " at (85.319, 83.493, 36.713), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 5979, " HN " at (85.595, 83.371, 37.687), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 5980, " CA " at (86.182, 83.029, 35.661), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 5981, " C  " at (86.819, 81.682, 36.006), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 5982, " O  " at (86.901, 81.283, 37.177), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 5983, " CB " at (87.247, 84.075, 35.289), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 5984, " CG " at (88.252, 84.294, 36.368), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 5985, " OD1" at (89.058, 83.367, 36.613), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 5986, " OD2" at (88.335, 85.375, 37.029), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 5987, " N  " at (87.265, 80.986, 34.977), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 5988, " HN " at (86.951, 81.216, 34.034), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 5989, " CA " at (88.201, 79.893, 35.181), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 5990, " C  " at (89.566, 80.278, 34.649), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 5991, " O  " at (89.683, 80.810, 33.544), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 5992, " CB " at (87.707, 78.596, 34.543), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 5993, " CG1" at (88.783, 77.503, 34.677), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 5994, " CG2" at (86.443, 78.138, 35.256), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 5995, " N  " at (90.587, 80.037, 35.450), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 5996, " HN " at (90.402, 79.685, 36.389), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 5997, " CA " at (91.968, 80.255, 35.041), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 5998, " C  " at (92.589, 78.927, 34.709), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 5999, " O  " at (92.708, 78.053, 35.580), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 6000, " CB " at (92.788, 80.991, 36.125), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 6001, " CG " at (92.699, 82.514, 36.019), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 6002, " CD " at (93.363, 83.290, 37.164), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 6003, " OE1" at (93.995, 82.675, 38.087), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 6004, " OE2" at (93.234, 84.543, 37.140), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 6005, " N  " at (92.988, 78.781, 33.452), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 6006, " HN " at (92.844, 79.546, 32.792), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 6007, " CA " at (93.631, 77.546, 32.988), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 6008, " C  " at (95.146, 77.725, 32.881), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 6009, " O  " at (95.650, 78.520, 32.073), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 6010, " CB " at (93.031, 77.068, 31.661), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 6011, " CG1" at (93.716, 75.794, 31.176), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 6012, " CG2" at (91.526, 76.818, 31.812), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 6013, " N  " at (95.877, 76.983, 33.699), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 6014, " HN " at (95.414, 76.329, 34.330), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 6015, " CA " at (97.343, 77.085, 33.714), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 6016, " C  " at (97.978, 75.989, 32.901), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 6017, " O  " at (97.936, 74.816, 33.290), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 6018, " CB " at (97.858, 77.081, 35.146), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 6019, " OG " at (97.365, 78.239, 35.803), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 6020, " HG " at (97.686, 78.237, 36.697), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 6021, " N  " at (98.555, 76.376, 31.763), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 6022, " HN " at (98.511, 77.365, 31.516), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 6023, " CA " at (99.245, 75.473, 30.849), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 6024, " C  " at (100.748, 75.503, 31.123), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 6025, " O  " at (101.417, 76.493, 30.849), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 6026, " CB " at (98.948, 75.866, 29.408), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 6027, " CG " at (99.698, 75.158, 28.271), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 6028, " CD1" at (99.266, 73.714, 28.172), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 6029, " CD2" at (99.420, 75.900, 26.965), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 6030, " N  " at (101.255, 74.413, 31.688), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 6031, " HN " at (100.613, 73.668, 31.958), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 6032, " CA " at (102.686, 74.222, 31.945), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 6033, " C  " at (103.282, 73.446, 30.775), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 6034, " O  " at (102.914, 72.304, 30.534), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 6035, " CB " at (102.909, 73.485, 33.290), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 6036, " CG " at (104.404, 73.374, 33.700), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 6037, " ND2" at (105.230, 74.338, 33.276), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 6038, "1HD2" at (106.211, 74.265, 33.545), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 6039, "2HD2" at (104.914, 75.105, 32.682), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 6040, " OD1" at (104.785, 72.451, 34.415), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 6041, " N  " at (104.175, 74.083, 30.030), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 6042, " HN " at (104.509, 75.000, 30.326), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 6043, " CA " at (104.688, 73.502, 28.802), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 6044, " C  " at (106.151, 73.909, 28.584), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 6045, " O  " at (106.640, 74.866, 29.195), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 6046, " CB " at (103.798, 73.895, 27.617), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 6047, " CG " at (103.967, 75.312, 27.186), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 6048, " CD1" at (103.407, 76.350, 27.914), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 6049, " CD2" at (104.706, 75.619, 26.036), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 6050, " CE1" at (103.578, 77.687, 27.511), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 6051, " CE2" at (104.862, 76.968, 25.623), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 6052, " CZ " at (104.304, 77.986, 26.371), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 6053, " N  " at (106.853, 73.184, 27.729), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 6054, " HN " at (106.412, 72.387, 27.270), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 6055, " CA " at (108.232, 73.499, 27.433), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 6056, " C  " at (108.571, 73.059, 26.016), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 6057, " O  " at (107.871, 72.240, 25.406), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 6058, " CB " at (109.186, 72.807, 28.431), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 6059, " CG " at (109.215, 71.286, 28.340), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 6060, " CD " at (110.210, 70.601, 29.296), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 6061, " NE " at (110.163, 69.154, 29.129), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 6062, " HE " at (109.825, 68.796, 28.236), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 6063, " CZ " at (110.525, 68.264, 30.046), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 6064, " NH1" at (110.974, 68.661, 31.234), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 6065, "1HH1" at (111.252, 67.978, 31.938), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 6066, "2HH1" at (111.040, 69.658, 31.439), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 6067, " NH2" at (110.439, 66.965, 29.779), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 6068, "1HH2" at (110.717, 66.282, 30.483), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 6069, "2HH2" at (110.095, 66.661, 28.868), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 6070, " N  " at (109.663, 73.604, 25.505), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 6071, " HN " at (110.159, 74.329, 26.023), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 6072, " CA " at (110.153, 73.177, 24.222), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 6073, " C  " at (110.806, 71.800, 24.400), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 6074, " O  " at (111.518, 71.558, 25.397), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 6075, " CB " at (111.130, 74.219, 23.674), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 6076, " CG " at (111.766, 73.896, 22.302), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 6077, " CD " at (111.172, 74.776, 21.197), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 6078, " CE " at (112.051, 76.005, 20.925), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 6079, " NZ " at (112.342, 76.794, 22.177), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 6080, " HZ1" at (112.926, 77.611, 21.996), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 6081, " HZ2" at (112.753, 76.201, 22.898), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 6082, " HZ3" at (111.480, 77.057, 22.654), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 6083, " N  " at (110.524, 70.904, 23.449), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 6084, " HN " at (109.811, 71.139, 22.759), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 6085, " CA " at (111.185, 69.608, 23.349), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 6086, " C  " at (112.694, 69.776, 23.178), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 6087, " O  " at (113.140, 70.789, 22.636), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 6088, " CB " at (110.639, 68.839, 22.162), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 6089, " CG " at (109.272, 68.300, 22.380), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 6090, " CD " at (108.751, 67.755, 21.085), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 6091, " CE " at (107.487, 66.988, 21.297), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 6092, " NZ " at (106.951, 66.561, 19.969), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 6093, " HZ1" at (106.088, 66.037, 20.114), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 6094, " HZ2" at (107.636, 66.039, 19.423), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 6095, " HZ3" at (106.827, 67.346, 19.329), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 6096, " N  " at (113.472, 68.783, 23.629), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 6097, " HN " at (113.029, 67.981, 24.078), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 6098, " CA " at (114.926, 68.799, 23.506), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 6099, " C  " at (115.619, 68.464, 24.811), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 6100, " O  " at (115.087, 68.531, 25.890), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 6101, " N  " at (54.660, 92.329, 35.503), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 6102, " HN1" at (54.299, 92.650, 36.401), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 6103, " HN2" at (53.934, 91.877, 34.947), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 6104, " HN3" at (54.868, 93.110, 34.881), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 6105, " CA " at (55.844, 91.442, 35.684), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 6106, " C  " at (56.382, 90.963, 34.344), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 6107, " O  " at (55.640, 90.456, 33.505), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 6108, " CB " at (55.505, 90.235, 36.561), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 6109, " CG " at (56.107, 88.922, 36.072), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 6110, " CD " at (56.635, 88.038, 37.194), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 6111, " OE1" at (55.802, 87.452, 37.939), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 6112, " OE2" at (57.881, 87.904, 37.312), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 6113, " N  " at (57.676, 91.139, 34.133), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 6114, " HN " at (58.240, 91.632, 34.825), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 6115, " CA " at (58.301, 90.633, 32.919), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 6116, " C  " at (59.409, 89.700, 33.338), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 6117, " O  " at (60.048, 89.926, 34.385), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 6118, " CB " at (58.919, 91.761, 32.091), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 6119, " CG " at (58.006, 92.923, 31.861), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 6120, " CD1" at (56.941, 92.820, 30.961), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 6121, " CD2" at (58.213, 94.137, 32.531), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 6122, " CE1" at (56.078, 93.910, 30.734), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 6123, " CE2" at (57.372, 95.231, 32.321), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 6124, " CZ " at (56.296, 95.125, 31.413), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 6125, " N  " at (59.641, 88.654, 32.548), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 6126, " HN " at (58.964, 88.390, 31.832), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 6127, " CA " at (60.868, 87.891, 32.715), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 6128, " C  " at (61.890, 88.354, 31.659), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 6129, " O  " at (61.600, 89.214, 30.814), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 6130, " CB " at (60.601, 86.369, 32.687), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 6131, " CG " at (60.011, 85.888, 31.346), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 6132, " OD1" at (60.081, 86.636, 30.332), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 6133, " OD2" at (59.440, 84.776, 31.210), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 6134, " N  " at (63.088, 87.797, 31.708), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 6135, " HN " at (63.279, 87.074, 32.401), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 6136, " CA " at (64.140, 88.205, 30.782), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 6137, " C  " at (63.685, 88.039, 29.343), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 6138, " O  " at (63.924, 88.917, 28.509), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 6139, " CB " at (65.411, 87.398, 31.026), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 6140, " CG " at (66.299, 87.966, 32.096), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 6141, " CD " at (67.296, 86.949, 32.704), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 6142, " NE " at (68.112, 87.595, 33.711), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 6143, " HE " at (68.925, 88.121, 33.390), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 6144, " CZ " at (67.886, 87.557, 35.014), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 6145, " NH1" at (66.860, 86.844, 35.513), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 6146, "1HH1" at (66.236, 86.331, 34.890), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 6147, "2HH1" at (66.686, 86.815, 36.518), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 6148, " NH2" at (68.705, 88.230, 35.831), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 6149, "1HH2" at (69.483, 88.771, 35.453), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 6150, "2HH2" at (68.531, 88.201, 36.836), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 6151, " N  " at (63.014, 86.926, 29.050), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 6152, " HN " at (62.833, 86.243, 29.786), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 6153, " CA " at (62.536, 86.666, 27.704), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 6154, " C  " at (61.617, 87.792, 27.199), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 6155, " O  " at (61.756, 88.244, 26.043), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 6156, " CB " at (61.860, 85.311, 27.632), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 6157, " N  " at (60.707, 88.256, 28.069), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 6158, " HN " at (60.659, 87.839, 28.999), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 6159, " CA " at (59.775, 89.345, 27.731), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 6160, " C  " at (60.533, 90.677, 27.449), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 6161, " O  " at (60.308, 91.337, 26.423), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 6162, " CB " at (58.772, 89.559, 28.861), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 6163, " CG " at (57.835, 88.381, 29.059), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 6164, " OD1" at (57.584, 87.634, 28.079), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 6165, " OD2" at (57.302, 88.116, 30.169), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 6166, " N  " at (61.438, 91.038, 28.362), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 6167, " HN " at (61.571, 90.447, 29.183), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 6168, " CA " at (62.240, 92.242, 28.228), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 6169, " C  " at (62.983, 92.227, 26.887), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 6170, " O  " at (62.925, 93.198, 26.113), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 6171, " CB " at (63.237, 92.407, 29.431), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 6172, " CG1" at (62.486, 92.610, 30.766), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 6173, " CG2" at (64.176, 93.619, 29.210), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 6174, " CD1" at (63.342, 92.250, 32.010), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 6175, " N  " at (63.631, 91.106, 26.601), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 6176, " HN " at (63.558, 90.314, 27.240), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 6177, " CA " at (64.444, 90.975, 25.400), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 6178, " C  " at (63.605, 90.951, 24.121), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 6179, " O  " at (64.009, 91.518, 23.115), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 6180, " CB " at (65.391, 89.772, 25.488), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 6181, " CG " at (66.557, 90.022, 26.446), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 6182, " CD1" at (67.148, 88.706, 26.962), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 6183, " CD2" at (67.621, 90.844, 25.787), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 6184, " N  " at (62.456, 90.304, 24.172), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 6185, " HN " at (62.237, 89.746, 24.997), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 6186, " CA " at (61.498, 90.365, 23.090), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 6187, " C  " at (61.011, 91.823, 22.825), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 6188, " O  " at (61.029, 92.301, 21.694), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 6189, " CB " at (60.302, 89.476, 23.416), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 6190, " CG " at (59.215, 89.463, 22.368), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 6191, " CD1" at (59.402, 88.828, 21.137), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 6192, " CD2" at (57.992, 90.070, 22.615), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 6193, " CE1" at (58.390, 88.795, 20.184), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 6194, " CE2" at (56.975, 90.046, 21.683), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 6195, " CZ " at (57.173, 89.419, 20.468), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 6196, " OH " at (56.135, 89.413, 19.545), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 6197, " HH " at (55.307, 89.837, 19.738), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 6198, " N  " at (60.602, 92.519, 23.877), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 6199, " HN " at (60.623, 92.093, 24.803), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 6200, " CA " at (60.125, 93.881, 23.724), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 6201, " C  " at (61.206, 94.784, 23.169), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 6202, " O  " at (60.916, 95.619, 22.331), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 6203, " CB " at (59.532, 94.413, 25.028), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 6204, " CG " at (58.255, 93.666, 25.433), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 6205, " ND2" at (57.888, 93.741, 26.691), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 6206, "1HD2" at (58.416, 94.277, 27.380), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 6207, "2HD2" at (57.039, 93.244, 26.960), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 6208, " OD1" at (57.627, 93.029, 24.614), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 6209, " N  " at (62.460, 94.578, 23.585), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 6210, " HN " at (62.654, 93.829, 24.250), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 6211, " CA " at (63.554, 95.411, 23.100), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 6212, " C  " at (63.813, 95.091, 21.621), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 6213, " O  " at (63.965, 96.005, 20.791), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 6214, " CB " at (64.855, 95.218, 23.947), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 6215, " CG1" at (64.762, 95.947, 25.291), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 6216, " CG2" at (66.099, 95.690, 23.194), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 6217, " CD1" at (65.819, 95.490, 26.282), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 6218, " N  " at (63.852, 93.809, 21.273), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 6219, " HN " at (63.694, 93.081, 21.969), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 6220, " CA " at (64.121, 93.457, 19.892), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 6221, " C  " at (63.047, 94.065, 18.988), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 6222, " O  " at (63.352, 94.644, 17.955), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 6223, " CB " at (64.191, 91.949, 19.739), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 6224, " CG " at (64.702, 91.477, 18.389), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 6225, " CD " at (64.860, 89.957, 18.335), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 6226, " NE " at (65.765, 89.546, 17.261), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 6227, " HE " at (66.767, 89.584, 17.448), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 6228, " CZ " at (65.376, 89.122, 16.046), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 6229, " NH1" at (64.077, 89.037, 15.724), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 6230, "1HH1" at (63.369, 89.297, 16.410), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 6231, "2HH1" at (63.782, 88.715, 14.802), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 6232, " NH2" at (66.303, 88.782, 15.148), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 6233, "1HH2" at (67.291, 88.847, 15.393), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 6234, "2HH2" at (66.008, 88.460, 14.226), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 6235, " N  " at (61.783, 93.970, 19.412), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 6236, " HN " at (61.579, 93.522, 20.305), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 6237, " CA " at (60.684, 94.509, 18.596), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 6238, " C  " at (60.605, 96.051, 18.485), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 6239, " O  " at (59.940, 96.554, 17.578), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 6240, " CB " at (59.332, 93.966, 19.080), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 6241, " CG " at (59.233, 92.457, 19.168), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 6242, " CD " at (59.183, 91.804, 17.817), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 6243, " NE2" at (60.322, 91.332, 17.341), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 6244, "1HE2" at (61.204, 91.394, 17.850), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 6245, "2HE2" at (60.288, 90.888, 16.423), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 6246, " OE1" at (58.122, 91.729, 17.204), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 6247, " N  " at (61.257, 96.805, 19.373), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 6248, " HN " at (61.953, 96.387, 19.990), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 6249, " CA " at (60.962, 98.250, 19.454), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 6250, " C  " at (62.123, 99.227, 19.610), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 6251, " O  " at (61.928, 100.452, 19.519), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 6252, " CB " at (60.006, 98.520, 20.605), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 6253, " CG2" at (58.762, 97.574, 20.555), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 6254, " OG1" at (60.676, 98.212, 21.842), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 6255, " HG1" at (60.079, 98.381, 22.561), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 6256, " N  " at (63.308, 98.717, 19.939), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 6257, " HN " at (63.386, 97.736, 20.206), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 6258, " CA " at (64.485, 99.560, 19.917), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 6259, " C  " at (64.744, 99.822, 18.431), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 6260, " O  " at (64.648, 98.907, 17.553), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 6261, " CB " at (65.687, 98.873, 20.533), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 6262, " OG " at (66.060, 97.823, 19.671), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 6263, " HG " at (66.814, 97.392, 20.057), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 6264, " N  " at (65.041, 101.075, 18.141), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 6265, " HN " at (65.100, 101.776, 18.880), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 6266, " CA " at (65.280, 101.440, 16.770), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 6267, " C  " at (66.785, 101.684, 16.666), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 6268, " O  " at (67.271, 102.759, 16.949), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 6269, " CB " at (64.412, 102.624, 16.424), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 6270, " CG " at (62.948, 102.375, 16.750), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 6271, " CD " at (62.014, 102.457, 15.570), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 6272, " NE " at (62.673, 103.008, 14.376), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 6273, " HE " at (63.561, 102.595, 14.092), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 6274, " CZ " at (62.190, 104.012, 13.636), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 6275, " NH1" at (61.031, 104.574, 13.960), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 6276, "1HH1" at (60.663, 105.340, 13.396), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 6277, "2HH1" at (60.514, 104.230, 14.769), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 6278, " NH2" at (62.866, 104.462, 12.578), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 6279, "1HH2" at (62.498, 105.228, 12.014), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 6280, "2HH2" at (63.756, 104.030, 12.329), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 6281, " N  " at (67.513, 100.643, 16.306), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 6282, " CA " at (68.981, 100.667, 16.322), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 6283, " C  " at (69.597, 101.707, 15.374), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 6284, " O  " at (70.748, 102.078, 15.613), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 6285, " CB " at (69.370, 99.237, 15.916), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 6286, " CG " at (68.163, 98.689, 15.188), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 6287, " CD " at (66.983, 99.346, 15.837), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 6288, " N  " at (68.862, 102.168, 14.354), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 6289, " HN " at (67.939, 101.775, 14.169), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 6290, " CA " at (69.386, 103.232, 13.511), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 6291, " C  " at (69.002, 104.650, 13.971), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 6292, " O  " at (69.393, 105.620, 13.342), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 6293, " CB " at (69.052, 102.987, 12.031), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 6294, " CG " at (67.565, 103.076, 11.724), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 6295, " OD1" at (66.747, 103.008, 12.679), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 6296, " OD2" at (67.094, 103.180, 10.546), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 6297, " N  " at (68.251, 104.763, 15.065), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 6298, " HN " at (68.039, 103.923, 15.604), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 6299, " CA " at (67.716, 106.054, 15.526), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 6300, " C  " at (68.412, 106.522, 16.799), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 6301, " O  " at (68.321, 105.872, 17.862), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 6302, " CB " at (66.188, 105.970, 15.767), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 6303, " CG1" at (65.633, 107.274, 16.315), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 6304, " CG2" at (65.453, 105.559, 14.470), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 6305, " N  " at (69.132, 107.634, 16.699), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 6306, " HN " at (69.182, 108.120, 15.804), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 6307, " CA " at (69.860, 108.177, 17.860), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 6308, " C  " at (68.815, 108.595, 18.913), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 6309, " O  " at (67.849, 109.276, 18.568), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 6310, " CB " at (70.778, 109.364, 17.433), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 6311, " CG1" at (71.535, 109.956, 18.639), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 6312, " CG2" at (70.002, 110.419, 16.654), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 6313, " CD1" at (72.537, 110.990, 18.289), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 6314, " N  " at (68.976, 108.146, 20.168), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 6315, " CA " at (67.945, 108.333, 21.205), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 6316, " C  " at (67.965, 109.758, 21.789), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 6317, " O  " at (68.037, 109.961, 23.004), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 6318, " CB " at (68.333, 107.318, 22.279), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 6319, " CG " at (69.831, 107.244, 22.186), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 6320, " CD " at (70.132, 107.391, 20.692), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 6321, " N  " at (67.903, 110.726, 20.895), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 6322, " HN " at (67.881, 110.473, 19.907), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 6323, " CA " at (67.865, 112.128, 21.246), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 6324, " C  " at (66.543, 112.428, 21.966), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 6325, " O  " at (65.513, 111.861, 21.608), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 6326, " CB " at (67.971, 112.940, 19.926), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 6327, " CG2" at (67.068, 114.129, 19.947), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 6328, " OG1" at (69.285, 113.516, 19.816), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 6329, " HG1" at (69.860, 112.760, 19.803), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 6330, " N  " at (66.549, 113.322, 22.953), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 6331, " HN " at (67.431, 113.695, 23.304), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 6332, " CA " at (65.282, 113.763, 23.527), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 6333, " C  " at (65.232, 115.290, 23.542), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 6334, " O  " at (66.239, 115.940, 23.848), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 6335, " CB " at (65.064, 113.176, 24.931), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 6336, " CG " at (64.267, 111.847, 24.978), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 6337, " CD " at (63.532, 111.654, 26.310), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 6338, " NE2" at (62.491, 112.470, 26.541), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 6339, "1HE2" at (62.002, 112.342, 27.427), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 6340, "2HE2" at (62.180, 113.172, 25.870), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 6341, " OE1" at (63.910, 110.801, 27.126), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 6342, " N  " at (64.056, 115.836, 23.203), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 6343, " HN " at (63.263, 115.210, 23.063), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 6344, " CA " at (63.831, 117.283, 23.018), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 6345, " C  " at (65.060, 118.103, 22.549), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 6346, " O  " at (65.545, 118.963, 23.285), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 6347, " CB " at (63.157, 117.928, 24.255), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 6348, " CG " at (63.386, 117.214, 25.622), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 6349, " CD " at (64.756, 117.494, 26.249), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 6350, " NE " at (64.845, 117.214, 27.688), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 6351, " HE " at (64.366, 117.854, 28.322), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 6352, " CZ " at (65.504, 116.187, 28.231), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 6353, " NH1" at (66.140, 115.289, 27.469), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 6354, "1HH1" at (66.643, 114.505, 27.884), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 6355, "2HH1" at (66.121, 115.386, 26.454), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 6356, " NH2" at (65.529, 116.061, 29.550), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 6357, "1HH2" at (66.032, 115.277, 29.965), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 6358, "2HH2" at (65.044, 116.745, 30.131), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 6359, " N  " at (65.557, 117.804, 21.340), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 6360, " HN " at (65.175, 116.994, 20.852), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 6361, " CA " at (66.629, 118.580, 20.670), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 6362, " C  " at (67.913, 118.737, 21.527), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 6363, " O  " at (68.598, 119.783, 21.486), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 6364, " CB " at (66.080, 119.954, 20.175), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 6365, " CG " at (67.079, 120.739, 19.271), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 6366, " OD1" at (68.056, 120.146, 18.750), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 6367, " OD2" at (66.953, 121.972, 19.027), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 6368, " N  " at (68.224, 117.701, 22.299), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 6369, " HN " at (67.637, 116.867, 22.269), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 6370, " CA " at (69.388, 117.721, 23.194), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 6371, " C  " at (70.339, 116.591, 22.844), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 6372, " O  " at (69.869, 115.510, 22.468), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 6373, " CB " at (68.961, 117.585, 24.663), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 6374, " CG " at (68.353, 118.845, 25.285), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 6375, " CD " at (68.233, 118.780, 26.814), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 6376, " NE " at (67.469, 119.904, 27.357), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 6377, " HE " at (66.455, 119.809, 27.406), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 6378, " CZ " at (68.013, 121.054, 27.796), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 6379, " NH1" at (69.338, 121.234, 27.777), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 6380, "1HH1" at (69.750, 122.106, 28.110), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 6381, "2HH1" at (69.937, 120.489, 27.422), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 6382, " NH2" at (67.230, 122.027, 28.260), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 6383, "1HH2" at (67.642, 122.899, 28.593), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 6384, "2HH2" at (66.219, 121.890, 28.274), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 6385, " N  " at (71.658, 116.815, 22.976), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 6386, " CA " at (72.621, 115.783, 22.573), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 6387, " C  " at (72.542, 114.566, 23.478), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 6388, " O  " at (72.294, 114.729, 24.650), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 6389, " CB " at (73.982, 116.479, 22.711), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 6390, " CG " at (73.755, 117.637, 23.634), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 6391, " CD " at (72.326, 118.033, 23.496), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 6392, " N  " at (72.713, 113.371, 22.924), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 6393, " HN " at (72.672, 113.291, 21.908), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 6394, " CA " at (72.957, 112.169, 23.714), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 6395, " C  " at (74.346, 112.279, 24.340), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 6396, " O  " at (75.342, 112.351, 23.621), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 6397, " CB " at (72.916, 110.889, 22.820), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 6398, " CG1" at (73.295, 109.650, 23.629), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 6399, " CG2" at (71.541, 110.714, 22.195), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 6400, " N  " at (74.402, 112.298, 25.672), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 6401, " HN " at (73.528, 112.307, 26.198), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 6402, " CA " at (75.665, 112.306, 26.410), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 6403, " C  " at (76.333, 110.924, 26.432), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 6404, " O  " at (75.841, 109.994, 27.074), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 6405, " CB " at (75.450, 112.813, 27.833), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 6406, " N  " at (77.464, 110.791, 25.742), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 6407, " HN " at (77.838, 111.594, 25.236), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 6408, " CA " at (78.182, 109.515, 25.695), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 6409, " C  " at (79.474, 109.609, 26.497), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 6410, " O  " at (80.253, 110.519, 26.278), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 6411, " CB " at (78.493, 109.111, 24.228), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 6412, " CG1" at (79.304, 107.805, 24.135), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 6413, " CG2" at (77.203, 109.012, 23.414), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 6414, " N  " at (79.675, 108.721, 27.464), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 6415, " HN " at (78.933, 108.061, 27.698), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 6416, " CA " at (80.932, 108.670, 28.198), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 6417, " C  " at (81.780, 107.584, 27.617), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 6418, " O  " at (81.278, 106.494, 27.352), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 6419, " CB " at (80.722, 108.369, 29.680), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 6420, " OG " at (79.786, 109.274, 30.225), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 6421, " HG " at (79.655, 109.087, 31.147), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 6422, " N  " at (83.048, 107.889, 27.397), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 6423, " HN " at (83.359, 108.842, 27.583), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 6424, " CA " at (84.028, 106.915, 26.897), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 6425, " C  " at (85.264, 106.933, 27.752), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 6426, " O  " at (85.708, 108.002, 28.229), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 6427, " CB " at (84.554, 107.236, 25.464), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 6428, " CG1" at (85.037, 105.946, 24.774), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 6429, " CG2" at (83.538, 107.972, 24.631), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 6430, " N  " at (85.843, 105.757, 27.922), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 6431, " HN " at (85.458, 104.942, 27.444), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 6432, " CA " at (87.010, 105.590, 28.768), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 6433, " C  " at (87.688, 104.352, 28.246), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 6434, " O  " at (87.002, 103.349, 27.953), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 6435, " CB " at (86.562, 105.401, 30.207), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 6436, " OG " at (87.651, 105.010, 31.031), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 6437, " HG " at (87.371, 104.892, 31.931), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 6438, " N  " at (89.009, 104.437, 28.042), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 6439, " HN " at (89.491, 105.309, 28.260), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 6440, " CA " at (89.779, 103.305, 27.512), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 6441, " C  " at (90.523, 102.694, 28.657), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 6442, " O  " at (91.237, 103.390, 29.391), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 6443, " CB " at (90.747, 103.727, 26.408), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 6444, " CG " at (90.198, 104.508, 25.206), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 6445, " CD1" at (91.234, 104.637, 24.072), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 6446, " CD2" at (88.905, 103.911, 24.667), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 6447, " N  " at (90.327, 101.400, 28.865), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 6448, " HN " at (89.635, 100.892, 28.314), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 6449, " CA " at (91.112, 100.699, 29.895), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 6450, " C  " at (92.124, 99.874, 29.163), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 6451, " O  " at (91.754, 98.933, 28.498), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 6452, " CB " at (90.240, 99.796, 30.741), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 6453, " CG " at (88.949, 100.393, 31.181), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 6454, " CD " at (89.135, 101.331, 32.374), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 6455, " CE " at (87.875, 102.204, 32.554), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 6456, " NZ " at (88.037, 103.280, 33.583), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 6457, " HZ1" at (87.204, 103.857, 33.702), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 6458, " HZ2" at (88.851, 103.859, 33.376), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 6459, " HZ3" at (88.333, 102.885, 34.475), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 6460, " N  " at (93.395, 100.242, 29.268), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 6461, " HN " at (93.639, 101.010, 29.893), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 6462, " CA " at (94.446, 99.581, 28.518), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 6463, " C  " at (94.796, 98.232, 29.113), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 6464, " O  " at (95.004, 98.106, 30.321), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 6465, " CB " at (95.660, 100.501, 28.367), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 6466, " CG " at (95.377, 101.705, 27.515), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 6467, " CD1" at (95.386, 101.599, 26.138), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 6468, " CD2" at (95.051, 102.942, 28.089), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 6469, " CE1" at (95.118, 102.711, 25.345), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 6470, " CE2" at (94.762, 104.061, 27.281), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 6471, " CZ " at (94.805, 103.935, 25.917), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 6472, " N  " at (94.849, 97.218, 28.262), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 6473, " HN " at (94.684, 97.390, 27.270), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 6474, " CA " at (95.138, 95.863, 28.713), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 6475, " C  " at (96.531, 95.436, 28.267), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 6476, " O  " at (97.276, 94.808, 29.017), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 6477, " CB " at (94.064, 94.875, 28.158), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 6478, " CG1" at (92.643, 95.455, 28.324), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 6479, " CG2" at (94.266, 93.435, 28.750), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 6480, " CD1" at (92.262, 95.800, 29.782), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 6481, " N  " at (96.880, 95.780, 27.034), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 6482, " HN " at (96.223, 96.296, 26.448), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 6483, " CA " at (98.183, 95.431, 26.512), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 6484, " C  " at (98.651, 96.373, 25.429), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 6485, " O  " at (97.826, 97.028, 24.771), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 6486, " CB " at (98.201, 93.997, 25.989), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 6487, " CG " at (99.374, 93.208, 26.531), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 6488, " ND2" at (99.066, 92.032, 27.067), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 6489, "1HD2" at (99.856, 91.500, 27.432), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 6490, "2HD2" at (98.112, 91.673, 27.103), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 6491, " OD1" at (100.568, 93.658, 26.486), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 6492, " N  " at (99.974, 96.472, 25.304), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 6493, " HN " at (100.562, 96.055, 26.025), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 6494, " CA " at (100.619, 97.145, 24.190), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 6495, " C  " at (101.473, 96.063, 23.536), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 6496, " O  " at (102.383, 95.526, 24.157), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 6497, " CB " at (101.482, 98.318, 24.696), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 6498, " CG1" at (100.604, 99.366, 25.395), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 6499, " CG2" at (102.224, 98.928, 23.545), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 6500, " CD1" at (101.334, 100.284, 26.336), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 6501, " N  " at (101.150, 95.716, 22.302), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 6502, " HN " at (100.516, 96.304, 21.761), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 6503, " CA " at (101.690, 94.504, 21.711), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 6504, " C  " at (102.890, 94.779, 20.815), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 6505, " O  " at (103.757, 93.904, 20.637), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 6506, " CB " at (100.616, 93.784, 20.901), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 6507, " CG " at (99.372, 93.483, 21.752), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 6508, " CD1" at (98.220, 93.044, 20.902), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 6509, " CD2" at (99.677, 92.435, 22.819), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 6510, " N  " at (102.911, 95.965, 20.228), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 6511, " HN " at (102.188, 96.648, 20.455), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 6512, " CA " at (103.933, 96.310, 19.277), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 6513, " C  " at (104.038, 97.824, 19.209), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 6514, " O  " at (103.037, 98.532, 19.225), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 6515, " CB " at (103.628, 95.744, 17.892), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 6516, " CG " at (104.796, 95.915, 16.913), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 6517, " CD " at (104.543, 95.326, 15.531), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 6518, " OE1" at (103.372, 95.323, 15.064), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 6519, " OE2" at (105.536, 94.862, 14.917), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 6520, " N  " at (105.272, 98.298, 19.123), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 6521, " HN " at (106.047, 97.637, 19.072), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 6522, " CA " at (105.564, 99.703, 19.099), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 6523, " C  " at (106.694, 99.844, 18.088), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 6524, " O  " at (107.583, 99.001, 18.020), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 6525, " CB " at (105.973, 100.150, 20.516), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 6526, " CG1" at (106.982, 101.256, 20.493), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 6527, " CG2" at (104.758, 100.541, 21.338), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 6528, " N  " at (106.641, 100.897, 17.278), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 6529, " HN " at (105.867, 101.555, 17.368), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 6530, " CA " at (107.660, 101.134, 16.266), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 6531, " C  " at (108.003, 102.599, 16.298), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 6532, " O  " at (107.196, 103.447, 15.927), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 6533, " CB " at (107.158, 100.717, 14.887), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 6534, " CG " at (108.262, 100.699, 13.843), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 6535, " ND2" at (108.232, 99.712, 12.942), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 6536, "1HD2" at (108.973, 99.700, 12.241), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 6537, "2HD2" at (107.519, 98.982, 12.950), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 6538, " OD1" at (109.114, 101.571, 13.833), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 6539, " N  " at (109.205, 102.898, 16.777), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 6540, " HN " at (109.850, 102.141, 17.004), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 6541, " CA " at (109.627, 104.267, 16.986), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 6542, " C  " at (110.013, 104.926, 15.653), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 6543, " O  " at (110.016, 106.155, 15.544), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 6544, " CB " at (110.788, 104.329, 18.008), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 6545, " CG " at (110.775, 105.578, 18.896), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 6546, " CD " at (111.952, 105.675, 19.876), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 6547, " OE1" at (112.440, 104.628, 20.376), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 6548, " OE2" at (112.390, 106.821, 20.163), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 6549, " N  " at (110.341, 104.112, 14.646), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 6550, " HN " at (110.375, 103.105, 14.806), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 6551, " CA " at (110.653, 104.641, 13.313), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 6552, " C  " at (109.361, 105.110, 12.637), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 6553, " O  " at (109.292, 106.239, 12.172), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 6554, " CB " at (111.414, 103.593, 12.424), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 6555, " CG1" at (112.702, 103.087, 13.108), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 6556, " CG2" at (111.724, 104.165, 11.013), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 6557, " CD1" at (113.714, 104.175, 13.491), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 6558, " N  " at (108.328, 104.256, 12.626), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 6559, " HN " at (108.404, 103.370, 13.125), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 6560, " CA " at (107.094, 104.575, 11.910), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 6561, " C  " at (106.100, 105.353, 12.748), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 6562, " O  " at (105.167, 105.908, 12.213), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 6563, " CB " at (106.438, 103.328, 11.302), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 6564, " CG2" at (107.445, 102.538, 10.454), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 6565, " OG1" at (106.091, 102.401, 12.342), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 6566, " HG1" at (105.468, 102.890, 12.867), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 6567, " N  " at (106.335, 105.435, 14.055), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 6568, " HN " at (107.206, 105.050, 14.420), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 6569, " CA " at (105.398, 106.053, 14.990), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 6570, " C  " at (104.041, 105.352, 14.988), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 6571, " O  " at (103.010, 105.964, 14.788), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 6572, " CB " at (105.255, 107.548, 14.693), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 6573, " CG " at (106.219, 108.381, 15.473), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 6574, " ND2" at (106.654, 109.475, 14.882), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 6575, "1HD2" at (107.312, 110.044, 15.415), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 6576, "2HD2" at (106.358, 109.752, 13.946), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 6577, " OD1" at (106.576, 108.047, 16.601), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 6578, " N  " at (104.064, 104.041, 15.183), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 6579, " HN " at (104.962, 103.591, 15.361), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 6580, " CA " at (102.863, 103.213, 15.154), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 6581, " C  " at (102.896, 102.331, 16.374), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 6582, " O  " at (103.971, 101.906, 16.811), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 6583, " CB " at (102.796, 102.363, 13.870), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 6584, " CG " at (102.601, 103.198, 12.589), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 6585, " CD " at (102.702, 102.388, 11.289), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 6586, " OE1" at (102.472, 101.153, 11.350), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 6587, " OE2" at (103.006, 102.973, 10.198), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 6588, " N  " at (101.716, 102.077, 16.931), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 6589, " HN " at (100.886, 102.503, 16.518), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 6590, " CA " at (101.542, 101.221, 18.102), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 6591, " C  " at (100.338, 100.319, 17.887), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 6592, " O  " at (99.344, 100.728, 17.281), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 6593, " CB " at (101.366, 102.034, 19.468), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 6594, " CG1" at (102.496, 102.967, 19.703), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 6595, " CG2" at (100.073, 102.828, 19.500), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 6596, " N  " at (100.454, 99.092, 18.383), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 6597, " HN " at (101.343, 98.835, 18.812), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 6598, " CA " at (99.403, 98.092, 18.357), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 6599, " C  " at (98.961, 97.897, 19.825), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 6600, " O  " at (99.798, 97.615, 20.700), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 6601, " CB " at (100.013, 96.804, 17.796), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 6602, " CG " at (98.986, 95.811, 17.263), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 6603, " OD1" at (97.767, 95.953, 17.530), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 6604, " OD2" at (99.344, 94.829, 16.554), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 6605, " N  " at (97.669, 98.099, 20.107), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 6606, " HN " at (97.003, 98.208, 19.342), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 6607, " CA " at (97.192, 98.167, 21.485), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 6608, " C  " at (95.883, 97.397, 21.662), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 6609, " O  " at (95.084, 97.312, 20.730), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 6610, " CB " at (96.970, 99.637, 21.926), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 6611, " CG1" at (96.525, 99.687, 23.360), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 6612, " CG2" at (98.224, 100.429, 21.808), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 6613, " N  " at (95.672, 96.866, 22.872), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 6614, " HN " at (96.430, 96.904, 23.553), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 6615, " CA " at (94.405, 96.229, 23.276), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 6616, " C  " at (93.829, 97.031, 24.434), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 6617, " O  " at (94.513, 97.255, 25.429), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 6618, " CB " at (94.606, 94.753, 23.722), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 6619, " CG1" at (93.258, 94.113, 24.176), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 6620, " CG2" at (95.258, 93.947, 22.615), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 6621, " N  " at (92.584, 97.497, 24.301), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 6622, " HN " at (92.071, 97.328, 23.436), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 6623, " CA " at (91.952, 98.246, 25.382), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 6624, " C  " at (90.480, 97.822, 25.514), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 6625, " O  " at (89.899, 97.372, 24.539), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 6626, " CB " at (92.050, 99.746, 25.094), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 6627, " CG " at (91.631, 100.121, 23.697), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 6628, " CD1" at (92.550, 100.099, 22.646), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 6629, " CD2" at (90.290, 100.449, 23.403), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 6630, " CE1" at (92.146, 100.439, 21.303), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 6631, " CE2" at (89.903, 100.788, 22.092), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 6632, " CZ " at (90.818, 100.789, 21.045), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 6633, " N  " at (89.891, 97.972, 26.713), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 6634, " HN " at (90.470, 98.146, 27.535), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 6635, " CA " at (88.446, 97.891, 26.865), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 6636, " C  " at (87.892, 99.296, 26.640), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 6637, " O  " at (88.280, 100.236, 27.332), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 6638, " CB " at (88.066, 97.386, 28.243), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 6639, " CG " at (88.614, 96.014, 28.564), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 6640, " CD1" at (89.150, 95.121, 27.682), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 6641, " CD2" at (88.677, 95.402, 29.841), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 6642, " CE2" at (89.294, 94.140, 29.678), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 6643, " CE3" at (88.334, 95.810, 31.130), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 6644, " NE1" at (89.575, 93.995, 28.350), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 6645, " HE1" at (90.026, 93.186, 27.923), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 6646, " CZ2" at (89.516, 93.257, 30.743), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 6647, " CZ3" at (88.563, 94.926, 32.198), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 6648, " CH2" at (89.138, 93.664, 31.987), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 6649, " N  " at (87.002, 99.442, 25.665), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 6650, " HN " at (86.725, 98.634, 25.108), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 6651, " CA " at (86.422, 100.740, 25.387), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 6652, " C  " at (85.086, 100.873, 26.142), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 6653, " O  " at (84.017, 100.594, 25.611), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 6654, " CB " at (86.228, 100.893, 23.889), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 6655, " CG " at (85.723, 102.279, 23.444), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 6656, " CD " at (85.859, 102.435, 21.948), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 6657, " NE2" at (84.739, 102.558, 21.250), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 6658, "1HE2" at (83.814, 102.583, 21.680), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 6659, "2HE2" at (84.831, 102.663, 20.240), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 6660, " OE1" at (86.983, 102.404, 21.425), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 6661, " N  " at (85.167, 101.303, 27.390), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 6662, " HN " at (86.082, 101.537, 27.775), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 6663, " CA " at (83.981, 101.453, 28.235), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 6664, " C  " at (83.115, 102.622, 27.754), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 6665, " O  " at (83.530, 103.778, 27.816), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 6666, " CB " at (84.394, 101.704, 29.667), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 6667, " CG " at (83.224, 101.962, 30.595), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 6668, " CD " at (83.626, 102.123, 32.088), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 6669, " NE2" at (82.675, 102.563, 32.880), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 6670, "1HE2" at (82.939, 102.669, 33.860), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 6671, "2HE2" at (81.743, 102.796, 32.537), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 6672, " OE1" at (84.754, 101.841, 32.503), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 6673, " N  " at (81.930, 102.284, 27.258), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 6674, " HN " at (81.623, 101.315, 27.345), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 6675, " CA " at (81.055, 103.232, 26.599), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 6676, " C  " at (79.684, 103.204, 27.241), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 6677, " O  " at (79.077, 102.146, 27.433), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 6678, " CB " at (80.929, 102.913, 25.098), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 6679, " CG2" at (80.591, 104.181, 24.315), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 6680, " OG1" at (82.215, 102.557, 24.590), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 6681, " HG1" at (82.425, 101.769, 25.077), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 6682, " N  " at (79.202, 104.388, 27.576), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 6683, " HN " at (79.670, 105.230, 27.240), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 6684, " CA " at (78.036, 104.516, 28.402), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 6685, " C  " at (77.153, 105.640, 27.869), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 6686, " O  " at (77.661, 106.654, 27.387), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 6687, " CB " at (78.551, 104.776, 29.808), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 6688, " CG2" at (77.889, 105.969, 30.493), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 6689, " OG1" at (78.297, 103.620, 30.628), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 6690, " HG1" at (78.619, 103.783, 31.507), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 6691, " N  " at (75.841, 105.422, 27.911), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 6692, " HN " at (75.507, 104.532, 28.282), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 6693, " CA " at (74.857, 106.400, 27.450), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 6694, " C  " at (73.483, 105.938, 27.896), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 6695, " O  " at (73.284, 104.801, 28.332), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 6696, " CB " at (74.884, 106.607, 25.902), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 6697, " CG " at (74.357, 105.416, 25.124), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 6698, " CD1" at (73.084, 105.232, 24.677), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 6699, " CD2" at (75.093, 104.250, 24.716), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 6700, " CE2" at (74.199, 103.404, 24.042), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 6701, " CE3" at (76.421, 103.826, 24.873), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 6702, " NE1" at (72.977, 104.027, 24.023), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 6703, " HE1" at (72.129, 103.657, 23.594), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 6704, " CZ2" at (74.587, 102.163, 23.514), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 6705, " CZ3" at (76.802, 102.595, 24.347), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 6706, " CH2" at (75.889, 101.779, 23.696), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 6707, " N  " at (72.525, 106.805, 27.703), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 6708, " HN " at (72.754, 107.693, 27.257), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 6709, " CA " at (71.164, 106.563, 28.090), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 6710, " C  " at (70.262, 106.484, 26.863), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 6711, " O  " at (70.363, 107.308, 25.965), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 6712, " CB " at (70.722, 107.705, 29.008), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 6713, " OG " at (69.329, 107.912, 28.851), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 6714, " HG " at (69.055, 108.621, 29.421), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 6715, " N  " at (69.406, 105.463, 26.819), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 6716, " HN " at (69.473, 104.725, 27.520), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 6717, " CA " at (68.370, 105.378, 25.785), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 6718, " C  " at (67.060, 105.012, 26.467), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 6719, " O  " at (66.783, 103.847, 26.761), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 6720, " CB " at (68.765, 104.337, 24.741), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 6721, " CG " at (67.792, 104.262, 23.563), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 6722, " OD1" at (66.616, 104.699, 23.667), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 6723, " OD2" at (68.138, 103.765, 22.479), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 6724, " N  " at (66.248, 106.017, 26.722), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 6725, " HN " at (66.504, 106.954, 26.411), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 6726, " CA " at (64.994, 105.825, 27.437), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 6727, " C  " at (63.928, 105.029, 26.672), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 6728, " O  " at (63.012, 104.486, 27.304), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 6729, " CB " at (64.469, 107.170, 27.975), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 6730, " CG " at (65.540, 107.950, 28.751), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 6731, " CD " at (65.343, 108.010, 30.290), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 6732, " NE " at (66.587, 108.359, 30.997), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 6733, " HE " at (67.397, 107.756, 30.850), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 6734, " CZ " at (66.738, 109.408, 31.819), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 6735, " NH1" at (65.717, 110.227, 32.077), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 6736, "1HH1" at (65.832, 111.025, 32.702), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 6737, "2HH1" at (64.814, 110.048, 31.638), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 6738, " NH2" at (67.917, 109.641, 32.392), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 6739, "1HH2" at (68.032, 110.439, 33.017), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 6740, "2HH2" at (68.698, 109.015, 32.195), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 6741, " N  " at (64.059, 104.885, 25.344), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 6742, " HN " at (64.775, 105.410, 24.842), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 6743, " CA " at (63.161, 103.960, 24.604), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 6744, " C  " at (63.355, 102.479, 24.997), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 6745, " O  " at (62.507, 101.642, 24.717), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 6746, " CB " at (63.273, 104.106, 23.074), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 6747, " CG2" at (63.263, 105.593, 22.650), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 6748, " OG1" at (64.544, 103.597, 22.630), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 6749, " HG1" at (64.550, 102.683, 22.890), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 6750, " N  " at (64.458, 102.179, 25.673), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 6751, " HN " at (65.121, 102.923, 25.891), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 6752, " CA " at (64.753, 100.813, 26.116), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 6753, " C  " at (64.117, 100.484, 27.462), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 6754, " O  " at (63.983, 99.310, 27.799), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 6755, " CB " at (66.257, 100.593, 26.199), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 6756, " CG " at (67.082, 100.741, 24.916), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 6757, " CD1" at (68.507, 100.473, 25.234), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 6758, " CD2" at (66.647, 99.810, 23.782), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 6759, " N  " at (63.705, 101.523, 28.190), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 6760, " HN " at (63.654, 102.435, 27.737), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 6761, " CA " at (63.324, 101.433, 29.593), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 6762, " C  " at (62.101, 100.574, 29.797), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 6763, " O  " at (61.237, 100.533, 28.950), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 6764, " CB " at (63.081, 102.867, 30.180), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 6765, " N  " at (62.026, 99.910, 30.941), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 6766, " HN " at (62.811, 99.961, 31.590), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 6767, " CA " at (60.864, 99.110, 31.306), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 6768, " C  " at (60.683, 99.197, 32.805), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 6769, " O  " at (61.635, 99.512, 33.542), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 6770, " CB " at (61.037, 97.644, 30.867), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 6771, " CG " at (62.108, 96.864, 31.634), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 6772, " CD1" at (61.933, 96.101, 32.763), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 6773, " CD2" at (63.505, 96.762, 31.306), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 6774, " CE2" at (64.105, 95.911, 32.269), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 6775, " CE3" at (64.303, 97.282, 30.289), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 6776, " NE1" at (63.126, 95.533, 33.146), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 6777, " HE1" at (63.259, 94.927, 33.955), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 6778, " CZ2" at (65.469, 95.619, 32.270), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 6779, " CZ3" at (65.666, 96.974, 30.272), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 6780, " CH2" at (66.235, 96.153, 31.265), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 6781, " N  " at (59.461, 98.920, 33.248), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 6782, " HN " at (58.734, 98.691, 32.570), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 6783, " CA " at (59.121, 98.931, 34.657), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 6784, " C  " at (59.641, 97.634, 35.272), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 6785, " O  " at (59.165, 96.546, 34.952), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 6786, " CB " at (57.598, 99.056, 34.825), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 6787, " CG " at (57.182, 99.295, 36.264), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 6788, " ND2" at (56.040, 99.973, 36.443), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 6789, "1HD2" at (55.760, 100.134, 37.411), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 6790, "2HD2" at (55.483, 100.327, 35.666), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 6791, " OD1" at (57.859, 98.865, 37.208), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 6792, " N  " at (60.622, 97.739, 36.152), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 6793, " HN " at (60.934, 98.658, 36.466), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 6794, " CA " at (61.254, 96.534, 36.669), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 6795, " C  " at (60.803, 96.283, 38.096), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 6796, " O  " at (61.467, 95.549, 38.832), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 6797, " CB " at (62.782, 96.637, 36.572), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 6798, " OG " at (63.258, 97.804, 37.215), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 6799, " HG " at (64.204, 97.868, 37.155), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 6800, " N  " at (59.674, 96.887, 38.477), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 6801, " HN " at (59.165, 97.461, 37.804), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 6802, " CA " at (59.149, 96.746, 39.835), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 6803, " C  " at (58.846, 95.295, 40.255), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 6804, " O  " at (58.845, 94.972, 41.450), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 6805, " CB " at (57.930, 97.652, 40.063), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 6806, " OG " at (56.715, 96.965, 39.804), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 6807, " HG " at (55.961, 97.525, 39.945), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 6808, " N  " at (58.602, 94.426, 39.279), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 6809, " HN " at (58.506, 94.759, 38.320), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 6810, " CA " at (58.471, 93.005, 39.565), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 6811, " C  " at (59.336, 92.186, 38.614), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 6812, " O  " at (59.038, 91.011, 38.345), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 6813, " CB " at (56.998, 92.567, 39.497), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 6814, " CG " at (56.169, 93.001, 40.676), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 6815, " CD2" at (55.825, 92.349, 41.813), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 6816, " ND1" at (55.572, 94.242, 40.755), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 6817, " HD1" at (55.640, 94.974, 40.048), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 6818, " CE1" at (54.898, 94.337, 41.887), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 6819, " NE2" at (55.026, 93.198, 42.543), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 6820, " HE2" at (54.601, 92.983, 43.445), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 6821, " N  " at (60.450, 92.780, 38.163), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 6822, " HN " at (60.758, 93.652, 38.593), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 6823, " CA " at (61.233, 92.208, 37.071), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 6824, " C  " at (62.742, 92.391, 37.223), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 6825, " O  " at (63.200, 93.261, 37.973), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 6826, " CB " at (60.785, 92.821, 35.741), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 6827, " OG " at (59.370, 92.787, 35.596), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 6828, " HG " at (59.092, 93.167, 34.771), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 6829, " N  " at (63.523, 91.576, 36.511), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 6830, " CA " at (64.970, 91.790, 36.433), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 6831, " C  " at (65.218, 93.226, 36.016), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 6832, " O  " at (64.454, 93.753, 35.215), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 6833, " CB " at (65.392, 90.841, 35.319), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 6834, " CG " at (64.426, 89.719, 35.420), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 6835, " CD " at (63.105, 90.386, 35.743), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 6836, " N  " at (66.233, 93.868, 36.569), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 6837, " HN " at (66.867, 93.387, 37.207), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 6838, " CA " at (66.429, 95.271, 36.251), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 6839, " C  " at (67.567, 95.518, 35.263), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 6840, " O  " at (67.834, 96.671, 34.914), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 6841, " CB " at (66.553, 96.115, 37.538), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 6842, " CG " at (67.928, 96.059, 38.123), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 6843, " OD1" at (68.502, 94.931, 38.211), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 6844, " OD2" at (68.533, 97.095, 38.505), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 6845, " N  " at (68.190, 94.431, 34.791), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 6846, " HN " at (67.890, 93.516, 35.129), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 6847, " CA " at (69.287, 94.488, 33.809), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 6848, " C  " at (69.268, 93.273, 32.910), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 6849, " O  " at (69.019, 92.167, 33.380), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 6850, " CB " at (70.661, 94.452, 34.507), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 6851, " CG " at (71.085, 95.749, 35.109), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 6852, " CD " at (72.561, 95.798, 35.476), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 6853, " NE2" at (72.847, 96.388, 36.625), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 6854, "1HE2" at (73.836, 96.421, 36.871), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 6855, "2HE2" at (72.130, 96.757, 37.250), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 6856, " OE1" at (73.436, 95.347, 34.713), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 6857, " N  " at (69.584, 93.469, 31.636), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 6858, " HN " at (69.686, 94.422, 31.287), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 6859, " CA " at (69.790, 92.343, 30.719), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 6860, " C  " at (70.973, 92.586, 29.801), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 6861, " O  " at (71.376, 93.756, 29.606), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 6862, " CB " at (68.564, 92.116, 29.825), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 6863, " CG1" at (67.409, 91.560, 30.640), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 6864, " CG2" at (68.196, 93.414, 29.056), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 6865, " N  " at (71.504, 91.502, 29.219), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 6866, " HN " at (71.203, 90.578, 29.528), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 6867, " CA " at (72.504, 91.604, 28.151), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 6868, " C  " at (71.796, 91.554, 26.794), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 6869, " O  " at (70.992, 90.661, 26.552), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 6870, " CB " at (73.519, 90.431, 28.211), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 6871, " OG " at (74.229, 90.369, 29.423), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 6872, " HG " at (74.850, 89.651, 29.460), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 6873, " N  " at (72.130, 92.494, 25.905), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 6874, " HN " at (72.890, 93.134, 26.136), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 6875, " CA " at (71.459, 92.647, 24.622), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 6876, " C  " at (72.479, 92.695, 23.500), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 6877, " O  " at (73.470, 93.396, 23.618), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 6878, " CB " at (70.607, 93.951, 24.624), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 6879, " CG1" at (69.782, 94.134, 23.354), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 6880, " CG2" at (69.707, 93.980, 25.861), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 6881, " N  " at (72.260, 91.940, 22.421), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 6882, " CA " at (73.156, 92.020, 21.267), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 6883, " C  " at (73.150, 93.479, 20.785), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 6884, " O  " at (72.063, 94.073, 20.704), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 6885, " CB " at (72.510, 91.087, 20.230), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 6886, " CG " at (71.534, 90.281, 20.937), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 6887, " CD " at (71.194, 90.940, 22.247), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 6888, " N  " at (74.309, 94.050, 20.482), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 6889, " HN " at (75.182, 93.530, 20.572), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 6890, " CA " at (74.317, 95.471, 20.005), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 6891, " C  " at (73.551, 95.694, 18.701), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 6892, " O  " at (73.116, 96.811, 18.438), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 6893, " CB " at (75.731, 96.055, 19.917), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 6894, " CG1" at (76.562, 95.341, 18.845), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 6895, " CG2" at (76.410, 95.993, 21.274), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 6896, " CD1" at (77.850, 96.117, 18.466), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 6897, " N  " at (73.331, 94.639, 17.913), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 6898, " HN " at (73.724, 93.735, 18.175), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 6899, " CA " at (72.546, 94.740, 16.689), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 6900, " C  " at (71.077, 95.077, 16.970), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 6901, " O  " at (70.345, 95.532, 16.074), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 6902, " CB " at (72.641, 93.441, 15.850), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 6903, " OG " at (71.889, 92.396, 16.460), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 6904, " HG " at (71.947, 91.599, 15.946), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 6905, " N  " at (70.634, 94.846, 18.193), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 6906, " HN " at (71.243, 94.389, 18.871), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 6907, " CA " at (69.291, 95.235, 18.584), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 6908, " C  " at (69.236, 96.651, 19.237), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 6909, " O  " at (68.179, 97.089, 19.667), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 6910, " CB " at (68.698, 94.191, 19.549), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 6911, " OG " at (68.420, 92.960, 18.867), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 6912, " HG " at (68.054, 92.316, 19.462), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 6913, " N  " at (70.366, 97.347, 19.340), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 6914, " HN " at (71.223, 96.978, 18.928), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 6915, " CA " at (70.396, 98.646, 20.042), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 6916, " C  " at (70.978, 99.727, 19.155), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 6917, " O  " at (71.826, 99.448, 18.309), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 6918, " CB " at (71.332, 98.569, 21.255), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 6919, " CG " at (71.086, 97.644, 22.422), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 6920, " CD1" at (72.080, 97.912, 23.533), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 6921, " CD2" at (69.682, 97.856, 22.932), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 6922, " N  " at (70.596, 100.973, 19.383), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 6923, " HN " at (69.749, 101.174, 19.914), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 6924, " CA " at (71.422, 102.050, 18.852), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 6925, " C  " at (72.716, 102.112, 19.657), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 6926, " O  " at (72.694, 102.027, 20.892), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 6927, " CB " at (70.721, 103.390, 18.897), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 6928, " CG " at (71.600, 104.531, 18.414), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 6929, " CD1" at (71.732, 104.975, 17.136), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 6930, " CD2" at (72.455, 105.352, 19.215), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 6931, " CE2" at (73.044, 106.307, 18.356), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 6932, " CE3" at (72.764, 105.394, 20.585), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 6933, " NE1" at (72.600, 106.035, 17.089), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 6934, " HE1" at (72.872, 106.540, 16.246), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 6935, " CZ2" at (73.934, 107.292, 18.806), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 6936, " CZ3" at (73.657, 106.376, 21.044), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 6937, " CH2" at (74.229, 107.322, 20.142), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 6938, " N  " at (73.828, 102.263, 18.953), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 6939, " HN " at (73.755, 102.301, 17.936), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 6940, " CA " at (75.147, 102.378, 19.554), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 6941, " C  " at (75.824, 103.619, 18.941), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 6942, " O  " at (75.638, 103.870, 17.753), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 6943, " CB " at (75.965, 101.082, 19.247), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 6944, " CG1" at (77.448, 101.272, 19.421), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 6945, " CG2" at (75.454, 99.927, 20.098), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 6946, " N  " at (76.567, 104.405, 19.728), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 6947, " CA " at (77.210, 105.612, 19.176), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 6948, " C  " at (78.229, 105.219, 18.097), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 6949, " O  " at (78.907, 104.205, 18.214), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 6950, " CB " at (77.863, 106.307, 20.398), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 6951, " CG " at (77.545, 105.465, 21.604), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 6952, " CD " at (76.805, 104.227, 21.176), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 6953, " N  " at (78.325, 106.033, 17.052), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 6954, " HN " at (77.785, 106.899, 17.051), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 6955, " CA " at (79.175, 105.732, 15.907), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 6956, " C  " at (80.582, 106.314, 16.173), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 6957, " O  " at (81.085, 107.190, 15.422), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 6958, " CB " at (78.553, 106.332, 14.641), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 6959, " CG " at (78.456, 107.859, 14.710), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 6960, " OD1" at (78.330, 108.387, 15.855), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 6961, " OD2" at (78.501, 108.612, 13.699), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 6962, " N  " at (81.197, 105.835, 17.249), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 6963, " HN " at (80.732, 105.125, 17.815), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 6964, " CA " at (82.510, 106.297, 17.636), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 6965, " C  " at (83.606, 105.791, 16.729), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 6966, " O  " at (83.564, 104.667, 16.257), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 6967, " CB " at (82.810, 105.938, 19.084), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 6968, " CG " at (81.874, 106.538, 20.151), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 6969, " CD1" at (82.253, 106.058, 21.530), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 6970, " CD2" at (81.771, 108.072, 20.086), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 6971, " N  " at (84.587, 106.645, 16.456), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 6972, " HN " at (84.515, 107.622, 16.739), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 6973, " CA " at (85.770, 106.166, 15.746), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 6974, " C  " at (87.036, 106.802, 16.330), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 6975, " O  " at (87.010, 107.932, 16.826), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 6976, " CB " at (85.642, 106.427, 14.262), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 6977, " N  " at (88.139, 106.074, 16.282), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 6978, " HN " at (88.078, 105.089, 16.023), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 6979, " CA " at (89.431, 106.649, 16.591), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 6980, " C  " at (89.997, 107.296, 15.352), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 6981, " O  " at (90.203, 106.623, 14.342), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 6982, " CB " at (90.375, 105.584, 17.147), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 6983, " N  " at (90.213, 108.612, 15.413), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 6984, " HN " at (90.068, 109.087, 16.304), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 6985, " CA " at (90.651, 109.412, 14.255), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 6986, " C  " at (92.081, 109.108, 13.770), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 6987, " O  " at (92.398, 109.374, 12.607), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 6988, " CB " at (90.617, 110.897, 14.597), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 6989, " CG " at (89.266, 111.552, 14.505), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 6990, " CD1" at (88.204, 111.133, 15.318), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 6991, " CD2" at (89.043, 112.612, 13.619), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 6992, " CE1" at (86.956, 111.763, 15.235), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 6993, " CE2" at (87.802, 113.237, 13.537), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 6994, " CZ " at (86.780, 112.839, 14.345), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 6995, " OH " at (85.569, 113.484, 14.232), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 6996, " HH " at (84.856, 113.206, 14.795), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 6997, " N  " at (92.945, 108.624, 14.660), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 6998, " HN " at (92.652, 108.503, 15.629), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 6999, " CA " at (94.293, 108.267, 14.274), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 7000, " C  " at (94.515, 106.731, 14.190), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 7001, " O  " at (95.637, 106.264, 14.177), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 7002, " CB " at (95.341, 108.972, 15.178), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 7003, " CG " at (95.170, 108.645, 16.670), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 7004, " ND2" at (96.280, 108.391, 17.357), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 7005, "1HD2" at (97.204, 108.416, 16.925), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 7006, "2HD2" at (96.167, 108.174, 18.347), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 7007, " OD1" at (94.049, 108.615, 17.194), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 7008, " N  " at (93.431, 105.965, 14.139), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 7009, " HN " at (92.517, 106.397, 14.276), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 7010, " CA " at (93.501, 104.523, 13.893), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 7011, " C  " at (93.980, 104.246, 12.478), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 7012, " O  " at (93.535, 104.892, 11.527), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 7013, " CB " at (92.124, 103.888, 14.092), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 7014, " N  " at (94.884, 103.293, 12.334), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 7015, " HN " at (95.248, 102.819, 13.160), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 7016, " CA " at (95.371, 102.907, 11.011), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 7017, " C  " at (95.014, 101.439, 10.701), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 7018, " O  " at (95.475, 100.846, 9.705), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 7019, " CB " at (96.880, 103.170, 10.893), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 7020, " CG1" at (97.648, 102.408, 11.978), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 7021, " CG2" at (97.178, 104.720, 10.923), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 7022, " CD1" at (99.129, 102.301, 11.726), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 7023, " N  " at (94.198, 100.857, 11.556), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 7024, " HN " at (93.987, 101.316, 12.442), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 7025, " CA " at (93.588, 99.558, 11.251), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 7026, " C  " at (92.137, 99.604, 11.722), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 7027, " O  " at (91.773, 100.444, 12.549), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 7028, " CB " at (94.357, 98.381, 11.923), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 7029, " OG " at (94.126, 98.379, 13.332), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 7030, " HG " at (94.595, 97.661, 13.742), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 7031, " N  " at (91.300, 98.728, 11.197), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 7032, " HN " at (91.610, 98.087, 10.466), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 7033, " CA " at (89.940, 98.693, 11.675), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 7034, " C  " at (89.921, 98.020, 13.073), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 7035, " O  " at (90.757, 97.135, 13.344), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 7036, " CB " at (88.993, 98.068, 10.635), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 7037, " CG " at (88.791, 96.555, 10.664), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 7038, " CD " at (87.700, 96.147, 9.645), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 7039, " CE " at (86.398, 95.633, 10.322), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 7040, " NZ " at (85.577, 96.723, 11.003), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 7041, " HZ1" at (84.723, 96.386, 11.447), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 7042, " HZ2" at (85.366, 97.474, 10.346), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 7043, " HZ3" at (86.150, 97.236, 11.673), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 7044, " N  " at (88.999, 98.437, 13.947), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 7045, " CA " at (88.982, 97.912, 15.307), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 7046, " C  " at (88.631, 96.427, 15.276), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 7047, " O  " at (87.644, 96.015, 14.661), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 7048, " CB " at (87.913, 98.759, 16.027), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 7049, " CG " at (87.080, 99.398, 14.969), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 7050, " CD " at (87.882, 99.364, 13.691), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 7051, " N  " at (89.502, 95.624, 15.859), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 7052, " HN " at (90.376, 96.014, 16.211), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 7053, " CA " at (89.250, 94.197, 16.014), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 7054, " C  " at (88.584, 94.010, 17.384), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 7055, " O  " at (89.209, 94.215, 18.408), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 7056, " CB " at (90.594, 93.445, 15.918), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 7057, " CG " at (90.530, 91.944, 15.800), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 7058, " CD " at (91.931, 91.325, 15.636), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 7059, " OE1" at (92.854, 92.050, 15.131), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 7060, " OE2" at (92.134, 90.128, 16.019), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 7061, " N  " at (87.305, 93.671, 17.393), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 7062, " HN " at (86.814, 93.587, 16.503), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 7063, " CA " at (86.575, 93.415, 18.616), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 7064, " C  " at (86.842, 91.954, 19.060), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 7065, " O  " at (86.536, 90.993, 18.337), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 7066, " CB " at (85.051, 93.633, 18.429), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 7067, " CG1" at (84.312, 93.449, 19.766), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 7068, " CG2" at (84.700, 95.058, 17.827), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 7069, " N  " at (87.357, 91.796, 20.268), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 7070, " HN " at (87.459, 92.603, 20.884), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 7071, " CA " at (87.781, 90.477, 20.728), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 7072, " C  " at (86.726, 89.733, 21.541), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 7073, " O  " at (86.867, 88.545, 21.783), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 7074, " CB " at (89.103, 90.613, 21.537), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 7075, " CG " at (90.263, 91.396, 20.890), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 7076, " CD1" at (91.436, 91.571, 21.824), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 7077, " CD2" at (90.732, 90.698, 19.632), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 7078, " N  " at (85.680, 90.442, 21.957), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 7079, " HN " at (85.552, 91.380, 21.577), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 7080, " CA " at (84.709, 89.953, 22.924), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 7081, " C  " at (83.296, 89.812, 22.332), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 7082, " O  " at (82.990, 90.430, 21.313), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 7083, " CB " at (84.659, 90.917, 24.148), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 7084, " CG2" at (85.873, 90.737, 25.044), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 7085, " OG1" at (84.755, 92.282, 23.702), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 7086, " HG1" at (83.996, 92.395, 23.142), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 7087, " N  " at (82.423, 89.011, 22.963), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 7088, " CA " at (81.020, 88.914, 22.508), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 7089, " C  " at (80.395, 90.336, 22.437), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 7090, " O  " at (80.567, 91.148, 23.348), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 7091, " CB " at (80.341, 88.036, 23.589), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 7092, " CG " at (81.436, 87.239, 24.179), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 7093, " CD " at (82.696, 88.136, 24.130), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 7094, " N  " at (79.692, 90.631, 21.355), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 7095, " HN " at (79.502, 89.903, 20.666), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 7096, " CA " at (79.178, 91.998, 21.129), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 7097, " C  " at (77.825, 92.227, 21.794), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 7098, " O  " at (76.793, 92.394, 21.138), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 7099, " CB " at (79.168, 92.316, 19.629), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 7100, " CG " at (80.611, 92.389, 19.053), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 7101, " CD " at (80.667, 92.547, 17.535), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 7102, " NE2" at (81.551, 91.787, 16.892), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 7103, "1HE2" at (81.588, 91.893, 15.878), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 7104, "2HE2" at (82.156, 91.121, 17.372), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 7105, " OE1" at (79.936, 93.352, 16.955), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 7106, " N  " at (77.852, 92.247, 23.121), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 7107, " HN " at (78.753, 92.171, 23.592), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 7108, " CA " at (76.639, 92.374, 23.940), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 7109, " C  " at (76.787, 93.598, 24.798), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 7110, " O  " at (77.864, 93.824, 25.355), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 7111, " CB " at (76.437, 91.139, 24.845), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 7112, " CG " at (76.330, 89.725, 24.206), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 7113, " CD1" at (76.193, 88.640, 25.289), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 7114, " CD2" at (75.168, 89.572, 23.243), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 7115, " N  " at (75.707, 94.354, 24.938), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 7116, " HN " at (74.867, 94.133, 24.403), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 7117, " CA " at (75.700, 95.500, 25.848), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 7118, " C  " at (74.857, 95.140, 27.039), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 7119, " O  " at (73.995, 94.270, 26.946), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 7120, " CB " at (75.133, 96.740, 25.164), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 7121, " N  " at (75.107, 95.792, 28.159), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 7122, " HN " at (75.887, 96.449, 28.184), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 7123, " CA " at (74.314, 95.605, 29.347), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 7124, " C  " at (73.357, 96.804, 29.429), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 7125, " O  " at (73.783, 97.963, 29.306), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 7126, " CB " at (75.262, 95.535, 30.528), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 7127, " CG " at (74.718, 94.919, 31.739), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 7128, " CD " at (74.509, 93.404, 31.690), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 7129, " NE " at (73.856, 93.049, 32.927), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 7130, " HE " at (73.777, 93.782, 33.632), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 7131, " CZ " at (73.345, 91.855, 33.240), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 7132, " NH1" at (73.390, 90.824, 32.386), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 7133, "1HH1" at (73.000, 89.912, 32.625), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 7134, "2HH1" at (73.820, 90.942, 31.468), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 7135, " NH2" at (72.790, 91.703, 34.425), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 7136, "1HH2" at (72.400, 90.791, 34.664), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 7137, "2HH2" at (72.756, 92.488, 35.075), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 7138, " N  " at (72.062, 96.517, 29.554), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 7139, " HN " at (71.788, 95.541, 29.663), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 7140, " CA " at (71.015, 97.539, 29.542), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 7141, " C  " at (70.279, 97.465, 30.885), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 7142, " O  " at (69.781, 96.400, 31.261), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 7143, " CB " at (70.014, 97.347, 28.379), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 7144, " CG1" at (68.918, 98.418, 28.409), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 7145, " CG2" at (70.707, 97.332, 27.035), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 7146, " N  " at (70.254, 98.588, 31.602), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 7147, " HN " at (70.790, 99.388, 31.265), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 7148, " CA " at (69.505, 98.734, 32.838), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 7149, " C  " at (68.059, 99.183, 32.531), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 7150, " O  " at (67.814, 99.830, 31.518), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 7151, " CB " at (70.226, 99.734, 33.797), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 7152, " CG1" at (69.581, 99.752, 35.201), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 7153, " CG2" at (71.708, 99.373, 33.923), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 7154, " N  " at (67.121, 98.829, 33.402), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 7155, " HN " at (67.402, 98.318, 34.239), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 7156, " CA " at (65.695, 99.141, 33.215), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 7157, " C  " at (65.327, 100.631, 33.078), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 7158, " O  " at (64.251, 100.947, 32.574), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 7159, " CB " at (64.857, 98.528, 34.318), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 7160, " OG " at (65.126, 99.152, 35.559), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 7161, " HG " at (64.600, 98.768, 36.251), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 7162, " N  " at (66.218, 101.527, 33.501), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 7163, " HN " at (67.062, 101.213, 33.980), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 7164, " CA " at (65.997, 102.962, 33.285), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 7165, " C  " at (66.504, 103.458, 31.926), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 7166, " O  " at (66.377, 104.637, 31.595), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 7167, " CB " at (66.570, 103.806, 34.435), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 7168, " CG " at (68.074, 103.680, 34.579), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 7169, " OD1" at (68.743, 103.061, 33.733), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 7170, " OD2" at (68.688, 104.187, 35.536), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 7171, " N  " at (67.066, 102.551, 31.135), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 7172, " HN " at (67.142, 101.587, 31.458), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 7173, " CA " at (67.572, 102.900, 29.826), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 7174, " C  " at (69.076, 103.131, 29.765), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 7175, " O  " at (69.596, 103.375, 28.689), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 7176, " N  " at (69.784, 103.047, 30.887), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 7177, " HN " at (69.312, 102.871, 31.774), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 7178, " CA " at (71.242, 103.206, 30.853), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 7179, " C  " at (71.863, 101.999, 30.169), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 7180, " O  " at (71.496, 100.874, 30.474), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 7181, " CB " at (71.847, 103.303, 32.261), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 7182, " CG " at (71.558, 104.593, 33.033), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 7183, " CD " at (71.927, 105.861, 32.281), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 7184, " OE1" at (73.116, 106.052, 31.897), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 7185, " OE2" at (71.009, 106.662, 32.055), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 7186, " N  " at (72.800, 102.261, 29.257), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 7187, " HN " at (73.035, 103.236, 29.070), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 7188, " CA " at (73.501, 101.231, 28.519), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 7189, " C  " at (75.004, 101.276, 28.839), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 7190, " O  " at (75.576, 102.367, 28.962), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 7191, " CB " at (73.295, 101.380, 26.985), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 7192, " CG1" at (73.868, 100.130, 26.226), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 7193, " CG2" at (71.828, 101.555, 26.646), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 7194, " N  " at (75.621, 100.093, 28.955), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 7195, " HN " at (75.043, 99.253, 28.984), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 7196, " CA " at (77.051, 99.932, 29.042), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 7197, " C  " at (77.506, 98.938, 27.986), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 7198, " O  " at (77.098, 97.754, 27.997), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 7199, " CB " at (77.450, 99.417, 30.424), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 7200, " CG " at (78.908, 98.947, 30.640), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 7201, " CD1" at (79.939, 100.053, 30.408), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 7202, " CD2" at (79.071, 98.349, 32.084), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 7203, " N  " at (78.335, 99.411, 27.064), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 7204, " HN " at (78.563, 100.405, 27.068), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 7205, " CA " at (78.924, 98.565, 26.057), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 7206, " C  " at (80.442, 98.710, 26.229), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 7207, " O  " at (80.989, 99.829, 26.175), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 7208, " CB " at (78.488, 98.981, 24.648), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 7209, " CG " at (79.098, 98.112, 23.559), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 7210, " CD1" at (79.159, 96.697, 23.705), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 7211, " CD2" at (79.626, 98.672, 22.417), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 7212, " CE1" at (79.713, 95.896, 22.718), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 7213, " CE2" at (80.188, 97.882, 21.415), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 7214, " CZ " at (80.234, 96.500, 21.575), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 7215, " OH " at (80.794, 95.720, 20.597), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 7216, " HH " at (80.825, 94.777, 20.706), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 7217, " N  " at (81.112, 97.588, 26.480), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 7218, " HN " at (80.623, 96.694, 26.434), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 7219, " CA " at (82.517, 97.609, 26.816), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 7220, " C  " at (83.241, 96.494, 26.087), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 7221, " O  " at (83.643, 95.542, 26.715), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 7222, " CB " at (82.690, 97.442, 28.338), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 7223, " CG " at (84.121, 97.732, 28.847), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 7224, " SD " at (84.272, 97.961, 30.638), DEBUG: found_parm->rec_index = 5 was assigned atom type "SA" (rec_index= 5, atom_type= 5).
-Atom no. 7225, " CE " at (82.689, 97.926, 31.154), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 7226, " N  " at (83.447, 96.636, 24.786), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 7227, " CA " at (84.215, 95.638, 24.035), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 7228, " C  " at (85.723, 95.739, 24.300), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 7229, " O  " at (86.249, 96.819, 24.657), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 7230, " CB " at (83.872, 95.961, 22.570), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 7231, " CG " at (83.603, 97.526, 22.589), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 7232, " CD " at (82.972, 97.734, 23.924), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 7233, " N  " at (86.402, 94.590, 24.210), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 7234, " HN " at (85.884, 93.712, 24.164), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 7235, " CA " at (87.843, 94.553, 24.176), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 7236, " C  " at (88.250, 94.736, 22.715), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 7237, " O  " at (87.787, 94.015, 21.831), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 7238, " CB " at (88.376, 93.239, 24.691), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 7239, " OG " at (89.784, 93.297, 24.757), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 7240, " HG " at (90.120, 92.470, 25.081), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 7241, " N  " at (89.094, 95.717, 22.451), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 7242, " HN " at (89.510, 96.249, 23.215), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 7243, " CA " at (89.431, 96.041, 21.078), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 7244, " C  " at (90.933, 95.951, 20.858), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 7245, " O  " at (91.726, 96.403, 21.688), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 7246, " CB " at (88.875, 97.460, 20.723), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 7247, " CG1" at (87.337, 97.399, 20.659), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 7248, " CG2" at (89.478, 97.975, 19.376), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 7249, " CD1" at (86.701, 98.724, 20.308), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 7250, " N  " at (91.329, 95.306, 19.772), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 7251, " HN " at (90.669, 94.715, 19.266), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 7252, " CA " at (92.687, 95.432, 19.298), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 7253, " C  " at (92.740, 96.348, 18.061), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 7254, " O  " at (92.019, 96.130, 17.078), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 7255, " CB " at (93.293, 94.074, 18.987), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 7256, " CG " at (94.757, 94.174, 18.564), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 7257, " CD " at (95.411, 92.866, 18.218), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 7258, " NE " at (96.825, 93.033, 17.924), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 7259, " HE " at (97.137, 93.961, 17.638), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 7260, " CZ " at (97.746, 92.076, 17.997), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 7261, " NH1" at (97.431, 90.842, 18.395), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 7262, "1HH1" at (98.137, 90.108, 18.451), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 7263, "2HH1" at (96.464, 90.622, 18.632), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 7264, " NH2" at (99.001, 92.362, 17.690), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 7265, "1HH2" at (99.707, 91.628, 17.746), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 7266, "2HH2" at (99.242, 93.305, 17.386), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 7267, " N  " at (93.605, 97.352, 18.115), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 7268, " HN " at (94.237, 97.424, 18.912), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 7269, " CA " at (93.671, 98.362, 17.050), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 7270, " C  " at (95.056, 98.989, 17.002), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 7271, " O  " at (95.737, 99.086, 18.037), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 7272, " CB " at (92.593, 99.453, 17.271), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 7273, " CG " at (92.303, 100.286, 16.044), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 7274, " CD " at (91.022, 101.084, 16.139), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 7275, " NE2" at (90.415, 101.345, 15.013), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 7276, "1HE2" at (90.782, 101.044, 14.110), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 7277, "2HE2" at (89.551, 101.883, 15.077), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 7278, " OE1" at (90.589, 101.439, 17.205), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 7279, " N  " at (95.460, 99.391, 15.800), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 7280, " HN " at (94.839, 99.240, 15.005), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 7281, " CA " at (96.736, 100.032, 15.564), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 7282, " C  " at (96.488, 101.552, 15.400), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 7283, " O  " at (95.446, 101.963, 14.868), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 7284, " CB " at (97.388, 99.500, 14.277), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 7285, " CG " at (97.876, 98.035, 14.304), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 7286, " CD " at (98.048, 97.380, 12.892), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 7287, " NE " at (97.242, 96.146, 12.776), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 7288, " HE " at (96.683, 95.877, 13.586), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 7289, " CZ " at (97.182, 95.352, 11.701), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 7290, " NH1" at (97.879, 95.632, 10.595), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 7291, "1HH1" at (98.466, 96.466, 10.571), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 7292, "2HH1" at (97.833, 95.027, 9.775), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 7293, " NH2" at (96.414, 94.262, 11.733), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 7294, "1HH2" at (95.882, 94.048, 12.577), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 7295, "2HH2" at (96.368, 93.657, 10.913), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 7296, " N  " at (97.467, 102.351, 15.817), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 7297, " HN " at (98.342, 101.927, 16.127), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 7298, " CA " at (97.347, 103.816, 15.852), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 7299, " C  " at (98.619, 104.447, 15.326), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 7300, " O  " at (99.700, 103.863, 15.413), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 7301, " CB " at (97.052, 104.331, 17.261), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 7302, " CG " at (95.748, 103.860, 17.783), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 7303, " CD1" at (94.549, 104.433, 17.320), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 7304, " CD2" at (95.686, 102.811, 18.717), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 7305, " CE1" at (93.334, 103.964, 17.774), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 7306, " CE2" at (94.482, 102.386, 19.191), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 7307, " CZ " at (93.291, 102.925, 18.708), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 7308, " N  " at (98.462, 105.629, 14.771), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 7309, " HN " at (97.515, 105.961, 14.585), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 7310, " CA " at (99.584, 106.483, 14.411), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 7311, " C  " at (99.697, 107.522, 15.511), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 7312, " O  " at (98.742, 108.234, 15.794), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 7313, " CB " at (99.304, 107.171, 13.073), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 7314, " OG " at (100.183, 108.282, 12.883), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 7315, " HG " at (100.009, 108.709, 12.052), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 7316, " N  " at (100.843, 107.559, 16.176), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 7317, " HN " at (101.605, 106.940, 15.901), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 7318, " CA " at (101.026, 108.473, 17.293), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 7319, " C  " at (102.488, 108.592, 17.676), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 7320, " O  " at (103.332, 107.855, 17.157), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 7321, " CB " at (100.184, 108.049, 18.516), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 7322, " SG " at (100.556, 106.415, 19.206), DEBUG: found_parm->rec_index = 5 was assigned atom type "SA" (rec_index= 5, atom_type= 5).
-Atom no. 7323, " N  " at (102.773, 109.523, 18.585), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 7324, " HN " at (102.000, 110.040, 19.005), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 7325, " CA " at (104.138, 109.845, 19.015), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 7326, " C  " at (104.746, 108.741, 19.868), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 7327, " O  " at (104.382, 108.592, 21.041), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 7328, " CB " at (104.151, 111.156, 19.806), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 7329, " CG " at (105.514, 111.802, 19.840), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 7330, " OD1" at (106.473, 111.194, 19.321), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 7331, " OD2" at (105.719, 112.940, 20.350), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 7332, " N  " at (105.663, 107.983, 19.275), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 7333, " HN " at (105.936, 108.197, 18.316), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 7334, " CA " at (106.291, 106.855, 19.954), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 7335, " C  " at (107.682, 107.272, 20.487), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 7336, " O  " at (108.337, 106.517, 21.209), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 7337, " CB " at (106.343, 105.590, 19.034), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 7338, " CG1" at (107.065, 104.429, 19.698), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 7339, " CG2" at (104.937, 105.129, 18.673), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 7340, " N  " at (108.111, 108.494, 20.168), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 7341, " HN " at (107.514, 109.105, 19.611), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 7342, " CA " at (109.430, 108.977, 20.605), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 7343, " C  " at (109.571, 108.983, 22.126), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 7344, " O  " at (108.640, 109.368, 22.831), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 7345, " CB " at (109.743, 110.373, 20.043), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 7346, " OG " at (108.919, 111.375, 20.632), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 7347, " HG " at (109.112, 112.238, 20.285), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 7348, " N  " at (110.731, 108.552, 22.611), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 7349, " HN " at (111.479, 108.300, 21.965), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 7350, " CA " at (110.956, 108.433, 24.035), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 7351, " C  " at (110.464, 107.158, 24.717), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 7352, " O  " at (110.620, 107.020, 25.925), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 7353, " N  " at (109.900, 106.221, 23.957), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 7354, " HN " at (109.830, 106.367, 22.950), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 7355, " CA " at (109.378, 104.984, 24.542), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 7356, " C  " at (110.432, 104.223, 25.348), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 7357, " O  " at (110.112, 103.515, 26.311), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 7358, " CB " at (108.707, 104.046, 23.483), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 7359, " CG1" at (109.712, 103.494, 22.499), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 7360, " CG2" at (107.946, 102.896, 24.176), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 7361, " N  " at (111.678, 104.397, 24.934), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 7362, " HN " at (111.843, 105.056, 24.173), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 7363, " CA " at (112.824, 103.706, 25.499), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 7364, " C  " at (113.447, 104.426, 26.682), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 7365, " O  " at (114.328, 103.877, 27.336), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 7366, " CB " at (113.904, 103.613, 24.434), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 7367, " CG " at (113.912, 102.295, 23.709), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 7368, " OD1" at (112.947, 101.483, 23.832), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 7369, " OD2" at (114.875, 102.010, 22.959), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 7370, " N  " at (113.045, 105.667, 26.931), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 7371, " HN " at (112.340, 106.099, 26.333), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 7372, " CA " at (113.603, 106.422, 28.055), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 7373, " C  " at (112.707, 106.330, 29.272), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 7374, " O  " at (111.630, 105.723, 29.227), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 7375, " CB " at (113.790, 107.912, 27.689), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 7376, " CG2" at (114.321, 108.087, 26.253), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 7377, " OG1" at (112.517, 108.562, 27.690), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 7378, " HG1" at (112.632, 109.478, 27.465), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 7379, " N  " at (113.139, 106.985, 30.339), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 7380, " HN " at (113.980, 107.556, 30.249), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 7381, " CA " at (112.476, 106.932, 31.633), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 7382, " C  " at (111.183, 107.764, 31.683), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 7383, " O  " at (110.212, 107.385, 32.335), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 7384, " CB " at (113.473, 107.355, 32.726), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 7385, " CG " at (113.246, 106.730, 34.104), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 7386, " CD " at (113.691, 105.266, 34.217), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 7387, " OE1" at (114.913, 104.984, 34.167), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 7388, " OE2" at (112.804, 104.393, 34.391), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 7389, " N  " at (111.173, 108.894, 30.990), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 7390, " HN " at (112.022, 109.192, 30.510), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 7391, " CA " at (109.975, 109.721, 30.898), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 7392, " C  " at (108.933, 109.101, 29.950), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 7393, " O  " at (107.747, 109.417, 30.032), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 7394, " CB " at (110.336, 111.179, 30.533), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 7395, " OG " at (110.215, 111.427, 29.144), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 7396, " HG " at (110.437, 112.323, 28.920), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 7397, " N  " at (109.380, 108.197, 29.084), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 7398, " HN " at (110.386, 108.048, 29.002), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 7399, " CA " at (108.476, 107.408, 28.244), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 7400, " C  " at (107.904, 108.151, 27.050), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 7401, " O  " at (108.181, 109.356, 26.855), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 7402, " N  " at (107.112, 107.440, 26.242), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 7403, " HN " at (106.997, 106.440, 26.406), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 7404, " CA " at (106.413, 108.066, 25.136), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 7405, " C  " at (104.992, 108.474, 25.556), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 7406, " O  " at (104.470, 107.996, 26.562), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 7407, " CB " at (106.395, 107.161, 23.922), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 7408, " N  " at (104.388, 109.390, 24.800), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 7409, " HN " at (104.908, 109.823, 24.036), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 7410, " CA " at (103.015, 109.789, 25.031), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 7411, " C  " at (102.235, 109.671, 23.715), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 7412, " O  " at (102.333, 110.539, 22.841), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 7413, " CB " at (102.949, 111.223, 25.623), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 7414, " CG2" at (101.534, 111.560, 26.078), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 7415, " OG1" at (103.711, 111.286, 26.845), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 7416, " HG1" at (104.593, 111.076, 26.561), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 7417, " N  " at (101.484, 108.577, 23.600), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 7418, " HN " at (101.526, 107.894, 24.356), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 7419, " CA " at (100.608, 108.285, 22.474), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 7420, " C  " at (99.217, 108.848, 22.763), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 7421, " O  " at (98.605, 108.492, 23.760), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 7422, " CB " at (100.526, 106.759, 22.254), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 7423, " SG " at (99.427, 106.182, 20.903), DEBUG: found_parm->rec_index = 5 was assigned atom type "SA" (rec_index= 5, atom_type= 5).
-Atom no. 7424, " N  " at (98.738, 109.721, 21.891), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 7425, " HN " at (99.328, 109.994, 21.105), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 7426, " CA " at (97.401, 110.316, 21.997), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 7427, " C  " at (96.414, 109.587, 21.092), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 7428, " O  " at (96.676, 109.455, 19.894), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 7429, " CB " at (97.461, 111.744, 21.485), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 7430, " CG " at (96.650, 112.737, 22.242), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 7431, " CD " at (97.211, 114.134, 22.092), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 7432, " NE " at (97.083, 114.603, 20.711), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 7433, " HE " at (96.145, 114.733, 20.332), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 7434, " CZ " at (98.120, 114.869, 19.923), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 7435, " NH1" at (99.364, 114.689, 20.376), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 7436, "1HH1" at (99.517, 114.363, 21.330), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 7437, "2HH1" at (100.160, 114.893, 19.771), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 7438, " NH2" at (97.921, 115.293, 18.682), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 7439, "1HH2" at (96.971, 115.430, 18.336), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 7440, "2HH2" at (98.717, 115.497, 18.077), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 7441, " N  " at (95.286, 109.155, 21.650), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 7442, " HN " at (95.160, 109.272, 22.655), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 7443, " CA " at (94.226, 108.523, 20.882), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 7444, " C  " at (92.975, 109.411, 20.887), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 7445, " O  " at (92.450, 109.746, 21.957), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 7446, " CB " at (93.886, 107.106, 21.455), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 7447, " CG1" at (95.107, 106.168, 21.366), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 7448, " CG2" at (92.724, 106.505, 20.681), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 7449, " CD1" at (94.904, 104.761, 22.028), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 7450, " N  " at (92.521, 109.803, 19.696), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 7451, " HN " at (92.976, 109.442, 18.858), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 7452, " CA " at (91.393, 110.732, 19.539), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 7453, " C  " at (90.144, 109.950, 19.137), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 7454, " O  " at (90.140, 109.279, 18.097), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 7455, " CB " at (91.733, 111.803, 18.472), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 7456, " CG " at (90.598, 112.764, 18.084), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 7457, " CD " at (91.108, 113.904, 17.104), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 7458, " CE " at (89.962, 114.662, 16.398), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 7459, " NZ " at (90.326, 115.363, 15.054), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 7460, " HZ1" at (89.569, 115.864, 14.588), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 7461, " HZ2" at (90.738, 114.686, 14.412), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 7462, " HZ3" at (91.118, 115.990, 15.195), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 7463, " N  " at (89.095, 110.022, 19.956), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 7464, " HN " at (89.157, 110.614, 20.784), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 7465, " CA " at (87.856, 109.280, 19.707), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 7466, " C  " at (86.640, 110.183, 19.773), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 7467, " O  " at (86.473, 110.942, 20.740), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 7468, " CB " at (87.684, 108.157, 20.691), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 7469, " CG1" at (88.829, 107.149, 20.530), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 7470, " CG2" at (86.275, 107.491, 20.527), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 7471, " CD1" at (88.384, 105.754, 20.283), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 7472, " N  " at (85.777, 110.083, 18.765), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 7473, " HN " at (85.965, 109.435, 18.000), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 7474, " CA " at (84.568, 110.891, 18.746), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 7475, " C  " at (83.555, 110.310, 17.785), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 7476, " O  " at (83.870, 109.344, 17.059), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 7477, " N  " at (82.345, 110.870, 17.779), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 7478, " HN " at (82.124, 111.611, 18.444), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 7479, " CA " at (81.338, 110.424, 16.824), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 7480, " C  " at (81.808, 110.806, 15.423), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 7481, " O  " at (82.243, 111.962, 15.189), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 7482, " CB " at (79.979, 111.058, 17.088), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 7483, " OG " at (79.179, 111.053, 15.893), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 7484, " HG " at (78.331, 111.449, 16.058), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 7485, " N  " at (81.715, 109.861, 14.494), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 7486, " HN " at (81.369, 108.938, 14.757), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 7487, " CA " at (82.097, 110.110, 13.100), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 7488, " C  " at (81.145, 111.055, 12.366), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 7489, " O  " at (81.563, 111.815, 11.504), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 7490, " CB " at (82.185, 108.789, 12.331), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 7491, " CG " at (82.974, 108.914, 11.095), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 7492, " CD1" at (82.535, 108.732, 9.828), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 7493, " CD2" at (84.343, 109.339, 10.987), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 7494, " CE2" at (84.674, 109.337, 9.622), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 7495, " CE3" at (85.326, 109.688, 11.907), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 7496, " NE1" at (83.552, 108.966, 8.934), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 7497, " HE1" at (83.481, 108.877, 7.920), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 7498, " CZ2" at (85.947, 109.718, 9.152), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 7499, " CZ3" at (86.592, 110.009, 11.455), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 7500, " CH2" at (86.890, 110.053, 10.094), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 7501, " N  " at (79.841, 110.950, 12.652), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 7502, " HN " at (79.553, 110.369, 13.440), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 7503, " CA " at (78.824, 111.637, 11.876), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 7504, " C  " at (77.858, 112.483, 12.666), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 7505, " O  " at (77.007, 113.080, 12.068), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 7506, " CB " at (77.962, 110.651, 10.974), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 7507, " CG2" at (78.835, 109.667, 10.174), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 7508, " OG1" at (77.107, 109.844, 11.797), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 7509, " HG1" at (76.568, 110.451, 12.291), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 7510, " N  " at (77.975, 112.520, 13.986), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 7511, " HN " at (78.721, 111.988, 14.433), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 7512, " CA " at (77.067, 113.300, 14.815), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 7513, " C  " at (77.817, 114.474, 15.461), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 7514, " O  " at (78.725, 114.269, 16.247), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 7515, " CB " at (76.441, 112.392, 15.907), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 7516, " CG " at (75.463, 111.390, 15.371), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 7517, " CD2" at (75.546, 110.042, 15.232), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 7518, " ND1" at (74.216, 111.752, 14.899), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 7519, " HD1" at (73.847, 112.703, 14.869), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 7520, " CE1" at (73.576, 110.665, 14.491), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 7521, " NE2" at (74.355, 109.611, 14.699), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 7522, " HE2" at (74.110, 108.642, 14.497), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 7523, " N  " at (77.429, 115.699, 15.136), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 7524, " HN " at (76.678, 115.817, 14.456), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 7525, " CA " at (78.043, 116.878, 15.721), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 7526, " C  " at (77.545, 117.136, 17.150), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 7527, " O  " at (76.729, 116.381, 17.685), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 7528, " CB " at (77.846, 118.113, 14.837), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 7529, " CG " at (76.422, 118.377, 14.482), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 7530, " CD2" at (75.678, 117.976, 13.425), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 7531, " ND1" at (75.586, 119.123, 15.282), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 7532, " HD1" at (75.855, 119.580, 16.153), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 7533, " CE1" at (74.381, 119.154, 14.743), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 7534, " NE2" at (74.414, 118.496, 13.600), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 7535, " HE2" at (73.633, 118.390, 12.953), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 7536, " N  " at (78.030, 118.210, 17.757), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 7537, " HN " at (78.532, 118.906, 17.206), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 7538, " CA " at (77.866, 118.425, 19.190), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 7539, " C  " at (76.448, 118.633, 19.670), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 7540, " O  " at (76.165, 118.385, 20.833), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 7541, " CB " at (78.789, 119.525, 19.727), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 7542, " OG " at (78.521, 120.758, 19.108), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 7543, " HG " at (79.093, 121.440, 19.441), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 7544, " N  " at (75.534, 119.069, 18.805), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 7545, " HN " at (75.809, 119.371, 17.870), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 7546, " CA " at (74.117, 119.110, 19.217), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 7547, " C  " at (73.412, 117.732, 19.227), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 7548, " O  " at (72.283, 117.618, 19.696), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 7549, " CB " at (73.350, 120.161, 18.406), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 7550, " CG " at (73.733, 121.601, 18.812), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 7551, " CD " at (73.102, 122.737, 17.963), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 7552, " NE " at (73.305, 122.571, 16.517), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 7553, " HE " at (74.255, 122.668, 16.159), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 7554, " CZ " at (72.332, 122.301, 15.634), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 7555, " NH1" at (71.064, 122.153, 16.031), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 7556, "1HH1" at (70.842, 122.249, 17.022), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 7557, "2HH1" at (70.324, 121.948, 15.360), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 7558, " NH2" at (72.621, 122.176, 14.344), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 7559, "1HH2" at (73.588, 122.289, 14.041), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 7560, "2HH2" at (71.881, 121.971, 13.673), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 7561, " N  " at (74.078, 116.699, 18.719), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 7562, " HN " at (75.020, 116.850, 18.358), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 7563, " CA " at (73.504, 115.345, 18.659), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 7564, " C  " at (74.211, 114.348, 19.597), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 7565, " O  " at (73.549, 113.634, 20.313), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 7566, " CB " at (73.496, 114.812, 17.217), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 7567, " CG " at (72.803, 115.785, 16.282), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 7568, " CD " at (72.480, 115.243, 14.897), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 7569, " OE1" at (73.005, 114.187, 14.480), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 7570, " OE2" at (71.698, 115.914, 14.190), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 7571, " N  " at (75.545, 114.315, 19.570), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 7572, " HN " at (76.027, 114.839, 18.840), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 7573, " CA " at (76.347, 113.571, 20.527), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 7574, " C  " at (77.416, 114.456, 21.231), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 7575, " O  " at (78.216, 115.111, 20.558), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 7576, " CB " at (77.013, 112.335, 19.813), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 7577, " CG1" at (75.942, 111.286, 19.436), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 7578, " CG2" at (78.128, 111.803, 20.666), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 7579, " CD1" at (76.462, 109.953, 18.769), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 7580, " N  " at (77.407, 114.488, 22.564), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 7581, " HN " at (76.571, 114.190, 23.067), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 7582, " CA " at (78.576, 114.944, 23.319), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 7583, " C  " at (79.385, 113.757, 23.869), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 7584, " O  " at (78.818, 112.708, 24.226), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 7585, " CB " at (78.255, 115.960, 24.440), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 7586, " OG " at (77.053, 115.703, 25.125), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 7587, " HG " at (76.856, 116.327, 25.814), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 7588, " N  " at (80.710, 113.889, 23.851), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 7589, " HN " at (81.132, 114.730, 23.458), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 7590, " CA " at (81.564, 112.829, 24.394), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 7591, " C  " at (82.308, 113.371, 25.568), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 7592, " O  " at (82.874, 114.462, 25.485), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 7593, " CB " at (82.602, 112.257, 23.406), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 7594, " CG1" at (82.131, 110.936, 22.858), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 7595, " CG2" at (82.873, 113.213, 22.282), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 7596, " N  " at (82.281, 112.601, 26.660), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 7597, " HN " at (81.802, 111.702, 26.601), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 7598, " CA " at (82.900, 112.971, 27.940), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 7599, " C  " at (83.775, 111.844, 28.527), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 7600, " O  " at (83.433, 110.656, 28.444), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 7601, " CB " at (81.837, 113.395, 28.965), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 7602, " CG " at (80.705, 114.209, 28.337), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 7603, " OD1" at (79.922, 113.644, 27.521), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 7604, " OD2" at (80.507, 115.419, 28.622), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 7605, " N  " at (84.899, 112.232, 29.122), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 7606, " CA " at (85.740, 111.292, 29.850), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 7607, " C  " at (85.346, 111.328, 31.308), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 7608, " O  " at (86.125, 111.853, 32.111), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 7609, " CB " at (87.135, 111.886, 29.676), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 7610, " CG " at (86.926, 113.379, 29.368), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 7611, " CD " at (85.458, 113.597, 29.142), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 7612, " N  " at (84.168, 110.806, 31.652), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 7613, " HN " at (83.614, 110.309, 30.954), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 7614, " CA " at (83.656, 110.937, 33.026), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 7615, " C  " at (84.673, 110.353, 34.001), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 7616, " O  " at (85.218, 109.259, 33.759), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 7617, " CB " at (82.228, 110.304, 33.223), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 7618, " CG2" at (81.618, 110.742, 34.589), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 7619, " OG1" at (81.300, 110.831, 32.251), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 7620, " HG1" at (81.672, 110.564, 31.419), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 7621, " N  " at (84.931, 111.109, 35.072), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 7622, " HN " at (84.386, 111.961, 35.208), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 7623, " CA " at (85.958, 110.774, 36.060), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 7624, " C  " at (85.539, 109.617, 36.945), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 7625, " O  " at (84.344, 109.307, 37.088), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 7626, " CB " at (86.350, 111.994, 36.982), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 7627, " CG2" at (87.869, 112.283, 36.907), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 7628, " OG1" at (85.729, 113.208, 36.531), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 7629, " HG1" at (85.965, 113.942, 37.086), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 7630, " N  " at (86.561, 108.981, 37.515), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 7631, " HN " at (87.497, 109.149, 37.145), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 7632, " CA " at (86.423, 108.060, 38.634), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 7633, " C  " at (87.620, 108.290, 39.583), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 7634, " O  " at (88.116, 109.415, 39.710), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 7635, " CB " at (86.313, 106.607, 38.135), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 7636, " CG " at (84.920, 106.228, 37.629), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 7637, " CD " at (84.934, 105.308, 36.410), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 7638, " OE1" at (84.848, 104.075, 36.594), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 7639, " OE2" at (85.019, 105.815, 35.265), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 7640, " N  " at (88.033, 107.236, 40.279), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 7641, " HN " at (87.400, 106.443, 40.383), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 7642, " CA " at (89.353, 107.160, 40.903), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 7643, " C  " at (90.175, 106.213, 40.004), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 7644, " O  " at (91.386, 106.034, 40.187), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 7645, " CB " at (89.207, 106.670, 42.366), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 7646, " CG " at (90.481, 106.053, 42.935), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 7647, " ND2" at (91.340, 106.889, 43.508), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 7648, "1HD2" at (92.192, 106.476, 43.888), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 7649, "2HD2" at (91.179, 107.895, 43.553), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 7650, " OD1" at (90.676, 104.834, 42.880), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 7651, " N  " at (89.471, 105.665, 39.004), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 7652, " HN " at (88.513, 105.998, 38.892), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 7653, " CA " at (89.920, 104.638, 38.048), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 7654, " C  " at (91.422, 104.510, 37.739), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 7655, " O  " at (91.912, 105.132, 36.778), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 7656, " CB " at (89.152, 104.796, 36.724), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 7657, " OG " at (89.132, 103.579, 35.994), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 7658, " HG " at (88.658, 103.677, 35.177), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 7659, " N  " at (92.111, 103.681, 38.542), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 7660, " HN " at (91.615, 103.294, 39.345), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 7661, " CA " at (93.525, 103.279, 38.366), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 7662, " C  " at (93.990, 103.173, 36.899), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 7663, " O  " at (93.164, 103.015, 35.983), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 7664, " CB " at (93.762, 101.936, 39.082), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 7665, " CG " at (95.158, 101.821, 39.709), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 7666, " OD1" at (96.077, 101.287, 39.039), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 7667, " OD2" at (95.420, 102.213, 40.875), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 7668, " N  " at (95.304, 103.250, 36.681), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 7669, " HN " at (95.941, 103.293, 37.476), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 7670, " CA " at (95.852, 103.274, 35.314), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 7671, " C  " at (96.093, 101.873, 34.731), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 7672, " O  " at (95.422, 101.469, 33.763), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 7673, " CB " at (97.115, 104.150, 35.254), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 7674, " CG " at (96.787, 105.657, 35.230), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 7675, " OD1" at (95.613, 106.015, 34.951), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 7676, " OD2" at (97.632, 106.551, 35.475), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 7677, " N  " at (97.025, 101.135, 35.355), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 7678, " HN " at (97.594, 101.573, 36.079), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 7679, " CA " at (97.258, 99.714, 35.033), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 7680, " C  " at (96.427, 98.721, 35.877), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 7681, " O  " at (96.938, 97.653, 36.251), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 7682, " CB " at (98.753, 99.332, 35.152), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 7683, " OG " at (99.613, 100.434, 35.357), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 7684, " HG " at (100.531, 100.200, 35.430), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 7685, " N  " at (95.169, 99.057, 36.181), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 7686, " HN " at (94.781, 99.940, 35.849), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 7687, " CA " at (94.353, 98.155, 36.990), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 7688, " C  " at (94.147, 96.875, 36.206), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 7689, " O  " at (94.251, 95.782, 36.765), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 7690, " CB " at (93.010, 98.770, 37.400), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 7691, " CG " at (92.506, 98.285, 38.768), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 7692, " CD " at (91.000, 98.476, 38.985), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 7693, " OE1" at (90.328, 99.044, 38.087), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 7694, " OE2" at (90.475, 98.056, 40.051), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 7695, " N  " at (93.909, 97.004, 34.903), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 7696, " HN " at (93.822, 97.932, 34.489), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 7697, " CA " at (93.772, 95.810, 34.063), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 7698, " C  " at (94.916, 95.581, 33.091), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 7699, " O  " at (94.847, 94.657, 32.305), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 7700, " CB " at (92.411, 95.780, 33.348), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 7701, " CG " at (91.282, 96.151, 34.271), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 7702, " CD1" at (91.008, 95.396, 35.415), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 7703, " CD2" at (90.535, 97.277, 34.036), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 7704, " CE1" at (89.985, 95.755, 36.274), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 7705, " CE2" at (89.530, 97.646, 34.867), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 7706, " CZ " at (89.247, 96.886, 35.985), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 7707, " OH " at (88.218, 97.301, 36.796), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 7708, " HH " at (87.710, 98.079, 36.597), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 7709, " N  " at (95.964, 96.401, 33.151), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 7710, " HN " at (95.985, 97.139, 33.854), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 7711, " CA " at (97.091, 96.257, 32.218), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 7712, " C  " at (97.895, 95.025, 32.533), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 7713, " O  " at (98.202, 94.764, 33.694), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 7714, " CB " at (97.994, 97.487, 32.228), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 7715, " CG " at (98.956, 97.536, 31.087), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 7716, " CD1" at (98.518, 97.853, 29.810), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 7717, " CD2" at (100.311, 97.286, 31.289), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 7718, " CE1" at (99.421, 97.912, 28.743), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 7719, " CE2" at (101.204, 97.332, 30.237), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 7720, " CZ " at (100.769, 97.650, 28.958), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 7721, " N  " at (98.227, 94.258, 31.506), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 7722, " HN " at (97.973, 94.544, 30.560), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 7723, " CA " at (98.956, 93.003, 31.712), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 7724, " C  " at (100.337, 93.178, 32.352), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 7725, " O  " at (101.140, 93.974, 31.897), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 7726, " CB " at (99.098, 92.245, 30.384), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 7727, " OG " at (99.930, 91.097, 30.557), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 7728, " HG " at (100.018, 90.628, 29.735), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 7729, " N  " at (100.612, 92.392, 33.386), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 7730, " HN " at (99.879, 91.779, 33.744), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 7731, " CA " at (101.926, 92.370, 34.034), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 7732, " C  " at (102.993, 91.713, 33.138), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 7733, " O  " at (104.182, 91.761, 33.444), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 7734, " CB " at (101.853, 91.654, 35.407), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 7735, " CG " at (101.591, 90.157, 35.311), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 7736, " CD " at (101.327, 89.489, 36.658), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 7737, " NE2" at (100.069, 89.111, 36.907), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 7738, "1HE2" at (99.301, 89.283, 36.258), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 7739, "2HE2" at (99.893, 88.665, 37.807), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 7740, " OE1" at (102.258, 89.280, 37.445), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 7741, " N  " at (102.561, 91.104, 32.036), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 7742, " HN " at (101.578, 91.192, 31.779), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 7743, " CA " at (103.442, 90.316, 31.184), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 7744, " C  " at (103.855, 91.069, 29.955), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 7745, " O  " at (104.739, 90.638, 29.227), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 7746, " CB " at (102.791, 88.981, 30.822), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 7747, " CG " at (102.516, 88.141, 32.053), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 7748, " CD1" at (103.548, 87.809, 32.937), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 7749, " CD2" at (101.217, 87.739, 32.366), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 7750, " CE1" at (103.290, 87.046, 34.103), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 7751, " CE2" at (100.941, 86.990, 33.518), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 7752, " CZ " at (101.991, 86.654, 34.383), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 7753, " OH " at (101.755, 85.903, 35.522), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 7754, " HH " at (102.467, 85.675, 36.108), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 7755, " N  " at (103.225, 92.213, 29.741), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 7756, " HN " at (102.405, 92.438, 30.304), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 7757, " CA " at (103.660, 93.149, 28.739), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 7758, " C  " at (105.133, 93.559, 28.895), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 7759, " O  " at (105.689, 93.557, 29.991), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 7760, " CB " at (102.773, 94.394, 28.778), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 7761, " OG " at (103.099, 95.268, 27.722), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 7762, " HG " at (102.548, 96.041, 27.746), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 7763, " N  " at (105.747, 93.902, 27.769), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 7764, " HN " at (105.235, 93.792, 26.894), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 7765, " CA " at (107.101, 94.424, 27.704), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 7766, " C  " at (107.088, 95.894, 28.122), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 7767, " O  " at (108.147, 96.507, 28.338), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 7768, " CB " at (107.566, 94.368, 26.263), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 7769, " CG " at (108.466, 93.226, 25.928), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 7770, " CD " at (108.963, 93.295, 24.494), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 7771, " NE " at (107.835, 93.534, 23.598), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 7772, " HE " at (106.896, 93.386, 23.968), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 7773, " CZ " at (107.945, 93.932, 22.332), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 7774, " NH1" at (109.164, 94.136, 21.799), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 7775, "1HH1" at (109.248, 94.441, 20.829), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 7776, "2HH1" at (110.009, 94.003, 22.355), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 7777, " NH2" at (106.830, 94.108, 21.598), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 7778, "1HH2" at (106.914, 94.413, 20.628), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 7779, "2HH2" at (105.906, 93.953, 22.002), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 7780, " N  " at (105.884, 96.457, 28.196), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 7781, " HN " at (105.058, 95.877, 28.049), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 7782, " CA " at (105.708, 97.870, 28.479), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 7783, " C  " at (105.042, 98.071, 29.824), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 7784, " O  " at (104.435, 97.136, 30.367), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 7785, " CB " at (104.912, 98.528, 27.353), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 7786, " CG " at (105.568, 98.371, 25.992), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 7787, " CD1" at (106.499, 99.313, 25.540), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 7788, " CD2" at (105.270, 97.269, 25.177), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 7789, " CE1" at (107.117, 99.164, 24.295), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 7790, " CE2" at (105.876, 97.109, 23.933), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 7791, " CZ " at (106.814, 98.049, 23.503), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 7792, " N  " at (105.211, 99.264, 30.387), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 7793, " HN " at (105.869, 99.920, 29.966), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 7794, " CA " at (104.486, 99.663, 31.585), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 7795, " C  " at (103.828, 101.019, 31.341), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 7796, " O  " at (104.344, 101.845, 30.560), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 7797, " CB " at (105.386, 99.715, 32.805), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 7798, " CG " at (106.566, 100.667, 32.692), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 7799, " CD " at (107.470, 100.625, 33.913), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 7800, " OE1" at (107.026, 100.114, 34.971), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 7801, " OE2" at (108.641, 101.087, 33.818), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 7802, " N  " at (102.690, 101.237, 31.988), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 7803, " HN " at (102.304, 100.507, 32.587), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 7804, " CA " at (101.989, 102.498, 31.855), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 7805, " C  " at (102.378, 103.436, 32.983), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 7806, " O  " at (102.348, 103.074, 34.156), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 7807, " CB " at (100.464, 102.261, 31.817), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 7808, " CG1" at (100.087, 101.536, 30.524), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 7809, " CG2" at (99.711, 103.572, 31.948), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 7810, " CD1" at (98.618, 101.143, 30.426), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 7811, " N  " at (102.773, 104.644, 32.615), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 7812, " HN " at (102.818, 104.878, 31.623), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 7813, " CA " at (103.145, 105.646, 33.607), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 7814, " C  " at (101.934, 106.496, 34.008), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 7815, " O  " at (101.760, 106.821, 35.184), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 7816, " CB " at (104.280, 106.520, 33.077), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 7817, " CG " at (105.535, 105.734, 32.659), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 7818, " CD1" at (106.516, 106.648, 31.962), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 7819, " CD2" at (106.203, 105.017, 33.865), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 7820, " N  " at (101.090, 106.813, 33.019), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 7821, " HN " at (101.245, 106.407, 32.096), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 7822, " CA " at (99.960, 107.712, 33.203), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 7823, " C  " at (98.974, 107.674, 32.041), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 7824, " O  " at (99.361, 107.486, 30.881), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 7825, " CB " at (100.457, 109.154, 33.388), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 7826, " CG " at (99.590, 109.965, 34.357), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 7827, " OD1" at (98.481, 109.530, 34.740), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 7828, " OD2" at (99.946, 111.085, 34.781), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 7829, " N  " at (97.694, 107.830, 32.367), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 7830, " HN " at (97.437, 107.837, 33.354), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 7831, " CA " at (96.640, 107.992, 31.363), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 7832, " C  " at (95.853, 109.247, 31.723), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 7833, " O  " at (95.344, 109.373, 32.846), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 7834, " CB " at (95.687, 106.767, 31.305), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 7835, " CG1" at (94.660, 106.929, 30.184), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 7836, " CG2" at (96.465, 105.475, 31.123), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 7837, " N  " at (95.829, 110.215, 30.815), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 7838, " HN " at (96.407, 110.129, 29.979), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 7839, " CA " at (94.992, 111.401, 30.988), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 7840, " C  " at (93.993, 111.539, 29.826), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 7841, " O  " at (94.246, 111.100, 28.700), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 7842, " CB " at (95.827, 112.693, 31.163), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 7843, " CG2" at (96.694, 112.654, 32.431), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 7844, " OG1" at (96.780, 112.789, 30.108), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 7845, " HG1" at (97.292, 113.582, 30.215), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 7846, " N  " at (92.824, 112.082, 30.108), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 7847, " HN " at (92.632, 112.410, 31.054), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 7848, " CA " at (91.807, 112.215, 29.074), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 7849, " C  " at (91.556, 113.716, 28.892), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 7850, " O  " at (91.473, 114.455, 29.886), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 7851, " CB " at (90.535, 111.410, 29.445), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 7852, " CG " at (90.780, 109.967, 30.041), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 7853, " CD " at (89.879, 108.813, 29.466), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 7854, " NE2" at (90.493, 107.611, 29.262), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 7855, "1HE2" at (91.483, 107.461, 29.456), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 7856, "2HE2" at (89.909, 106.863, 28.889), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 7857, " OE1" at (88.656, 108.998, 29.226), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 7858, " N  " at (91.535, 114.196, 27.650), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 7859, " HN " at (91.762, 113.580, 26.869), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 7860, " CA " at (91.188, 115.609, 27.386), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 7861, " C  " at (90.011, 115.691, 26.410), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 7862, " O  " at (89.913, 114.875, 25.492), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 7863, " CB " at (92.371, 116.372, 26.801), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 7864, " CG " at (92.372, 117.908, 27.151), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 7865, " CD " at (93.537, 118.681, 26.497), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 7866, " CE " at (93.468, 118.623, 24.969), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 7867, " NZ " at (93.605, 119.968, 24.354), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 7868, " HZ1" at (93.559, 119.929, 23.336), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 7869, " HZ2" at (94.456, 120.434, 24.669), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 7870, " HZ3" at (92.916, 120.619, 24.731), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 7871, " N  " at (89.106, 116.654, 26.577), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 7872, " HN " at (89.164, 117.307, 27.359), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 7873, " CA " at (88.026, 116.738, 25.596), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 7874, " C  " at (87.922, 117.996, 24.749), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 7875, " O  " at (88.064, 119.121, 25.234), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 7876, " CB " at (86.686, 116.270, 26.167), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 7877, " CG " at (85.966, 117.244, 27.062), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 7878, " CD " at (84.485, 117.212, 26.719), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 7879, " CE " at (84.285, 117.216, 25.212), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 7880, " NZ " at (82.871, 116.914, 24.947), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 7881, " HZ1" at (82.737, 116.917, 23.936), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 7882, " HZ2" at (82.233, 117.545, 25.433), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 7883, " HZ3" at (82.562, 116.046, 25.385), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 7884, " N  " at (87.688, 117.776, 23.463), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 7885, " HN " at (87.416, 116.838, 23.168), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 7886, " CA " at (87.803, 118.813, 22.462), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 7887, " C  " at (86.545, 118.947, 21.644), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 7888, " O  " at (85.695, 118.064, 21.666), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 7889, " CB " at (88.975, 118.511, 21.539), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 7890, " CG " at (90.232, 118.299, 22.291), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 7891, " ND2" at (90.668, 117.034, 22.412), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 7892, "1HD2" at (91.534, 116.888, 22.930), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 7893, "2HD2" at (90.199, 116.240, 21.976), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 7894, " OD1" at (90.792, 119.246, 22.811), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 7895, " N  " at (86.469, 120.055, 20.916), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 7896, " HN " at (87.285, 120.668, 20.908), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 7897, " CA " at (85.323, 120.463, 20.134), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 7898, " C  " at (85.947, 121.070, 18.855), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 7899, " O  " at (86.555, 122.158, 18.900), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 7900, " CB " at (84.532, 121.496, 20.958), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 7901, " OG " at (83.142, 121.523, 20.678), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 7902, " HG " at (82.654, 122.160, 21.186), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 7903, " N  " at (85.854, 120.344, 17.734), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 7904, " HN " at (85.283, 119.499, 17.740), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 7905, " CA " at (86.549, 120.724, 16.491), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 7906, " C  " at (85.578, 120.927, 15.324), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 7907, " O  " at (84.561, 120.225, 15.222), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 7908, " CB " at (87.631, 119.670, 16.066), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 7909, " CG1" at (88.564, 120.225, 15.000), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 7910, " CG2" at (88.457, 119.183, 17.249), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 7911, " N  " at (85.889, 121.905, 14.467), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 7912, " HN " at (86.668, 122.523, 14.694), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 7913, " CA " at (85.162, 122.127, 13.221), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 7914, " C  " at (86.038, 121.667, 12.064), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 7915, " O  " at (87.104, 122.241, 11.820), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 7916, " CB " at (84.768, 123.608, 13.074), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 7917, " CG2" at (84.128, 123.897, 11.700), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 7918, " OG1" at (83.712, 123.899, 14.000), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 7919, " HG1" at (84.106, 123.721, 14.846), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 7920, " N  " at (85.595, 120.622, 11.368), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 7921, " HN " at (84.716, 120.184, 11.642), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 7922, " CA " at (86.328, 120.081, 10.222), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 7923, " C  " at (85.955, 120.775, 8.893), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 7924, " O  " at (84.818, 121.232, 8.739), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 7925, " CB " at (86.124, 118.566, 10.136), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 7926, " CG " at (86.581, 117.848, 11.392), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 7927, " CD1" at (85.700, 117.616, 12.438), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 7928, " CD2" at (87.892, 117.443, 11.538), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 7929, " CE1" at (86.104, 116.962, 13.581), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 7930, " CE2" at (88.319, 116.791, 12.673), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 7931, " CZ " at (87.412, 116.536, 13.698), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 7932, " OH " at (87.820, 115.920, 14.868), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 7933, " HH " at (88.720, 115.627, 14.949), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 7934, " N  " at (86.895, 120.829, 7.944), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 7935, " HN " at (87.785, 120.357, 8.103), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 7936, " CA " at (86.687, 121.546, 6.679), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 7937, " C  " at (85.456, 121.104, 5.869), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 7938, " O  " at (84.909, 121.876, 5.071), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 7939, " CB " at (87.932, 121.468, 5.800), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 7940, " OG " at (88.431, 122.786, 5.561), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 7941, " HG " at (89.206, 122.737, 5.014), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 7942, " N  " at (85.032, 119.867, 6.101), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 7943, " HN " at (85.503, 119.324, 6.825), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 7944, " CA " at (83.940, 119.247, 5.384), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 7945, " C  " at (82.568, 119.843, 5.707), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 7946, " O  " at (81.663, 119.810, 4.869), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 7947, " CB " at (83.898, 117.760, 5.772), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 7948, " SG " at (83.261, 117.502, 7.440), DEBUG: found_parm->rec_index = 5 was assigned atom type "SA" (rec_index= 5, atom_type= 5).
-Atom no. 7949, " N  " at (82.411, 120.351, 6.935), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 7950, " HN " at (83.240, 120.615, 7.468), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 7951, " CA " at (81.092, 120.542, 7.542), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 7952, " C  " at (81.118, 121.731, 8.504), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 7953, " O  " at (82.148, 122.000, 9.100), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 7954, " CB " at (80.665, 119.256, 8.278), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 7955, " SG " at (81.188, 117.641, 7.555), DEBUG: found_parm->rec_index = 5 was assigned atom type "SA" (rec_index= 5, atom_type= 5).
-Atom no. 7956, " N  " at (80.004, 122.432, 8.682), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 7957, " CA " at (80.013, 123.697, 9.446), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 7958, " C  " at (79.846, 123.557, 10.970), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 7959, " O  " at (80.189, 124.488, 11.690), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 7960, " CB " at (78.835, 124.475, 8.850), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 7961, " CG " at (77.880, 123.389, 8.287), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 7962, " CD " at (78.657, 122.090, 8.190), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 7963, " N  " at (79.332, 122.424, 11.441), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 7964, " HN " at (79.060, 121.695, 10.781), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 7965, " CA " at (79.143, 122.187, 12.867), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 7966, " C  " at (80.394, 121.593, 13.518), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 7967, " O  " at (81.269, 121.047, 12.840), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 7968, " CB " at (77.954, 121.261, 13.122), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 7969, " CG " at (76.664, 121.623, 12.410), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 7970, " CD " at (75.789, 122.577, 13.216), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 7971, " OE1" at (75.212, 122.134, 14.239), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 7972, " OE2" at (75.681, 123.780, 12.832), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 7973, " N  " at (80.459, 121.713, 14.839), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 7974, " HN " at (79.688, 122.184, 15.313), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 7975, " CA " at (81.562, 121.215, 15.660), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 7976, " C  " at (81.270, 119.790, 16.088), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 7977, " O  " at (80.134, 119.466, 16.391), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 7978, " CB " at (81.729, 122.116, 16.902), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 7979, " N  " at (82.311, 118.958, 16.120), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 7980, " HN " at (83.219, 119.315, 15.823), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 7981, " CA " at (82.231, 117.569, 16.554), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 7982, " C  " at (83.082, 117.423, 17.786), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 7983, " O  " at (84.207, 117.897, 17.824), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 7984, " CB " at (82.741, 116.617, 15.449), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 7985, " CG " at (81.861, 116.654, 14.232), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 7986, " CD1" at (81.979, 117.668, 13.279), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 7987, " CD2" at (80.873, 115.724, 14.075), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 7988, " CE1" at (81.126, 117.704, 12.169), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 7989, " CE2" at (80.015, 115.738, 12.963), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 7990, " CZ " at (80.144, 116.730, 12.029), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 7991, " OH " at (79.266, 116.733, 10.969), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 7992, " HH " at (79.356, 117.422, 10.321), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 7993, " N  " at (82.545, 116.775, 18.802), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 7994, " HN " at (81.589, 116.427, 18.730), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 7995, " CA " at (83.299, 116.553, 20.019), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 7996, " C  " at (84.131, 115.279, 19.955), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 7997, " O  " at (83.742, 114.307, 19.327), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 7998, " CB " at (82.353, 116.507, 21.214), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 7999, " CG " at (81.676, 117.843, 21.467), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 8000, " CD " at (80.900, 117.864, 22.763), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 8001, " OE1" at (81.052, 116.895, 23.545), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 8002, " OE2" at (80.159, 118.857, 23.015), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 8003, " N  " at (85.288, 115.319, 20.598), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 8004, " HN " at (85.601, 116.206, 20.992), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 8005, " CA " at (86.124, 114.151, 20.762), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 8006, " C  " at (86.731, 114.115, 22.168), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 8007, " O  " at (86.823, 115.156, 22.867), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 8008, " CB " at (87.221, 114.111, 19.701), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 8009, " CG " at (88.261, 115.219, 19.887), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 8010, " OD1" at (89.050, 115.147, 20.866), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 8011, " OD2" at (88.377, 116.190, 19.088), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 8012, " N  " at (87.088, 112.904, 22.590), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 8013, " HN " at (86.734, 112.078, 22.107), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 8014, " CA " at (87.982, 112.742, 23.737), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 8015, " C  " at (89.389, 112.336, 23.261), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 8016, " O  " at (89.546, 111.448, 22.400), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 8017, " CB " at (87.440, 111.712, 24.738), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 8018, " CG1" at (88.449, 111.503, 25.880), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 8019, " CG2" at (86.129, 112.201, 25.298), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 8020, " N  " at (90.401, 113.029, 23.771), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 8021, " HN " at (90.200, 113.834, 24.365), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 8022, " CA " at (91.790, 112.673, 23.507), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 8023, " C  " at (92.340, 111.948, 24.724), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 8024, " O  " at (92.347, 112.500, 25.825), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 8025, " CB " at (92.648, 113.889, 23.148), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 8026, " CG " at (92.663, 114.211, 21.660), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 8027, " CD " at (93.240, 115.600, 21.303), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 8028, " OE1" at (93.783, 116.289, 22.189), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 8029, " OE2" at (93.144, 116.009, 20.118), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 8030, " N  " at (92.755, 110.703, 24.514), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 8031, " HN " at (92.696, 110.320, 23.571), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 8032, " CA " at (93.291, 109.864, 25.576), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 8033, " C  " at (94.822, 109.772, 25.406), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 8034, " O  " at (95.328, 109.235, 24.417), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 8035, " CB " at (92.643, 108.471, 25.573), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 8036, " CG1" at (93.224, 107.592, 26.673), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 8037, " CG2" at (91.105, 108.597, 25.710), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 8038, " N  " at (95.546, 110.354, 26.357), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 8039, " HN " at (95.073, 110.801, 27.142), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 8040, " CA " at (97.003, 110.367, 26.300), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 8041, " C  " at (97.551, 109.218, 27.134), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 8042, " O  " at (97.408, 109.200, 28.374), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 8043, " CB " at (97.571, 111.712, 26.789), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 8044, " OG " at (97.211, 112.767, 25.898), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 8045, " HG " at (97.561, 113.597, 26.200), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 8046, " N  " at (98.166, 108.263, 26.444), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 8047, " HN " at (98.205, 108.331, 25.427), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 8048, " CA " at (98.783, 107.128, 27.101), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 8049, " C  " at (100.274, 107.364, 27.233), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 8050, " O  " at (100.990, 107.373, 26.246), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 8051, " CB " at (98.486, 105.851, 26.298), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 8052, " CG " at (99.246, 104.571, 26.615), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 8053, " CD1" at (98.842, 104.030, 27.972), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 8054, " CD2" at (98.911, 103.591, 25.510), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 8055, " N  " at (100.726, 107.549, 28.468), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 8056, " HN " at (100.055, 107.562, 29.236), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 8057, " CA " at (102.137, 107.734, 28.773), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 8058, " C  " at (102.703, 106.365, 29.176), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 8059, " O  " at (102.331, 105.783, 30.215), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 8060, " CB " at (102.322, 108.819, 29.867), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 8061, " CG " at (103.772, 109.156, 30.146), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 8062, " ND2" at (104.637, 108.973, 29.156), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 8063, "1HD2" at (105.614, 109.200, 29.344), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 8064, "2HD2" at (104.360, 108.608, 28.245), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 8065, " OD1" at (104.108, 109.600, 31.253), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 8066, " N  " at (103.611, 105.850, 28.356), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 8067, " HN " at (103.954, 106.391, 27.562), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 8068, " CA " at (104.113, 104.506, 28.601), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 8069, " C  " at (105.585, 104.365, 28.233), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 8070, " O  " at (106.125, 105.209, 27.542), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 8071, " CB " at (103.241, 103.494, 27.827), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 8072, " CG " at (103.508, 103.477, 26.348), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 8073, " CD1" at (103.005, 104.479, 25.538), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 8074, " CD2" at (104.248, 102.456, 25.766), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 8075, " CE1" at (103.238, 104.489, 24.171), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 8076, " CE2" at (104.489, 102.451, 24.400), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 8077, " CZ " at (103.987, 103.475, 23.592), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 8078, " N  " at (106.222, 103.290, 28.677), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 8079, " HN " at (105.757, 102.646, 29.316), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 8080, " CA " at (107.585, 103.035, 28.248), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 8081, " C  " at (107.935, 101.549, 28.218), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 8082, " O  " at (107.220, 100.715, 28.776), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 8083, " CB " at (108.572, 103.848, 29.085), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 8084, " CG " at (108.937, 103.239, 30.441), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 8085, " CD " at (110.345, 103.659, 30.897), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 8086, " NE " at (110.956, 102.718, 31.826), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 8087, " HE " at (111.649, 102.061, 31.466), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 8088, " CZ " at (110.657, 102.674, 33.110), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 8089, " NH1" at (109.765, 103.531, 33.622), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 8090, "1HH1" at (109.314, 104.222, 33.022), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 8091, "2HH1" at (109.534, 103.497, 34.615), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 8092, " NH2" at (111.243, 101.776, 33.889), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 8093, "1HH2" at (111.923, 101.123, 33.499), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 8094, "2HH2" at (111.012, 101.742, 34.882), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 8095, " N  " at (109.052, 101.227, 27.566), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 8096, " HN " at (109.592, 101.961, 27.107), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 8097, " CA " at (109.517, 99.851, 27.495), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 8098, " C  " at (110.265, 99.479, 28.755), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 8099, " O  " at (111.147, 100.197, 29.202), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 8100, " CB " at (110.351, 99.589, 26.244), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 8101, " CG " at (110.334, 98.091, 25.803), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 8102, " CD " at (111.531, 97.740, 24.873), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 8103, " CE " at (111.103, 97.735, 23.359), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 8104, " NZ " at (111.418, 99.026, 22.580), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 8105, " HZ1" at (111.141, 99.023, 21.598), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 8106, " HZ2" at (112.409, 99.252, 22.663), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 8107, " HZ3" at (111.010, 99.830, 23.056), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 8108, " N  " at (109.867, 98.379, 29.364), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 8109, " HN " at (109.067, 97.856, 29.007), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 8110, " CA " at (110.573, 97.916, 30.544), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 8111, " C  " at (111.922, 97.384, 30.080), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 8112, " O  " at (112.005, 96.838, 28.992), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 8113, " CB " at (109.767, 96.832, 31.282), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 8114, " CG " at (108.538, 97.375, 32.006), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 8115, " CD " at (107.330, 96.417, 31.954), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 8116, " CE " at (107.561, 95.081, 32.667), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 8117, " NZ " at (106.301, 94.254, 32.628), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 8118, " HZ1" at (106.455, 93.364, 33.103), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 8119, " HZ2" at (105.956, 94.126, 31.677), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 8120, " HZ3" at (105.500, 94.758, 33.009), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 8121, " N  " at (112.970, 97.592, 30.884), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 8122, " HN " at (112.853, 98.220, 31.679), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 8123, " CA " at (114.276, 96.965, 30.682), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 8124, " C  " at (114.295, 95.573, 31.295), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 8125, " O  " at (113.517, 95.304, 32.206), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 8126, " N  " at (115.186, 94.696, 30.824), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 8127, " HN " at (115.898, 95.011, 30.165), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 8128, " CA " at (115.159, 93.280, 31.239), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 8129, " C  " at (115.173, 93.055, 32.764), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 8130, " O  " at (114.384, 92.258, 33.278), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 8131, " CB " at (116.233, 92.441, 30.519), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 8132, " CG " at (117.686, 92.819, 30.787), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 8133, " CD " at (118.674, 92.155, 29.848), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 8134, " NE " at (119.214, 90.920, 30.434), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 8135, " HE " at (120.106, 90.985, 30.924), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 8136, " CZ " at (118.632, 89.719, 30.377), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 8137, " NH1" at (117.470, 89.540, 29.756), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 8138, "1HH1" at (117.026, 88.623, 29.712), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 8139, "2HH1" at (117.013, 90.336, 29.311), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 8140, " NH2" at (119.222, 88.691, 30.952), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 8141, "1HH2" at (118.778, 87.774, 30.908), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 8142, "2HH2" at (120.113, 88.828, 31.428), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 8143, " N  " at (116.041, 93.774, 33.474), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 8144, " HN " at (116.764, 94.301, 32.985), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 8145, " CA " at (115.987, 93.830, 34.938), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 8146, " C  " at (114.648, 94.401, 35.434), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 8147, " O  " at (113.791, 94.477, 35.077), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 8148, " CB " at (117.125, 94.679, 35.481), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 8149, " OG " at (117.032, 96.021, 35.044), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 8150, " HG " at (117.743, 96.552, 35.383), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 8151, " N  " at (55.418, 118.013, 10.737), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 8152, " HN1" at (55.189, 119.006, 10.697), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 8153, " HN2" at (54.568, 117.461, 10.852), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 8154, " HN3" at (55.721, 117.686, 9.820), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 8155, " CA " at (56.438, 117.628, 11.793), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 8156, " C  " at (56.784, 116.129, 11.853), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 8157, " O  " at (55.944, 115.275, 12.157), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 8158, " CB " at (56.075, 118.168, 13.199), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 8159, " CG " at (56.686, 117.396, 14.372), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 8160, " CD " at (57.523, 118.248, 15.329), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 8161, " OE1" at (56.941, 119.054, 16.098), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 8162, " OE2" at (58.771, 118.090, 15.346), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 8163, " N  " at (58.047, 115.841, 11.571), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 8164, " HN " at (58.652, 116.588, 11.229), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 8165, " CA " at (58.609, 114.512, 11.727), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 8166, " C  " at (59.722, 114.562, 12.747), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 8167, " O  " at (60.491, 115.521, 12.775), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 8168, " CB " at (59.250, 114.034, 10.416), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 8169, " CG " at (58.386, 114.211, 9.212), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 8170, " CD1" at (57.290, 113.378, 9.003), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 8171, " CD2" at (58.661, 115.207, 8.279), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 8172, " CE1" at (56.478, 113.538, 7.870), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 8173, " CE2" at (57.851, 115.378, 7.151), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 8174, " CZ " at (56.763, 114.542, 6.945), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 8175, " N  " at (59.841, 113.518, 13.555), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 8176, " HN " at (59.088, 112.833, 13.618), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 8177, " CA " at (61.053, 113.349, 14.356), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 8178, " C  " at (62.065, 112.431, 13.633), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 8179, " O  " at (61.783, 111.886, 12.557), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 8180, " CB " at (60.733, 112.882, 15.788), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 8181, " CG " at (60.101, 111.513, 15.845), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 8182, " OD1" at (60.148, 110.759, 14.868), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 8183, " OD2" at (59.516, 111.087, 16.846), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 8184, " N  " at (63.253, 112.287, 14.220), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 8185, " HN " at (63.418, 112.724, 15.127), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 8186, " CA " at (64.314, 111.524, 13.598), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 8187, " C  " at (63.865, 110.111, 13.291), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 8188, " O  " at (64.170, 109.577, 12.226), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 8189, " CB " at (65.551, 111.483, 14.492), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 8190, " CG " at (66.509, 112.616, 14.237), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 8191, " CD " at (67.428, 112.916, 15.401), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 8192, " NE " at (68.239, 114.086, 15.111), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 8193, " HE " at (69.009, 113.969, 14.452), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 8194, " CZ " at (68.061, 115.304, 15.635), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 8195, " NH1" at (67.080, 115.557, 16.514), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 8196, "1HH1" at (66.454, 114.801, 16.792), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 8197, "2HH1" at (66.944, 116.486, 16.914), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 8198, " NH2" at (68.880, 116.292, 15.272), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 8199, "1HH2" at (69.626, 116.100, 14.604), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 8200, "2HH2" at (68.744, 117.221, 15.672), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 8201, " N  " at (63.103, 109.530, 14.218), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 8202, " HN " at (62.883, 110.049, 15.068), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 8203, " CA " at (62.575, 108.187, 14.063), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 8204, " C  " at (61.713, 108.073, 12.809), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 8205, " O  " at (61.868, 107.113, 12.071), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 8206, " CB " at (61.787, 107.775, 15.306), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 8207, " N  " at (60.835, 109.051, 12.577), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 8208, " HN " at (60.772, 109.817, 13.247), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 8209, " CA " at (59.953, 109.075, 11.399), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 8210, " C  " at (60.763, 109.228, 10.125), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 8211, " O  " at (60.551, 108.484, 9.143), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 8212, " CB " at (58.938, 110.225, 11.463), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 8213, " CG " at (58.001, 110.123, 12.639), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 8214, " OD1" at (57.727, 108.977, 13.096), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 8215, " OD2" at (57.479, 111.146, 13.166), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 8216, " N  " at (61.685, 110.186, 10.119), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 8217, " HN " at (61.810, 110.772, 10.944), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 8218, " CA " at (62.524, 110.408, 8.935), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 8219, " C  " at (63.248, 109.093, 8.582), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 8220, " O  " at (63.254, 108.665, 7.427), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 8221, " CB " at (63.535, 111.586, 9.181), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 8222, " CG1" at (62.795, 112.918, 9.431), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 8223, " CG2" at (64.538, 111.727, 8.045), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 8224, " CD1" at (63.641, 113.947, 10.186), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 8225, " N  " at (63.843, 108.451, 9.589), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 8226, " HN " at (63.733, 108.792, 10.544), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 8227, " CA " at (64.654, 107.257, 9.330), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 8228, " C  " at (63.800, 106.059, 8.929), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 8229, " O  " at (64.174, 105.296, 8.056), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 8230, " CB " at (65.570, 106.940, 10.511), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 8231, " CG " at (66.738, 107.947, 10.629), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 8232, " CD1" at (67.202, 108.058, 12.042), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 8233, " CD2" at (67.860, 107.520, 9.745), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 8234, " N  " at (62.627, 105.945, 9.529), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 8235, " HN " at (62.416, 106.566, 10.310), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 8236, " CA " at (61.627, 104.975, 9.124), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 8237, " C  " at (61.223, 105.164, 7.673), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 8238, " O  " at (61.227, 104.217, 6.899), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 8239, " CB " at (60.390, 105.069, 10.045), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 8240, " CG " at (59.271, 104.103, 9.701), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 8241, " CD1" at (59.414, 102.724, 9.910), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 8242, " CD2" at (58.076, 104.565, 9.154), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 8243, " CE1" at (58.383, 101.840, 9.609), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 8244, " CE2" at (57.023, 103.683, 8.834), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 8245, " CZ " at (57.186, 102.318, 9.067), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 8246, " OH " at (56.145, 101.421, 8.757), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 8247, " HH " at (56.256, 100.491, 8.916), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 8248, " N  " at (60.870, 106.391, 7.312), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 8249, " HN " at (60.899, 107.148, 7.995), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 8250, " CA " at (60.438, 106.666, 5.937), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 8251, " C  " at (61.527, 106.358, 4.887), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 8252, " O  " at (61.236, 105.758, 3.835), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 8253, " CB " at (59.917, 108.086, 5.808), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 8254, " CG " at (58.610, 108.282, 6.522), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 8255, " ND2" at (58.262, 109.532, 6.748), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 8256, "1HD2" at (57.375, 109.665, 7.233), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 8257, "2HD2" at (58.828, 110.326, 6.447), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 8258, " OD1" at (57.921, 107.316, 6.888), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 8259, " N  " at (62.768, 106.741, 5.193), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 8260, " HN " at (62.918, 107.259, 6.059), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 8261, " CA " at (63.915, 106.455, 4.350), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 8262, " C  " at (64.127, 104.943, 4.254), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 8263, " O  " at (64.272, 104.413, 3.171), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 8264, " CB " at (65.190, 107.134, 4.883), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 8265, " CG1" at (65.140, 108.644, 4.603), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 8266, " CG2" at (66.446, 106.502, 4.242), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 8267, " CD1" at (66.194, 109.446, 5.319), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 8268, " N  " at (64.153, 104.263, 5.388), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 8269, " HN " at (64.068, 104.763, 6.273), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 8270, " CA " at (64.299, 102.835, 5.398), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 8271, " C  " at (63.190, 102.121, 4.624), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 8272, " O  " at (63.470, 101.169, 3.908), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 8273, " CB " at (64.344, 102.320, 6.821), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 8274, " CG " at (65.106, 101.032, 6.930), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 8275, " CD " at (65.299, 100.564, 8.382), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 8276, " NE " at (66.018, 99.286, 8.434), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 8277, " HE " at (66.913, 99.229, 7.948), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 8278, " CZ " at (65.589, 98.186, 9.072), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 8279, " NH1" at (64.428, 98.185, 9.735), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 8280, "1HH1" at (64.102, 97.349, 10.220), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 8281, "2HH1" at (63.862, 99.033, 9.758), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 8282, " NH2" at (66.329, 97.076, 9.042), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 8283, "1HH2" at (66.003, 96.240, 9.527), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 8284, "2HH2" at (67.215, 97.077, 8.536), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 8285, " N  " at (61.951, 102.588, 4.739), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 8286, " HN " at (61.780, 103.429, 5.290), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 8287, " CA " at (60.828, 101.911, 4.086), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 8288, " C  " at (60.758, 102.104, 2.581), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 8289, " O  " at (60.191, 101.292, 1.876), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 8290, " CB " at (59.481, 102.237, 4.789), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 8291, " CG " at (59.254, 101.374, 6.020), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 8292, " CD " at (59.052, 99.890, 5.679), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 8293, " NE2" at (60.121, 99.107, 5.750), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 8294, "1HE2" at (61.039, 99.452, 6.031), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 8295, "2HE2" at (59.987, 98.122, 5.524), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 8296, " OE1" at (57.928, 99.467, 5.335), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 8297, " N  " at (61.405, 103.143, 2.088), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 8298, " HN " at (61.953, 103.726, 2.720), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 8299, " CA " at (61.365, 103.485, 0.679), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 8300, " C  " at (62.782, 103.608, 0.125), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 8301, " O  " at (62.989, 104.054, -1.015), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 8302, " CB " at (60.574, 104.797, 0.474), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 8303, " CG2" at (59.179, 104.650, 1.060), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 8304, " OG1" at (61.163, 105.846, 1.267), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 8305, " HG1" at (60.677, 106.652, 1.141), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 8306, " N  " at (63.756, 103.188, 0.937), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 8307, " HN " at (63.540, 103.012, 1.918), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 8308, " CA " at (65.132, 102.972, 0.459), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 8309, " C  " at (65.062, 102.148, -0.811), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 8310, " O  " at (64.515, 101.024, -0.808), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 8311, " CB " at (65.992, 102.258, 1.508), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 8312, " OG " at (65.511, 100.942, 1.772), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 8313, " HG " at (66.044, 100.500, 2.422), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 8314, " N  " at (65.527, 102.744, -1.906), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 8315, " HN " at (65.766, 103.735, -1.874), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 8316, " CA " at (65.702, 102.003, -3.154), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 8317, " C  " at (67.223, 101.950, -3.405), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 8318, " O  " at (67.745, 102.644, -4.295), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 8319, " CB " at (64.971, 102.728, -4.284), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 8320, " CG " at (63.503, 102.343, -4.480), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 8321, " CD " at (63.228, 100.842, -4.358), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 8322, " NE " at (63.682, 100.101, -5.551), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 8323, " HE " at (64.621, 99.704, -5.530), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 8324, " CZ " at (62.949, 99.909, -6.666), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 8325, " NH1" at (61.720, 100.396, -6.753), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 8326, "1HH1" at (61.165, 100.251, -7.597), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 8327, "2HH1" at (61.340, 100.930, -5.971), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 8328, " NH2" at (63.445, 99.213, -7.685), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 8329, "1HH2" at (62.890, 99.068, -8.529), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 8330, "2HH2" at (64.391, 98.838, -7.618), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 8331, " N  " at (67.917, 101.157, -2.585), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 8332, " CA " at (69.397, 101.157, -2.518), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 8333, " C  " at (70.129, 100.815, -3.839), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 8334, " O  " at (71.277, 101.270, -4.028), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 8335, " CB " at (69.715, 100.088, -1.443), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 8336, " CG " at (68.433, 99.965, -0.605), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 8337, " CD " at (67.312, 100.225, -1.607), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 8338, " N  " at (69.471, 100.041, -4.697), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 8339, " HN " at (68.536, 99.725, -4.439), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 8340, " CA " at (70.005, 99.618, -5.981), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 8341, " C  " at (69.618, 100.555, -7.103), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 8342, " O  " at (69.944, 100.299, -8.260), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 8343, " CB " at (69.452, 98.235, -6.371), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 8344, " CG " at (69.716, 97.175, -5.327), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 8345, " OD1" at (70.673, 97.347, -4.516), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 8346, " OD2" at (69.024, 96.116, -5.255), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 8347, " N  " at (68.863, 101.595, -6.804), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 8348, " HN " at (68.619, 101.802, -5.836), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 8349, " CA " at (68.389, 102.437, -7.887), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 8350, " C  " at (69.180, 103.730, -7.885), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 8351, " O  " at (69.094, 104.506, -6.957), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 8352, " CB " at (66.869, 102.679, -7.805), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 8353, " CG1" at (66.428, 103.538, -8.939), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 8354, " CG2" at (66.110, 101.343, -7.776), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 8355, " N  " at (69.963, 103.944, -8.928), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 8356, " HN " at (70.089, 103.203, -9.617), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 8357, " CA " at (70.655, 105.225, -9.117), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 8358, " C  " at (69.622, 106.388, -9.224), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 8359, " O  " at (68.664, 106.298, -9.996), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 8360, " CB " at (71.598, 105.156, -10.353), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 8361, " CG1" at (72.380, 106.473, -10.537), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 8362, " CG2" at (70.829, 104.736, -11.627), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 8363, " CD1" at (73.442, 106.407, -11.606), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 8364, " N  " at (69.788, 107.434, -8.413), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 8365, " CA " at (68.799, 108.520, -8.327), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 8366, " C  " at (68.966, 109.497, -9.483), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 8367, " O  " at (69.154, 110.695, -9.299), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 8368, " CB " at (69.152, 109.191, -7.000), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 8369, " CG " at (70.637, 109.018, -6.893), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 8370, " CD " at (70.903, 107.659, -7.477), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 8371, " N  " at (68.934, 108.948, -10.681), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 8372, " HN " at (68.921, 107.930, -10.743), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 8373, " CA " at (68.916, 109.709, -11.915), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 8374, " C  " at (67.618, 110.551, -12.011), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 8375, " O  " at (66.540, 110.092, -11.637), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 8376, " CB " at (69.018, 108.698, -13.073), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 8377, " CG2" at (68.126, 109.088, -14.224), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 8378, " OG1" at (70.351, 108.708, -13.636), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 8379, " HG1" at (70.414, 108.085, -14.350), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 8380, " N  " at (67.724, 111.780, -12.505), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 8381, " HN " at (68.651, 112.166, -12.682), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 8382, " CA " at (66.548, 112.591, -12.800), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 8383, " C  " at (66.471, 112.769, -14.313), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 8384, " O  " at (67.490, 113.056, -14.962), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 8385, " CB " at (66.644, 113.961, -12.123), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 8386, " CG " at (66.789, 113.944, -10.605), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 8387, " CD " at (65.492, 114.339, -9.902), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 8388, " NE2" at (64.473, 113.474, -10.010), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 8389, "1HE2" at (63.607, 113.738, -9.540), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 8390, "2HE2" at (64.543, 112.596, -10.524), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 8391, " OE1" at (65.407, 115.410, -9.275), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 8392, " N  " at (65.288, 112.562, -14.884), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 8393, " HN " at (64.508, 112.228, -14.318), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 8394, " CA " at (65.089, 112.806, -16.309), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 8395, " C  " at (66.340, 112.513, -17.166), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 8396, " O  " at (66.808, 113.393, -17.910), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 8397, " CB " at (64.660, 114.267, -16.509), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 8398, " CG " at (63.653, 114.486, -17.614), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 8399, " CD " at (63.514, 115.941, -18.016), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 8400, " NE " at (62.300, 116.533, -17.454), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 8401, " HE " at (62.182, 116.502, -16.441), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 8402, " CZ " at (61.339, 117.109, -18.171), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 8403, " NH1" at (61.450, 117.189, -19.495), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 8404, "1HH1" at (62.270, 116.806, -19.965), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 8405, "2HH1" at (60.713, 117.631, -20.045), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 8406, " NH2" at (60.267, 117.610, -17.557), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 8407, "1HH2" at (60.182, 117.549, -16.542), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 8408, "2HH2" at (59.530, 118.052, -18.107), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 8409, " N  " at (66.884, 111.298, -17.040), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 8410, " HN " at (66.520, 110.680, -16.315), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 8411, " CA " at (67.990, 110.798, -17.898), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 8412, " C  " at (69.337, 111.592, -17.888), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 8413, " O  " at (70.125, 111.525, -18.852), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 8414, " CB " at (67.502, 110.535, -19.340), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 8415, " CG " at (67.492, 111.799, -20.213), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 8416, " OD1" at (68.544, 112.129, -20.828), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 8417, " OD2" at (66.466, 112.514, -20.370), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 8418, " N  " at (69.592, 112.320, -16.796), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 8419, " HN " at (68.941, 112.282, -16.011), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 8420, " CA " at (70.781, 113.172, -16.695), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 8421, " C  " at (71.639, 112.678, -15.538), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 8422, " O  " at (71.099, 112.279, -14.501), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 8423, " CB " at (70.405, 114.645, -16.515), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 8424, " CG " at (70.641, 115.522, -17.769), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 8425, " CD " at (71.670, 116.659, -17.577), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 8426, " NE " at (71.842, 117.484, -18.781), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 8427, " HE " at (72.592, 117.227, -19.423), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 8428, " CZ " at (71.092, 118.548, -19.103), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 8429, " NH1" at (70.098, 118.952, -18.311), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 8430, "1HH1" at (69.528, 119.761, -18.556), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 8431, "2HH1" at (69.909, 118.440, -17.450), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 8432, " NH2" at (71.339, 119.217, -20.228), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 8433, "1HH2" at (70.769, 120.026, -20.473), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 8434, "2HH2" at (72.099, 118.908, -20.834), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 8435, " N  " at (72.967, 112.734, -15.698), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 8436, " CA " at (73.860, 111.973, -14.807), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 8437, " C  " at (73.748, 112.453, -13.364), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 8438, " O  " at (73.475, 113.625, -13.132), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 8439, " CB " at (75.266, 112.241, -15.371), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 8440, " CG " at (75.131, 113.530, -16.235), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 8441, " CD " at (73.703, 113.568, -16.681), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 8442, " N  " at (73.911, 111.539, -12.411), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 8443, " HN " at (73.932, 110.553, -12.673), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 8444, " CA " at (74.060, 111.895, -11.013), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 8445, " C  " at (75.454, 112.512, -10.854), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 8446, " O  " at (76.447, 111.846, -11.152), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 8447, " CB " at (73.940, 110.643, -10.103), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 8448, " CG1" at (74.234, 110.994, -8.646), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 8449, " CG2" at (72.553, 110.019, -10.210), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 8450, " N  " at (75.522, 113.782, -10.436), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 8451, " HN " at (74.658, 114.302, -10.281), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 8452, " CA " at (76.805, 114.441, -10.197), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 8453, " C  " at (77.372, 114.048, -8.840), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 8454, " O  " at (76.801, 114.363, -7.789), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 8455, " CB " at (76.703, 115.966, -10.307), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 8456, " N  " at (78.507, 113.364, -8.882), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 8457, " HN " at (78.926, 113.162, -9.790), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 8458, " CA " at (79.170, 112.896, -7.690), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 8459, " C  " at (80.481, 113.647, -7.501), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 8460, " O  " at (81.300, 113.720, -8.408), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 8461, " CB " at (79.461, 111.359, -7.782), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 8462, " CG1" at (80.202, 110.888, -6.564), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 8463, " CG2" at (78.193, 110.614, -7.916), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 8464, " N  " at (80.684, 114.200, -6.320), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 8465, " HN " at (79.947, 114.159, -5.616), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 8466, " CA " at (81.929, 114.862, -6.004), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 8467, " C  " at (82.738, 113.939, -5.125), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 8468, " O  " at (82.185, 113.314, -4.188), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 8469, " CB " at (81.690, 116.195, -5.279), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 8470, " OG " at (80.945, 117.084, -6.107), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 8471, " HG " at (80.797, 117.908, -5.659), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 8472, " N  " at (84.024, 113.828, -5.449), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 8473, " HN " at (84.363, 114.313, -6.280), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 8474, " CA " at (84.960, 113.048, -4.672), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 8475, " C  " at (86.202, 113.852, -4.364), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 8476, " O  " at (86.723, 114.583, -5.198), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 8477, " CB " at (85.449, 111.770, -5.383), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 8478, " CG1" at (85.795, 110.702, -4.330), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 8479, " CG2" at (84.437, 111.241, -6.360), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 8480, " N  " at (86.696, 113.668, -3.156), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 8481, " HN " at (86.225, 113.020, -2.525), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 8482, " CA " at (87.880, 114.351, -2.695), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 8483, " C  " at (88.528, 113.448, -1.666), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 8484, " O  " at (87.827, 112.912, -0.780), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 8485, " CB " at (87.469, 115.661, -2.049), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 8486, " OG " at (88.588, 116.239, -1.423), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 8487, " HG " at (88.331, 117.059, -1.019), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 8488, " N  " at (89.838, 113.242, -1.789), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 8489, " HN " at (90.350, 113.683, -2.553), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 8490, " CA " at (90.547, 112.389, -0.838), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 8491, " C  " at (91.273, 113.267, 0.155), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 8492, " O  " at (92.056, 114.136, -0.247), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 8493, " CB " at (91.503, 111.430, -1.539), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 8494, " CG " at (90.977, 110.477, -2.635), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 8495, " CD1" at (92.041, 109.499, -3.033), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 8496, " CD2" at (89.739, 109.735, -2.227), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 8497, " N  " at (90.998, 113.083, 1.449), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 8498, " HN " at (90.240, 112.457, 1.719), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 8499, " CA " at (91.773, 113.770, 2.483), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 8500, " C  " at (92.752, 112.805, 3.098), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 8501, " O  " at (92.373, 111.913, 3.860), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 8502, " CB " at (90.877, 114.352, 3.587), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 8503, " CG " at (89.603, 114.990, 3.076), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 8504, " CD " at (89.870, 116.358, 2.523), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 8505, " CE " at (88.652, 116.886, 1.755), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 8506, " NZ " at (88.932, 118.211, 1.087), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 8507, " HZ1" at (88.122, 118.562, 0.576), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 8508, " HZ2" at (89.753, 118.155, 0.484), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 8509, " HZ3" at (89.272, 118.899, 1.759), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 8510, " N  " at (94.020, 112.987, 2.777), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 8511, " HN " at (94.291, 113.798, 2.220), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 8512, " CA " at (95.031, 112.040, 3.212), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 8513, " C  " at (95.325, 112.173, 4.679), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 8514, " O  " at (95.532, 113.297, 5.187), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 8515, " CB " at (96.271, 112.168, 2.337), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 8516, " CG " at (96.034, 111.711, 0.909), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 8517, " CD1" at (96.023, 110.360, 0.594), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 8518, " CD2" at (95.787, 112.641, -0.104), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 8519, " CE1" at (95.797, 109.936, -0.707), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 8520, " CE2" at (95.559, 112.233, -1.397), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 8521, " CZ " at (95.559, 110.857, -1.701), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 8522, " N  " at (95.283, 111.031, 5.377), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 8523, " HN " at (95.072, 110.156, 4.897), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 8524, " CA " at (95.538, 111.020, 6.831), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 8525, " C  " at (96.925, 110.470, 7.175), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 8526, " O  " at (97.621, 111.002, 8.032), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 8527, " CB " at (94.424, 110.232, 7.565), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 8528, " CG1" at (93.058, 110.648, 7.034), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 8529, " CG2" at (94.505, 110.478, 9.103), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 8530, " CD1" at (92.719, 112.173, 7.233), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 8531, " N  " at (97.303, 109.401, 6.480), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 8532, " HN " at (96.677, 109.040, 5.760), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 8533, " CA " at (98.560, 108.731, 6.701), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 8534, " C  " at (99.062, 107.965, 5.485), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 8535, " O  " at (98.282, 107.511, 4.662), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 8536, " CB " at (98.484, 107.803, 7.897), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 8537, " CG " at (99.613, 108.035, 8.854), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 8538, " ND2" at (99.250, 108.206, 10.124), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 8539, "1HD2" at (100.019, 108.364, 10.776), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 8540, "2HD2" at (98.279, 108.170, 10.434), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 8541, " OD1" at (100.832, 108.080, 8.465), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 8542, " N  " at (100.385, 107.874, 5.384), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 8543, " HN " at (100.961, 108.450, 5.998), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 8544, " CA " at (101.047, 106.992, 4.439), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 8545, " C  " at (101.842, 106.004, 5.291), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 8546, " O  " at (102.779, 106.391, 6.018), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 8547, " CB " at (101.937, 107.793, 3.510), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 8548, " CG1" at (101.073, 108.781, 2.698), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 8549, " CG2" at (102.717, 106.848, 2.588), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 8550, " CD1" at (101.841, 109.965, 2.112), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 8551, " N  " at (101.430, 104.736, 5.241), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 8552, " HN " at (100.781, 104.448, 4.508), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 8553, " CA " at (101.893, 103.750, 6.220), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 8554, " C  " at (103.060, 102.925, 5.746), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 8555, " O  " at (103.875, 102.462, 6.556), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 8556, " CB " at (100.756, 102.809, 6.584), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 8557, " CG " at (99.531, 103.566, 7.105), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 8558, " CD1" at (98.392, 102.651, 7.280), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 8559, " CD2" at (99.830, 104.271, 8.420), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 8560, " N  " at (103.111, 102.706, 4.438), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 8561, " HN " at (102.394, 103.107, 3.834), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 8562, " CA " at (104.168, 101.907, 3.854), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 8563, " C  " at (104.360, 102.287, 2.398), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 8564, " O  " at (103.393, 102.455, 1.657), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 8565, " CB " at (103.846, 100.425, 3.981), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 8566, " CG " at (105.008, 99.533, 3.552), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 8567, " CD " at (104.703, 98.042, 3.648), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 8568, " OE1" at (103.552, 97.639, 3.347), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 8569, " OE2" at (105.623, 97.274, 4.018), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 8570, " N  " at (105.613, 102.410, 2.010), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 8571, " HN " at (106.350, 102.223, 2.690), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 8572, " CA " at (105.999, 102.795, 0.674), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 8573, " C  " at (107.105, 101.817, 0.277), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 8574, " O  " at (107.966, 101.503, 1.092), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 8575, " CB " at (106.468, 104.263, 0.717), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 8576, " CG1" at (107.517, 104.573, -0.320), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 8577, " CG2" at (105.291, 105.184, 0.587), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 8578, " N  " at (107.053, 101.312, -0.949), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 8579, " HN " at (106.268, 101.563, -1.550), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 8580, " CA " at (108.067, 100.420, -1.466), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 8581, " C  " at (108.500, 100.907, -2.828), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 8582, " O  " at (107.743, 100.798, -3.781), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 8583, " CB " at (107.518, 98.996, -1.551), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 8584, " CG " at (108.608, 97.949, -1.830), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 8585, " ND2" at (108.519, 96.817, -1.148), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 8586, "1HD2" at (107.774, 96.644, -0.473), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 8587, "2HD2" at (109.242, 96.122, -1.333), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 8588, " OD1" at (109.511, 98.159, -2.648), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 8589, " N  " at (109.719, 101.439, -2.905), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 8590, " HN " at (110.316, 101.432, -2.078), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 8591, " CA " at (110.221, 102.029, -4.136), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 8592, " C  " at (110.560, 100.957, -5.182), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 8593, " O  " at (110.535, 101.238, -6.390), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 8594, " CB " at (111.411, 102.983, -3.863), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 8595, " CG " at (111.451, 104.196, -4.800), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 8596, " CD " at (112.617, 105.141, -4.549), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 8597, " OE1" at (113.001, 105.302, -3.369), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 8598, " OE2" at (113.149, 105.730, -5.533), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 8599, " N  " at (110.853, 99.739, -4.719), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 8600, " HN " at (110.852, 99.576, -3.712), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 8601, " CA " at (111.176, 98.632, -5.620), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 8602, " C  " at (109.919, 98.155, -6.338), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 8603, " O  " at (109.918, 98.024, -7.554), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 8604, " CB " at (111.877, 97.453, -4.864), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 8605, " CG1" at (113.142, 97.919, -4.102), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 8606, " CG2" at (112.177, 96.276, -5.818), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 8607, " CD1" at (114.216, 98.578, -4.959), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 8608, " N  " at (108.846, 97.926, -5.581), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 8609, " HN " at (108.885, 98.142, -4.585), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 8610, " CA " at (107.619, 97.375, -6.141), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 8611, " C  " at (106.634, 98.435, -6.636), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 8612, " O  " at (105.664, 98.095, -7.294), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 8613, " CB " at (106.901, 96.399, -5.157), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 8614, " CG2" at (107.850, 95.325, -4.643), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 8615, " OG1" at (106.453, 97.093, -3.979), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 8616, " HG1" at (106.016, 96.499, -3.380), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 8617, " N  " at (106.895, 99.701, -6.324), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 8618, " HN " at (107.757, 99.909, -5.820), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 8619, " CA " at (106.008, 100.808, -6.668), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 8620, " C  " at (104.620, 100.634, -6.048), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 8621, " O  " at (103.583, 100.746, -6.720), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 8622, " CB " at (105.906, 101.009, -8.184), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 8623, " CG " at (106.948, 101.978, -8.728), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 8624, " ND2" at (107.379, 101.725, -9.949), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 8625, "1HD2" at (108.077, 102.374, -10.313), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 8626, "2HD2" at (107.056, 100.922, -10.489), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 8627, " OD1" at (107.338, 102.947, -8.077), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 8628, " N  " at (104.614, 100.358, -4.752), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 8629, " HN " at (105.505, 100.287, -4.261), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 8630, " CA " at (103.389, 100.153, -4.007), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 8631, " C  " at (103.363, 101.072, -2.792), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 8632, " O  " at (104.411, 101.363, -2.198), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 8633, " CB " at (103.258, 98.684, -3.592), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 8634, " CG " at (103.097, 97.726, -4.786), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 8635, " CD " at (103.106, 96.248, -4.407), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 8636, " OE1" at (102.831, 95.913, -3.228), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 8637, " OE2" at (103.379, 95.407, -5.301), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 8638, " N  " at (102.166, 101.536, -2.434), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 8639, " HN " at (101.352, 101.270, -2.988), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 8640, " CA " at (101.974, 102.411, -1.280), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 8641, " C  " at (100.709, 102.007, -0.525), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 8642, " O  " at (99.725, 101.613, -1.119), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 8643, " CB " at (101.897, 103.948, -1.667), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 8644, " CG1" at (103.083, 104.385, -2.451), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 8645, " CG2" at (100.658, 104.256, -2.475), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 8646, " N  " at (100.753, 102.118, 0.791), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 8647, " HN " at (101.610, 102.482, 1.207), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 8648, " CA " at (99.657, 101.755, 1.698), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 8649, " C  " at (99.236, 103.079, 2.325), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 8650, " O  " at (100.045, 103.754, 2.980), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 8651, " CB " at (100.203, 100.816, 2.777), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 8652, " CG " at (99.140, 99.990, 3.498), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 8653, " OD1" at (97.925, 100.255, 3.454), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 8654, " OD2" at (99.462, 99.024, 4.217), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 8655, " N  " at (97.983, 103.473, 2.105), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 8656, " HN " at (97.325, 102.835, 1.657), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 8657, " CA " at (97.538, 104.812, 2.498), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 8658, " C  " at (96.218, 104.807, 3.306), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 8659, " O  " at (95.353, 103.933, 3.111), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 8660, " CB " at (97.367, 105.736, 1.249), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 8661, " CG1" at (96.929, 107.103, 1.669), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 8662, " CG2" at (98.658, 105.889, 0.472), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 8663, " N  " at (96.062, 105.788, 4.200), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 8664, " HN " at (96.856, 106.390, 4.418), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 8665, " CA " at (94.791, 106.021, 4.871), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 8666, " C  " at (94.269, 107.388, 4.462), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 8667, " O  " at (94.999, 108.368, 4.563), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 8668, " CB " at (94.910, 105.955, 6.412), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 8669, " CG1" at (93.548, 106.262, 7.084), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 8670, " CG2" at (95.446, 104.589, 6.857), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 8671, " N  " at (93.013, 107.422, 3.998), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 8672, " HN " at (92.479, 106.553, 3.997), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 8673, " CA " at (92.361, 108.629, 3.493), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 8674, " C  " at (90.839, 108.687, 3.844), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 8675, " O  " at (90.136, 107.647, 4.000), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 8676, " CB " at (92.619, 108.820, 1.970), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 8677, " CG " at (92.191, 107.649, 1.113), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 8678, " CD1" at (90.887, 107.566, 0.619), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 8679, " CD2" at (93.065, 106.603, 0.832), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 8680, " CE1" at (90.474, 106.465, -0.181), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 8681, " CE2" at (92.665, 105.501, 0.063), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 8682, " CZ " at (91.374, 105.429, -0.450), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 8683, " N  " at (90.346, 109.908, 4.035), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 8684, " HN " at (90.976, 110.705, 4.127), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 8685, " CA " at (88.912, 110.102, 4.112), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 8686, " C  " at (88.429, 110.366, 2.688), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 8687, " O  " at (88.936, 111.268, 1.993), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 8688, " CB " at (88.547, 111.248, 5.031), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 8689, " CG " at (89.045, 111.116, 6.439), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 8690, " CD1" at (89.492, 109.983, 7.058), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 8691, " CD2" at (89.132, 112.163, 7.409), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 8692, " CE2" at (89.654, 111.601, 8.589), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 8693, " CE3" at (88.827, 113.530, 7.393), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 8694, " NE1" at (89.869, 110.274, 8.349), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 8695, " HE1" at (90.248, 109.605, 9.019), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 8696, " CZ2" at (89.881, 112.344, 9.743), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 8697, " CZ3" at (89.042, 114.287, 8.550), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 8698, " CH2" at (89.572, 113.691, 9.710), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 8699, " N  " at (87.479, 109.552, 2.236), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 8700, " HN " at (87.091, 108.841, 2.856), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 8701, " CA " at (86.988, 109.657, 0.886), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 8702, " C  " at (85.704, 110.425, 0.958), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 8703, " O  " at (84.606, 109.850, 1.077), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 8704, " CB " at (86.798, 108.263, 0.240), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 8705, " CG " at (86.392, 108.279, -1.226), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 8706, " CD " at (86.472, 106.886, -1.854), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 8707, " NE2" at (85.330, 106.353, -2.278), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 8708, "1HE2" at (84.434, 106.834, -2.199), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 8709, "2HE2" at (85.383, 105.424, -2.697), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 8710, " OE1" at (87.559, 106.303, -1.950), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 8711, " N  " at (85.833, 111.742, 0.860), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 8712, " HN " at (86.757, 112.148, 0.714), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 8713, " CA " at (84.684, 112.604, 0.957), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 8714, " C  " at (83.868, 112.487, -0.329), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 8715, " O  " at (84.315, 112.889, -1.398), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 8716, " CB " at (85.118, 114.049, 1.212), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 8717, " CG " at (83.970, 115.012, 1.251), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 8718, " CD " at (84.417, 116.471, 1.470), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 8719, " NE2" at (83.541, 117.414, 1.176), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 8720, "1HE2" at (83.837, 118.379, 1.321), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 8721, "2HE2" at (82.608, 117.205, 0.821), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 8722, " OE1" at (85.531, 116.721, 1.894), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 8723, " N  " at (82.656, 111.941, -0.195), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 8724, " HN " at (82.329, 111.699, 0.740), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 8725, " CA " at (81.786, 111.679, -1.328), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 8726, " C  " at (80.450, 112.324, -1.148), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 8727, " O  " at (79.819, 112.216, -0.107), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 8728, " CB " at (81.608, 110.175, -1.493), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 8729, " CG2" at (81.347, 109.830, -2.926), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 8730, " OG1" at (82.866, 109.539, -1.224), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 8731, " HG1" at (82.755, 108.601, -1.327), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 8732, " N  " at (80.003, 112.977, -2.203), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 8733, " HN " at (80.464, 112.844, -3.103), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 8734, " CA " at (78.886, 113.868, -2.115), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 8735, " C  " at (78.037, 113.695, -3.355), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 8736, " O  " at (78.584, 113.599, -4.456), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 8737, " CB " at (79.474, 115.289, -1.980), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 8738, " CG2" at (78.731, 116.308, -2.810), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 8739, " OG1" at (79.352, 115.724, -0.618), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 8740, " HG1" at (79.714, 116.598, -0.535), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 8741, " N  " at (76.712, 113.623, -3.161), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 8742, " HN " at (76.356, 113.610, -2.205), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 8743, " CA " at (75.760, 113.562, -4.264), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 8744, " C  " at (74.364, 113.908, -3.791), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 8745, " O  " at (74.090, 113.984, -2.607), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 8746, " CB " at (75.769, 112.191, -4.962), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 8747, " CG " at (75.192, 111.077, -4.126), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 8748, " CD1" at (73.923, 110.604, -4.157), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 8749, " CD2" at (75.862, 110.337, -3.108), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 8750, " CE2" at (74.938, 109.408, -2.581), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 8751, " CE3" at (77.168, 110.339, -2.606), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 8752, " NE1" at (73.753, 109.594, -3.237), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 8753, " HE1" at (72.891, 109.074, -3.073), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 8754, " CZ2" at (75.260, 108.530, -1.571), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 8755, " CZ3" at (77.496, 109.458, -1.606), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 8756, " CH2" at (76.538, 108.568, -1.081), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 8757, " N  " at (73.464, 114.060, -4.735), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 8758, " HN " at (73.736, 113.956, -5.713), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 8759, " CA " at (72.099, 114.371, -4.405), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 8760, " C  " at (71.169, 113.201, -4.754), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 8761, " O  " at (71.313, 112.583, -5.794), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 8762, " CB " at (71.706, 115.639, -5.145), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 8763, " OG " at (70.366, 115.535, -5.566), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 8764, " HG " at (70.120, 116.328, -6.029), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 8765, " N  " at (70.232, 112.911, -3.862), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 8766, " HN " at (70.251, 113.394, -2.964), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 8767, " CA " at (69.175, 111.934, -4.103), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 8768, " C  " at (67.850, 112.494, -3.621), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 8769, " O  " at (67.527, 112.370, -2.452), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 8770, " CB " at (69.490, 110.628, -3.373), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 8771, " CG " at (68.515, 109.498, -3.723), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 8772, " OD1" at (67.402, 109.780, -4.243), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 8773, " OD2" at (68.788, 108.270, -3.525), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 8774, " N  " at (67.096, 113.094, -4.533), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 8775, " HN " at (67.412, 113.095, -5.503), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 8776, " CA " at (65.842, 113.749, -4.212), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 8777, " C  " at (64.774, 112.815, -3.606), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 8778, " O  " at (63.924, 113.300, -2.843), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 8779, " CB " at (65.271, 114.511, -5.420), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 8780, " CG " at (66.083, 115.735, -5.931), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 8781, " CD " at (66.829, 116.524, -4.854), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 8782, " NE " at (68.058, 117.138, -5.363), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 8783, " HE " at (68.706, 116.541, -5.878), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 8784, " CZ " at (68.393, 118.420, -5.203), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 8785, " NH1" at (67.591, 119.249, -4.529), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 8786, "1HH1" at (67.847, 120.229, -4.407), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 8787, "2HH1" at (66.724, 118.898, -4.123), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 8788, " NH2" at (69.526, 118.878, -5.734), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 8789, "1HH2" at (69.782, 119.858, -5.612), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 8790, "2HH2" at (70.138, 118.245, -6.249), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 8791, " N  " at (64.836, 111.500, -3.883), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 8792, " HN " at (65.560, 111.154, -4.512), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 8793, " CA " at (63.870, 110.546, -3.290), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 8794, " C  " at (64.033, 110.456, -1.749), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 8795, " O  " at (63.201, 109.860, -1.043), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 8796, " CB " at (63.968, 109.093, -3.919), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 8797, " CG2" at (63.992, 109.092, -5.488), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 8798, " OG1" at (65.215, 108.490, -3.546), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 8799, " HG1" at (65.200, 108.491, -2.596), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 8800, " N  " at (65.115, 111.016, -1.224), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 8801, " HN " at (65.798, 111.471, -1.830), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 8802, " CA " at (65.329, 110.983, 0.213), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 8803, " C  " at (64.761, 112.215, 0.905), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 8804, " O  " at (64.626, 112.228, 2.145), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 8805, " CB " at (66.802, 110.860, 0.541), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 8806, " CG " at (67.610, 109.707, -0.056), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 8807, " CD1" at (69.075, 109.897, 0.298), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 8808, " CD2" at (67.089, 108.390, 0.448), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 8809, " N  " at (64.442, 113.237, 0.113), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 8810, " HN " at (64.496, 113.110, -0.898), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 8811, " CA " at (64.018, 114.531, 0.637), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 8812, " C  " at (62.775, 114.471, 1.503), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 8813, " O  " at (61.881, 113.631, 1.299), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 8814, " CB " at (63.799, 115.559, -0.516), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 8815, " N  " at (62.722, 115.374, 2.473), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 8816, " HN " at (63.527, 115.980, 2.634), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 8817, " CA " at (61.544, 115.521, 3.312), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 8818, " C  " at (61.397, 116.978, 3.700), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 8819, " O  " at (62.383, 117.718, 3.703), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 8820, " CB " at (61.639, 114.641, 4.567), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 8821, " CG " at (62.671, 115.077, 5.556), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 8822, " CD1" at (62.491, 115.952, 6.609), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 8823, " CD2" at (64.040, 114.669, 5.610), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 8824, " CE2" at (64.629, 115.314, 6.718), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 8825, " CE3" at (64.835, 113.793, 4.846), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 8826, " NE1" at (63.661, 116.086, 7.312), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 8827, " HE1" at (63.791, 116.665, 8.142), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 8828, " CZ2" at (65.972, 115.133, 7.062), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 8829, " CZ3" at (66.166, 113.616, 5.185), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 8830, " CH2" at (66.718, 114.271, 6.296), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 8831, " N  " at (60.167, 117.364, 4.028), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 8832, " HN " at (59.414, 116.678, 3.974), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 8833, " CA " at (59.839, 118.720, 4.461), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 8834, " C  " at (60.323, 118.956, 5.895), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 8835, " O  " at (59.786, 118.384, 6.844), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 8836, " CB " at (58.320, 118.945, 4.347), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 8837, " CG " at (57.916, 120.385, 4.573), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 8838, " ND2" at (56.786, 120.792, 3.978), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 8839, "1HD2" at (56.514, 121.763, 4.130), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 8840, "2HD2" at (56.223, 120.179, 3.389), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 8841, " OD1" at (58.591, 121.120, 5.279), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 8842, " N  " at (61.332, 119.805, 6.047), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 8843, " HN " at (61.705, 120.287, 5.229), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 8844, " CA " at (61.916, 120.064, 7.344), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 8845, " C  " at (61.657, 121.496, 7.793), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 8846, " O  " at (62.512, 122.129, 8.431), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 8847, " CB " at (63.415, 119.789, 7.324), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 8848, " OG " at (64.096, 120.771, 6.565), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 8849, " HG " at (65.030, 120.600, 6.553), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 8850, " N  " at (60.477, 122.011, 7.460), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 8851, " HN " at (59.859, 121.505, 6.825), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 8852, " CA " at (60.070, 123.294, 8.001), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 8853, " C  " at (59.991, 123.241, 9.546), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 8854, " O  " at (60.429, 124.189, 10.216), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 8855, " CB " at (58.766, 123.794, 7.351), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 8856, " OG " at (57.690, 122.898, 7.578), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 8857, " HG " at (56.886, 123.206, 7.177), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 8858, " N  " at (59.482, 122.121, 10.085), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 8859, " HN " at (59.195, 121.371, 9.456), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 8860, " CA " at (59.315, 121.916, 11.532), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 8861, " C  " at (59.914, 120.598, 12.030), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 8862, " O  " at (59.393, 119.992, 12.972), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 8863, " CB " at (57.837, 121.975, 11.913), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 8864, " CG " at (57.178, 123.262, 11.533), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 8865, " CD2" at (56.146, 123.519, 10.696), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 8866, " ND1" at (57.603, 124.485, 12.008), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 8867, " HD1" at (58.371, 124.630, 12.663), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 8868, " CE1" at (56.859, 125.438, 11.481), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 8869, " NE2" at (55.963, 124.879, 10.687), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 8870, " HE2" at (55.251, 125.378, 10.154), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 8871, " N  " at (61.005, 120.172, 11.392), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 8872, " HN " at (61.418, 120.782, 10.687), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 8873, " CA " at (61.642, 118.881, 11.646), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 8874, " C  " at (63.161, 119.044, 11.592), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 8875, " O  " at (63.654, 120.036, 11.039), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 8876, " CB " at (61.209, 117.864, 10.589), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 8877, " OG " at (59.827, 117.655, 10.619), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 8878, " HG " at (59.558, 117.023, 9.962), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 8879, " N  " at (63.905, 118.098, 12.173), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 8880, " CA " at (65.360, 118.033, 11.966), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 8881, " C  " at (65.669, 118.029, 10.482), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 8882, " O  " at (64.965, 117.360, 9.699), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 8883, " CB " at (65.744, 116.689, 12.581), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 8884, " CG " at (64.735, 116.464, 13.639), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 8885, " CD " at (63.437, 117.051, 13.107), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 8886, " N  " at (66.693, 118.760, 10.078), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 8887, " HN " at (67.270, 119.256, 10.757), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 8888, " CA " at (66.989, 118.852, 8.664), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 8889, " C  " at (68.141, 117.944, 8.181), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 8890, " O  " at (68.489, 117.968, 7.014), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 8891, " CB " at (67.168, 120.309, 8.255), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 8892, " CG " at (68.532, 120.817, 8.548), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 8893, " OD1" at (69.012, 120.600, 9.691), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 8894, " OD2" at (69.205, 121.429, 7.681), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 8895, " N  " at (68.698, 117.141, 9.090), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 8896, " HN " at (68.363, 117.186, 10.053), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 8897, " CA " at (69.768, 116.200, 8.763), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 8898, " C  " at (69.664, 114.960, 9.624), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 8899, " O  " at (69.311, 115.057, 10.797), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 8900, " CB " at (71.135, 116.817, 9.008), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 8901, " CG " at (71.603, 117.746, 7.939), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 8902, " CD " at (73.083, 118.103, 8.070), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 8903, " NE2" at (73.385, 119.397, 7.951), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 8904, "1HE2" at (74.373, 119.635, 8.038), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 8905, "2HE2" at (72.681, 120.118, 7.793), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 8906, " OE1" at (73.941, 117.225, 8.263), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 8907, " N  " at (69.970, 113.802, 9.048), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 8908, " HN " at (70.125, 113.778, 8.040), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 8909, " CA " at (70.093, 112.548, 9.819), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 8910, " C  " at (71.287, 111.693, 9.362), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 8911, " O  " at (71.759, 111.822, 8.222), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 8912, " CB " at (68.815, 111.685, 9.740), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 8913, " CG1" at (67.646, 112.347, 10.493), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 8914, " CG2" at (68.466, 111.392, 8.296), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 8915, " N  " at (71.775, 110.836, 10.258), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 8916, " HN " at (71.455, 110.892, 11.225), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 8917, " CA " at (72.758, 109.817, 9.889), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 8918, " C  " at (72.064, 108.523, 9.466), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 8919, " O  " at (71.232, 108.014, 10.184), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 8920, " CB " at (73.718, 109.513, 11.046), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 8921, " OG " at (74.429, 110.653, 11.449), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 8922, " HG " at (75.024, 110.465, 12.166), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 8923, " N  " at (72.430, 107.988, 8.308), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 8924, " HN " at (73.209, 108.400, 7.794), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 8925, " CA " at (71.747, 106.828, 7.753), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 8926, " C  " at (72.735, 105.724, 7.402), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 8927, " O  " at (73.726, 105.979, 6.724), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 8928, " CB " at (70.945, 107.212, 6.457), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 8929, " CG1" at (70.069, 106.019, 5.994), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 8930, " CG2" at (70.081, 108.443, 6.688), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 8931, " N  " at (72.485, 104.485, 7.829), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 8932, " CA " at (73.336, 103.362, 7.394), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 8933, " C  " at (73.363, 103.310, 5.875), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 8934, " O  " at (72.283, 103.400, 5.287), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 8935, " CB " at (72.624, 102.112, 7.938), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 8936, " CG " at (71.592, 102.584, 8.945), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 8937, " CD " at (71.375, 104.060, 8.720), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 8938, " N  " at (74.545, 103.197, 5.247), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 8939, " HN " at (75.402, 103.105, 5.792), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 8940, " CA " at (74.611, 103.205, 3.785), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 8941, " C  " at (73.868, 102.044, 3.122), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 8942, " O  " at (73.574, 102.134, 1.939), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 8943, " CB " at (76.069, 103.282, 3.254), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 8944, " CG1" at (76.873, 102.036, 3.640), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 8945, " CG2" at (76.725, 104.600, 3.705), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 8946, " CD1" at (78.108, 101.853, 2.757), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 8947, " N  " at (73.560, 100.991, 3.890), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 8948, " HN " at (73.911, 100.967, 4.847), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 8949, " CA " at (72.744, 99.875, 3.419), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 8950, " C  " at (71.327, 100.301, 3.118), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 8951, " O  " at (70.623, 99.634, 2.383), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 8952, " CB " at (72.767, 98.699, 4.415), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 8953, " OG " at (71.965, 98.976, 5.568), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 8954, " HG " at (71.979, 98.251, 6.182), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 8955, " N  " at (70.916, 101.431, 3.666), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 8956, " HN " at (71.524, 101.932, 4.314), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 8957, " CA " at (69.605, 101.961, 3.350), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 8958, " C  " at (69.635, 102.986, 2.216), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 8959, " O  " at (68.600, 103.530, 1.860), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 8960, " CB " at (68.982, 102.561, 4.609), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 8961, " OG " at (68.634, 101.505, 5.495), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 8962, " HG " at (68.247, 101.878, 6.278), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 8963, " N  " at (70.811, 103.244, 1.653), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 8964, " HN " at (71.636, 102.707, 1.919), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 8965, " CA " at (70.914, 104.308, 0.646), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 8966, " C  " at (71.515, 103.789, -0.643), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 8967, " O  " at (72.345, 102.879, -0.589), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 8968, " CB " at (71.856, 105.427, 1.144), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 8969, " CG " at (71.496, 106.259, 2.355), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 8970, " CD1" at (72.472, 107.374, 2.559), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 8971, " CD2" at (70.140, 106.841, 2.115), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 8972, " N  " at (71.170, 104.387, -1.783), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 8973, " HN " at (70.340, 104.978, -1.828), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 8974, " CA " at (72.005, 104.181, -2.973), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 8975, " C  " at (73.292, 104.929, -2.745), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 8976, " O  " at (73.289, 106.063, -2.268), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 8977, " CB " at (71.344, 104.652, -4.277), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 8978, " CG " at (72.270, 104.545, -5.480), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 8979, " CD1" at (72.450, 103.451, -6.283), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 8980, " CD2" at (73.171, 105.558, -5.989), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 8981, " CE2" at (73.835, 105.013, -7.098), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 8982, " CE3" at (73.504, 106.854, -5.588), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 8983, " NE1" at (73.378, 103.728, -7.255), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 8984, " HE1" at (73.681, 103.080, -7.982), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 8985, " CZ2" at (74.786, 105.734, -7.845), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 8986, " CZ3" at (74.449, 107.595, -6.361), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 8987, " CH2" at (75.061, 107.020, -7.471), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 8988, " N  " at (74.396, 104.273, -3.070), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 8989, " HN " at (74.315, 103.323, -3.433), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 8990, " CA " at (75.727, 104.863, -2.927), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 8991, " C  " at (76.440, 104.647, -4.260), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 8992, " O  " at (76.268, 103.583, -4.871), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 8993, " CB " at (76.461, 104.177, -1.736), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 8994, " CG1" at (77.949, 104.417, -1.767), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 8995, " CG2" at (75.889, 104.650, -0.419), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 8996, " N  " at (77.196, 105.625, -4.746), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 8997, " CA " at (77.903, 105.469, -6.025), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 8998, " C  " at (78.908, 104.315, -5.972), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 8999, " O  " at (79.609, 104.166, -4.973), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 9000, " CB " at (78.680, 106.785, -6.183), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 9001, " CG " at (78.329, 107.626, -5.085), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 9002, " CD " at (77.419, 106.955, -4.147), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 9003, " N  " at (78.991, 103.555, -7.062), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 9004, " HN " at (78.439, 103.813, -7.880), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 9005, " CA " at (79.839, 102.367, -7.138), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 9006, " C  " at (81.269, 102.747, -7.531), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 9007, " O  " at (81.793, 102.232, -8.520), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 9008, " CB " at (79.272, 101.348, -8.142), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 9009, " CG " at (79.202, 101.885, -9.555), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 9010, " OD1" at (79.031, 103.126, -9.731), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 9011, " OD2" at (79.297, 101.154, -10.578), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 9012, " N  " at (81.889, 103.638, -6.750), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 9013, " HN " at (81.388, 104.016, -5.946), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 9014, " CA " at (83.251, 104.091, -7.002), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 9015, " C  " at (84.290, 103.027, -6.697), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 9016, " O  " at (84.168, 102.280, -5.720), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 9017, " CB " at (83.558, 105.357, -6.189), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 9018, " CG " at (82.594, 106.521, -6.431), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 9019, " CD1" at (82.969, 107.696, -5.517), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 9020, " CD2" at (82.617, 106.912, -7.881), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 9021, " N  " at (85.329, 102.999, -7.521), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 9022, " HN " at (85.333, 103.621, -8.329), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 9023, " CA " at (86.467, 102.109, -7.312), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 9024, " C  " at (87.751, 102.815, -7.686), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 9025, " O  " at (87.761, 103.641, -8.600), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 9026, " CB " at (86.296, 100.792, -8.169), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 9027, " N  " at (88.828, 102.512, -6.962), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 9028, " HN " at (88.726, 101.940, -6.124), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 9029, " CA " at (90.138, 102.984, -7.349), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 9030, " C  " at (90.707, 101.983, -8.333), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 9031, " O  " at (90.843, 100.816, -7.986), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 9032, " CB " at (91.051, 103.154, -6.143), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 9033, " N  " at (90.990, 102.434, -9.556), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 9034, " HN " at (90.888, 103.433, -9.737), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 9035, " CA " at (91.440, 101.572, -10.656), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 9036, " C  " at (92.824, 100.977, -10.425), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 9037, " O  " at (93.109, 99.891, -10.942), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 9038, " CB " at (91.483, 102.354, -11.979), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 9039, " CG " at (90.144, 102.504, -12.683), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 9040, " CD1" at (89.101, 103.225, -12.097), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 9041, " CD2" at (89.929, 101.930, -13.948), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 9042, " CE1" at (87.888, 103.373, -12.735), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 9043, " CE2" at (88.720, 102.070, -14.591), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 9044, " CZ " at (87.701, 102.792, -13.987), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 9045, " OH " at (86.492, 102.935, -14.627), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 9046, " HH " at (85.794, 103.429, -14.213), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 9047, " N  " at (93.679, 101.678, -9.665), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 9048, " HN " at (93.388, 102.576, -9.279), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 9049, " CA " at (95.029, 101.171, -9.381), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 9050, " C  " at (95.202, 100.630, -7.945), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 9051, " O  " at (96.318, 100.407, -7.467), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 9052, " CB " at (96.106, 102.173, -9.761), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 9053, " CG " at (95.952, 103.510, -9.036), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 9054, " ND2" at (97.064, 104.077, -8.646), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 9055, "1HD2" at (97.980, 103.665, -8.823), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 9056, "2HD2" at (96.961, 104.969, -8.162), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 9057, " OD1" at (94.841, 104.010, -8.821), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 9058, " N  " at (94.078, 100.367, -7.287), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 9059, " HN " at (93.182, 100.632, -7.696), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 9060, " CA " at (94.108, 99.703, -5.985), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 9061, " C  " at (94.484, 98.236, -6.174), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 9062, " O  " at (94.050, 97.601, -7.134), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 9063, " CB " at (92.748, 99.820, -5.292), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 9064, " N  " at (95.303, 97.729, -5.264), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 9065, " HN " at (95.630, 98.328, -4.506), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 9066, " CA " at (95.753, 96.335, -5.313), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 9067, " C  " at (95.288, 95.605, -4.049), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 9068, " O  " at (95.665, 94.463, -3.815), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 9069, " CB " at (97.307, 96.240, -5.521), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 9070, " CG1" at (98.060, 96.964, -4.390), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 9071, " CG2" at (97.692, 96.748, -6.915), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 9072, " CD1" at (99.562, 96.764, -4.387), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 9073, " N  " at (94.497, 96.285, -3.210), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 9074, " HN " at (94.387, 97.290, -3.348), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 9075, " CA " at (93.783, 95.645, -2.101), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 9076, " C  " at (92.322, 96.163, -2.091), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 9077, " O  " at (92.049, 97.270, -2.616), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 9078, " CB " at (94.473, 95.942, -0.755), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 9079, " OG " at (94.163, 97.271, -0.305), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 9080, " HG " at (94.588, 97.454, 0.525), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 9081, " N  " at (91.368, 95.381, -1.548), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 9082, " HN " at (91.601, 94.437, -1.240), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 9083, " CA " at (89.989, 95.881, -1.396), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 9084, " C  " at (90.021, 96.971, -0.340), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 9085, " O  " at (90.813, 96.862, 0.587), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 9086, " CB " at (88.942, 94.812, -0.943), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 9087, " CG " at (89.142, 93.359, -1.387), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 9088, " CD " at (88.883, 92.351, -0.220), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 9089, " CE " at (90.187, 92.001, 0.576), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 9090, " NZ " at (90.016, 91.745, 2.062), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 9091, " HZ1" at (90.865, 91.517, 2.580), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 9092, " HZ2" at (89.316, 91.017, 2.209), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 9093, " HZ3" at (89.549, 92.540, 2.498), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 9094, " N  " at (89.171, 98.002, -0.466), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 9095, " CA " at (89.152, 99.110, 0.502), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 9096, " C  " at (88.841, 98.674, 1.925), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 9097, " O  " at (87.800, 98.081, 2.151), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 9098, " CB " at (88.034, 100.038, -0.022), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 9099, " CG " at (87.248, 99.263, -0.989), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 9100, " CD " at (88.161, 98.176, -1.531), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 9101, " N  " at (89.715, 98.942, 2.870), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 9102, " HN " at (90.607, 99.373, 2.626), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 9103, " CA " at (89.420, 98.628, 4.270), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 9104, " C  " at (88.771, 99.890, 4.875), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 9105, " O  " at (89.445, 100.897, 5.059), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 9106, " CB " at (90.722, 98.244, 5.013), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 9107, " CG " at (90.580, 97.608, 6.397), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 9108, " CD " at (91.939, 97.298, 7.021), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 9109, " OE1" at (92.898, 97.018, 6.244), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 9110, " OE2" at (92.075, 97.317, 8.278), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 9111, " N  " at (87.462, 99.825, 5.143), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 9112, " HN " at (86.956, 98.972, 4.905), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 9113, " CA " at (86.721, 100.935, 5.768), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 9114, " C  " at (86.921, 100.923, 7.267), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 9115, " O  " at (86.569, 99.960, 7.930), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 9116, " CB " at (85.218, 100.864, 5.450), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 9117, " CG1" at (84.507, 102.038, 6.070), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 9118, " CG2" at (84.968, 100.830, 3.895), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 9119, " N  " at (87.480, 102.006, 7.802), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 9120, " HN " at (87.659, 102.818, 7.212), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 9121, " CA " at (87.843, 102.056, 9.220), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 9122, " C  " at (86.769, 102.649, 10.112), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 9123, " O  " at (86.824, 102.513, 11.328), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 9124, " CB " at (89.154, 102.819, 9.406), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 9125, " CG " at (90.338, 102.361, 8.513), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 9126, " CD1" at (91.523, 103.306, 8.683), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 9127, " CD2" at (90.768, 100.957, 8.813), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 9128, " N  " at (85.778, 103.287, 9.512), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 9129, " HN " at (85.694, 103.248, 8.496), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 9130, " CA " at (84.812, 104.040, 10.283), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 9131, " C  " at (83.406, 103.467, 10.195), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 9132, " O  " at (83.147, 102.708, 9.293), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 9133, " CB " at (84.812, 105.533, 9.816), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 9134, " CG2" at (86.052, 106.245, 10.352), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 9135, " OG1" at (84.941, 105.628, 8.388), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 9136, " HG1" at (84.941, 106.535, 8.104), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 9137, " N  " at (82.499, 103.836, 11.117), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 9138, " CA " at (81.079, 103.439, 11.004), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 9139, " C  " at (80.510, 103.775, 9.638), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 9140, " O  " at (80.746, 104.866, 9.139), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 9141, " CB " at (80.403, 104.248, 12.105), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 9142, " CG " at (81.494, 104.462, 13.126), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 9143, " CD " at (82.750, 104.622, 12.339), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 9144, " N  " at (79.802, 102.840, 9.013), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 9145, " HN " at (79.578, 101.967, 9.491), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 9146, " CA " at (79.339, 103.060, 7.632), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 9147, " C  " at (77.995, 103.817, 7.559), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 9148, " O  " at (76.955, 103.252, 7.171), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 9149, " CB " at (79.318, 101.730, 6.871), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 9150, " CG " at (80.746, 101.217, 6.588), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 9151, " CD " at (80.799, 99.787, 6.027), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 9152, " NE2" at (81.614, 98.935, 6.649), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 9153, "1HE2" at (81.649, 97.986, 6.277), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 9154, "2HE2" at (82.165, 99.198, 7.466), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 9155, " OE1" at (80.127, 99.467, 5.031), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 9156, " N  " at (78.035, 105.091, 7.955), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 9157, " HN " at (78.934, 105.481, 8.238), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 9158, " CA " at (76.858, 105.957, 8.005), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 9159, " C  " at (77.100, 107.164, 7.122), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 9160, " O  " at (78.226, 107.680, 7.049), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 9161, " CB " at (76.609, 106.447, 9.434), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 9162, " CG " at (76.447, 105.409, 10.559), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 9163, " CD1" at (76.339, 106.100, 11.934), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 9164, " CD2" at (75.215, 104.556, 10.338), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 9165, " N  " at (76.053, 107.608, 6.436), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 9166, " HN " at (75.168, 107.104, 6.490), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 9167, " CA " at (76.149, 108.804, 5.607), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 9168, " C  " at (75.266, 109.840, 6.297), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 9169, " O  " at (74.345, 109.505, 7.057), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 9170, " CB " at (75.650, 108.538, 4.181), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 9171, " N  " at (75.549, 111.100, 6.010), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 9172, " HN " at (76.349, 111.305, 5.412), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 9173, " CA " at (74.757, 112.190, 6.520), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 9174, " C  " at (73.828, 112.637, 5.408), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 9175, " O  " at (74.278, 112.837, 4.293), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 9176, " CB " at (75.708, 113.275, 6.971), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 9177, " CG " at (75.131, 114.248, 7.898), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 9178, " CD " at (74.885, 113.753, 9.295), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 9179, " NE " at (74.223, 114.841, 9.999), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 9180, " HE " at (74.185, 115.745, 9.528), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 9181, " CZ " at (73.674, 114.762, 11.179), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 9182, " NH1" at (73.678, 113.612, 11.867), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 9183, "1HH1" at (74.105, 112.769, 11.483), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 9184, "2HH1" at (73.249, 113.550, 12.790), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 9185, " NH2" at (73.113, 115.869, 11.683), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 9186, "1HH2" at (73.110, 116.744, 11.159), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 9187, "2HH2" at (72.684, 115.807, 12.606), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 9188, " N  " at (72.525, 112.705, 5.674), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 9189, " HN " at (72.205, 112.547, 6.630), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 9190, " CA " at (71.541, 112.999, 4.635), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 9191, " C  " at (70.802, 114.292, 5.042), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 9192, " O  " at (70.214, 114.370, 6.132), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 9193, " CB " at (70.529, 111.826, 4.457), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 9194, " CG1" at (69.391, 112.177, 3.496), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 9195, " CG2" at (71.230, 110.541, 3.997), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 9196, " N  " at (70.839, 115.301, 4.172), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 9197, " HN " at (71.375, 115.193, 3.311), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 9198, " CA " at (70.129, 116.567, 4.417), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 9199, " C  " at (68.704, 116.459, 3.867), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 9200, " O  " at (68.475, 115.714, 2.911), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 9201, " CB " at (70.896, 117.769, 3.792), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 9202, " CG1" at (70.306, 119.139, 4.252), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 9203, " CG2" at (72.400, 117.689, 4.138), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 9204, " N  " at (67.755, 117.196, 4.450), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 9205, " HN " at (68.016, 117.810, 5.221), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 9206, " CA " at (66.352, 117.157, 4.025), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 9207, " C  " at (66.080, 117.463, 2.547), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 9208, " O  " at (65.005, 117.135, 2.037), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 9209, " CB " at (65.489, 118.073, 4.899), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 9210, " OG " at (65.695, 119.439, 4.573), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 9211, " HG " at (65.160, 120.007, 5.115), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 9212, " N  " at (67.007, 118.135, 1.868), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 9213, " HN " at (67.854, 118.457, 2.337), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 9214, " CA " at (66.804, 118.410, 0.444), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 9215, " C  " at (67.291, 117.247, -0.428), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 9216, " O  " at (67.152, 117.299, -1.632), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 9217, " CB " at (67.435, 119.749, 0.010), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 9218, " CG " at (68.953, 119.776, 0.192), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 9219, " OD1" at (69.563, 118.740, 0.582), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 9220, " OD2" at (69.629, 120.804, -0.012), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 9221, " N  " at (67.855, 116.212, 0.189), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 9222, " HN " at (67.957, 116.238, 1.204), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 9223, " CA " at (68.326, 115.055, -0.531), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 9224, " C  " at (69.827, 115.017, -0.742), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 9225, " O  " at (70.332, 114.079, -1.390), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 9226, " N  " at (70.552, 115.997, -0.209), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 9227, " HN " at (70.091, 116.760, 0.287), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 9228, " CA " at (72.009, 115.981, -0.334), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 9229, " C  " at (72.588, 114.942, 0.603), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 9230, " O  " at (72.166, 114.832, 1.753), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 9231, " CB " at (72.619, 117.344, 0.007), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 9232, " CG " at (72.408, 118.452, -1.014), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 9233, " CD " at (72.852, 118.080, -2.425), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 9234, " OE1" at (74.047, 117.683, -2.642), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 9235, " OE2" at (71.988, 118.183, -3.334), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 9236, " N  " at (73.579, 114.208, 0.119), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 9237, " HN " at (73.929, 114.389, -0.822), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 9238, " CA " at (74.171, 113.150, 0.913), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 9239, " C  " at (75.677, 113.412, 1.021), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 9240, " O  " at (76.318, 113.754, 0.049), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 9241, " CB " at (73.913, 111.752, 0.297), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 9242, " CG1" at (74.455, 110.607, 1.223), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 9243, " CG2" at (72.473, 111.550, -0.038), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 9244, " N  " at (76.225, 113.230, 2.214), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 9245, " HN " at (75.615, 113.115, 3.024), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 9246, " CA " at (77.666, 113.189, 2.408), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 9247, " C  " at (78.046, 111.835, 3.009), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 9248, " O  " at (77.629, 111.515, 4.109), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 9249, " CB " at (78.086, 114.308, 3.352), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 9250, " CG " at (79.524, 114.248, 3.915), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 9251, " CD1" at (80.564, 114.340, 2.798), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 9252, " CD2" at (79.765, 115.342, 4.971), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 9253, " N  " at (78.816, 111.048, 2.270), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 9254, " HN " at (79.016, 111.301, 1.302), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 9255, " CA " at (79.385, 109.814, 2.831), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 9256, " C  " at (80.916, 110.011, 2.880), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 9257, " O  " at (81.520, 110.325, 1.880), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 9258, " CB " at (78.947, 108.585, 2.002), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 9259, " CG " at (79.514, 107.280, 2.528), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 9260, " CD1" at (79.529, 107.009, 3.891), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 9261, " CD2" at (80.061, 106.332, 1.659), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 9262, " CE1" at (80.062, 105.838, 4.384), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 9263, " CE2" at (80.594, 105.132, 2.149), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 9264, " CZ " at (80.606, 104.903, 3.506), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 9265, " OH " at (81.153, 103.746, 4.044), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 9266, " HH " at (81.524, 103.108, 3.445), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 9267, " N  " at (81.528, 109.881, 4.050), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 9268, " HN " at (80.993, 109.581, 4.865), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 9269, " CA " at (82.959, 110.161, 4.191), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 9270, " C  " at (83.652, 109.112, 5.055), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 9271, " O  " at (83.996, 109.389, 6.235), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 9272, " CB " at (83.175, 111.582, 4.754), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 9273, " CG " at (84.651, 112.066, 4.802), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 9274, " SD " at (84.866, 113.947, 4.972), DEBUG: found_parm->rec_index = 5 was assigned atom type "SA" (rec_index= 5, atom_type= 5).
-Atom no. 9275, " CE " at (83.267, 114.415, 5.165), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 9276, " N  " at (83.849, 107.912, 4.508), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 9277, " CA " at (84.529, 106.853, 5.247), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 9278, " C  " at (86.058, 107.129, 5.354), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 9279, " O  " at (86.648, 107.752, 4.464), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 9280, " CB " at (84.259, 105.624, 4.392), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 9281, " CG " at (84.108, 106.106, 2.999), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 9282, " CD " at (83.464, 107.472, 3.146), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 9283, " N  " at (86.683, 106.728, 6.455), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 9284, " HN " at (86.145, 106.544, 7.302), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 9285, " CA " at (88.135, 106.548, 6.466), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 9286, " C  " at (88.465, 105.188, 5.862), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 9287, " O  " at (87.898, 104.166, 6.280), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 9288, " CB " at (88.663, 106.591, 7.876), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 9289, " OG " at (90.065, 106.836, 7.929), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 9290, " HG " at (90.398, 106.863, 8.818), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 9291, " N  " at (89.368, 105.183, 4.881), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 9292, " HN " at (89.841, 106.057, 4.649), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 9293, " CA " at (89.708, 103.990, 4.129), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 9294, " C  " at (91.206, 103.748, 4.215), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 9295, " O  " at (91.999, 104.679, 4.099), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 9296, " CB " at (89.245, 104.154, 2.661), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 9297, " CG1" at (87.701, 104.133, 2.586), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 9298, " CG2" at (89.877, 103.085, 1.737), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 9299, " CD1" at (87.141, 104.059, 1.216), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 9300, " N  " at (91.578, 102.494, 4.443), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 9301, " HN " at (90.878, 101.823, 4.761), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 9302, " CA " at (92.939, 102.047, 4.257), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 9303, " C  " at (92.987, 101.176, 3.001), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 9304, " O  " at (92.183, 100.258, 2.829), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 9305, " CB " at (93.442, 101.288, 5.472), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 9306, " CG " at (94.928, 100.966, 5.363), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 9307, " CD " at (95.495, 100.084, 6.460), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 9308, " NE " at (96.923, 99.836, 6.240), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 9309, " HE " at (97.255, 99.795, 5.276), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 9310, " CZ " at (97.822, 99.660, 7.217), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 9311, " NH1" at (97.441, 99.703, 8.501), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 9312, "1HH1" at (98.126, 99.569, 9.245), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 9313, "2HH1" at (96.464, 99.882, 8.733), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 9314, " NH2" at (99.102, 99.426, 6.913), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 9315, "1HH2" at (99.787, 99.292, 7.657), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 9316, "2HH2" at (99.392, 99.393, 5.936), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 9317, " N  " at (93.913, 101.490, 2.108), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 9318, " HN " at (94.570, 102.242, 2.315), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 9319, " CA " at (94.016, 100.784, 0.833), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 9320, " C  " at (95.437, 100.850, 0.270), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 9321, " O  " at (96.189, 101.819, 0.491), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 9322, " CB " at (93.036, 101.374, -0.179), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 9323, " CG " at (92.690, 100.429, -1.335), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 9324, " CD " at (91.426, 100.872, -2.041), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 9325, " NE2" at (90.774, 99.959, -2.709), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 9326, "1HE2" at (91.086, 98.990, -2.772), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 9327, "2HE2" at (89.922, 100.257, -3.185), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 9328, " OE1" at (91.043, 102.062, -1.964), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 9329, " N  " at (95.787, 99.793, -0.442), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 9330, " HN " at (95.099, 99.054, -0.587), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 9331, " CA " at (97.094, 99.639, -1.021), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 9332, " C  " at (96.930, 99.996, -2.526), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 9333, " O  " at (95.924, 99.633, -3.140), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 9334, " CB " at (97.546, 98.183, -0.747), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 9335, " CG " at (99.047, 97.905, -0.672), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 9336, " CD " at (99.454, 96.583, 0.067), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 9337, " NE " at (98.557, 96.266, 1.202), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 9338, " HE " at (98.718, 96.751, 2.085), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 9339, " CZ " at (97.546, 95.384, 1.148), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 9340, " NH1" at (97.327, 94.702, 0.030), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 9341, "1HH1" at (97.931, 94.857, -0.777), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 9342, "2HH1" at (96.559, 94.032, -0.011), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 9343, " NH2" at (96.756, 95.182, 2.203), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 9344, "1HH2" at (96.924, 95.706, 3.062), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 9345, "2HH2" at (95.988, 94.512, 2.162), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 9346, " N  " at (97.903, 100.718, -3.097), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 9347, " HN " at (98.714, 100.981, -2.537), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 9348, " CA " at (97.844, 101.143, -4.498), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 9349, " C  " at (99.155, 100.843, -5.248), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 9350, " O  " at (100.222, 100.753, -4.648), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 9351, " CB " at (97.535, 102.646, -4.627), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 9352, " CG " at (96.233, 103.086, -3.995), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 9353, " CD1" at (95.059, 103.178, -4.756), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 9354, " CD2" at (96.179, 103.459, -2.659), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 9355, " CE1" at (93.846, 103.604, -4.173), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 9356, " CE2" at (94.963, 103.879, -2.067), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 9357, " CZ " at (93.796, 103.940, -2.824), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 9358, " N  " at (99.054, 100.684, -6.559), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 9359, " HN " at (98.119, 100.636, -6.964), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 9360, " CA " at (100.186, 100.574, -7.453), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 9361, " C  " at (100.335, 101.930, -8.111), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 9362, " O  " at (99.403, 102.407, -8.777), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 9363, " CB " at (99.932, 99.510, -8.517), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 9364, " OG " at (100.765, 99.719, -9.645), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 9365, " HG " at (100.607, 99.057, -10.307), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 9366, " N  " at (101.502, 102.544, -7.926), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 9367, " HN " at (102.230, 102.069, -7.392), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 9368, " CA " at (101.774, 103.874, -8.462), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 9369, " C  " at (103.248, 104.239, -8.370), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 9370, " O  " at (104.061, 103.465, -7.841), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 9371, " CB " at (100.906, 104.924, -7.757), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 9372, " SG " at (101.156, 105.057, -5.979), DEBUG: found_parm->rec_index = 5 was assigned atom type "SA" (rec_index= 5, atom_type= 5).
-Atom no. 9373, " N  " at (103.581, 105.403, -8.922), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 9374, " HN " at (102.839, 106.005, -9.278), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 9375, " CA " at (104.962, 105.853, -9.039), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 9376, " C  " at (105.551, 106.306, -7.707), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 9377, " O  " at (105.278, 107.400, -7.227), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 9378, " CB " at (105.068, 106.972, -10.078), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 9379, " CG " at (106.474, 107.139, -10.609), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 9380, " OD1" at (107.397, 106.465, -10.089), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 9381, " OD2" at (106.746, 107.941, -11.532), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 9382, " N  " at (106.368, 105.452, -7.114), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 9383, " HN " at (106.545, 104.551, -7.559), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 9384, " CA " at (107.027, 105.752, -5.844), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 9385, " C  " at (108.450, 106.317, -6.034), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 9386, " O  " at (109.091, 106.733, -5.071), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 9387, " CB " at (107.008, 104.497, -4.922), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 9388, " CG1" at (107.672, 104.762, -3.597), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 9389, " CG2" at (105.568, 104.045, -4.678), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 9390, " N  " at (108.925, 106.370, -7.280), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 9391, " HN " at (108.355, 106.023, -8.051), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 9392, " CA " at (110.260, 106.922, -7.555), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 9393, " C  " at (110.399, 108.368, -7.047), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 9394, " O  " at (109.472, 109.178, -7.165), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 9395, " CB " at (110.626, 106.825, -9.038), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 9396, " OG " at (109.795, 107.678, -9.801), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 9397, " HG " at (110.022, 107.618, -10.721), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 9398, " N  " at (111.560, 108.646, -6.456), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 9399, " HN " at (112.259, 107.907, -6.378), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 9400, " CA " at (111.870, 109.956, -5.919), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 9401, " C  " at (111.342, 110.234, -4.523), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 9402, " O  " at (111.486, 111.338, -4.030), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 9403, " N  " at (110.738, 109.237, -3.879), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 9404, " HN " at (110.710, 108.312, -4.309), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 9405, " CA " at (110.115, 109.434, -2.572), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 9406, " C  " at (111.081, 109.926, -1.516), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 9407, " O  " at (110.677, 110.653, -0.601), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 9408, " CB " at (109.402, 108.167, -2.061), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 9409, " CG1" at (110.395, 107.034, -1.749), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 9410, " CG2" at (108.556, 108.494, -0.848), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 9411, " N  " at (112.332, 109.489, -1.634), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 9412, " HN " at (112.563, 108.857, -2.400), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 9413, " CA " at (113.378, 109.881, -0.711), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 9414, " C  " at (114.311, 110.927, -1.346), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 9415, " O  " at (115.459, 111.058, -0.936), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 9416, " CB " at (114.150, 108.643, -0.191), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 9417, " CG " at (114.990, 108.946, 1.073), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 9418, " OD1" at (114.715, 109.949, 1.797), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 9419, " OD2" at (115.965, 108.237, 1.417), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 9420, " N  " at (113.804, 111.657, -2.346), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 9421, " HN " at (112.926, 111.357, -2.771), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 9422, " CA " at (114.455, 112.875, -2.863), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 9423, " C  " at (113.691, 114.085, -2.328), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 9424, " O  " at (112.693, 113.929, -1.619), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 9425, " CB " at (114.463, 112.927, -4.412), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 9426, " CG2" at (115.072, 111.644, -5.030), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 9427, " OG1" at (113.112, 112.956, -4.916), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 9428, " HG1" at (113.117, 112.988, -5.865), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 9429, " N  " at (114.133, 115.282, -2.694), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 9430, " HN " at (114.924, 115.348, -3.335), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 9431, " CA " at (113.511, 116.502, -2.199), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 9432, " C  " at (112.205, 116.837, -2.933), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 9433, " O  " at (111.240, 117.257, -2.307), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 9434, " CB " at (114.488, 117.674, -2.271), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 9435, " CG " at (114.578, 118.515, -0.999), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 9436, " CD " at (115.125, 119.914, -1.254), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 9437, " OE1" at (114.665, 120.557, -2.215), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 9438, " OE2" at (116.017, 120.383, -0.502), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 9439, " N  " at (112.191, 116.663, -4.253), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 9440, " HN " at (113.047, 116.343, -4.706), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 9441, " CA " at (111.011, 116.906, -5.091), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 9442, " C  " at (109.915, 115.852, -4.842), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 9443, " O  " at (108.757, 116.042, -5.217), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 9444, " CB " at (111.409, 116.936, -6.573), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 9445, " OG " at (111.662, 115.621, -7.035), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 9446, " HG " at (111.908, 115.640, -7.952), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 9447, " N  " at (110.308, 114.745, -4.212), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 9448, " HN " at (111.304, 114.614, -4.037), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 9449, " CA " at (109.388, 113.719, -3.763), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 9450, " C  " at (108.844, 112.814, -4.851), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 9451, " O  " at (109.209, 112.925, -6.030), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 9452, " N  " at (107.971, 111.898, -4.438), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 9453, " HN " at (107.780, 111.809, -3.440), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 9454, " CA " at (107.280, 111.019, -5.373), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 9455, " C  " at (105.888, 111.579, -5.682), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 9456, " O  " at (105.336, 112.379, -4.907), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 9457, " CB " at (107.175, 109.582, -4.797), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 9458, " N  " at (105.346, 111.186, -6.830), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 9459, " HN " at (105.903, 110.650, -7.495), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 9460, " CA " at (103.969, 111.513, -7.144), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 9461, " C  " at (103.157, 110.254, -7.479), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 9462, " O  " at (103.337, 109.633, -8.530), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 9463, " CB " at (103.914, 112.578, -8.229), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 9464, " CG2" at (102.584, 113.331, -8.149), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 9465, " OG1" at (104.886, 113.587, -7.919), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 9466, " HG1" at (105.712, 113.120, -7.969), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 9467, " N  " at (102.286, 109.882, -6.543), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 9468, " HN " at (102.237, 110.431, -5.685), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 9469, " CA " at (101.396, 108.729, -6.679), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 9470, " C  " at (100.041, 109.220, -7.174), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 9471, " O  " at (99.430, 110.113, -6.585), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 9472, " CB " at (101.230, 107.950, -5.348), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 9473, " SG " at (99.964, 106.608, -5.310), DEBUG: found_parm->rec_index = 5 was assigned atom type "SA" (rec_index= 5, atom_type= 5).
-Atom no. 9474, " N  " at (99.586, 108.638, -8.272), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 9475, " HN " at (100.142, 107.907, -8.717), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 9476, " CA " at (98.319, 109.016, -8.853), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 9477, " C  " at (97.261, 107.938, -8.557), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 9478, " O  " at (97.452, 106.741, -8.852), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 9479, " CB " at (98.486, 109.292, -10.345), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 9480, " CG " at (97.195, 109.384, -11.165), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 9481, " CD " at (97.433, 109.533, -12.696), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 9482, " NE " at (97.738, 108.268, -13.380), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 9483, " HE " at (96.971, 107.615, -13.538), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 9484, " CZ " at (98.954, 107.917, -13.809), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 9485, " NH1" at (99.997, 108.724, -13.611), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 9486, "1HH1" at (99.862, 109.614, -13.131), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 9487, "2HH1" at (100.925, 108.456, -13.938), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 9488, " NH2" at (99.130, 106.756, -14.436), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 9489, "1HH2" at (98.332, 106.139, -14.587), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 9490, "2HH2" at (100.058, 106.488, -14.763), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 9491, " N  " at (96.166, 108.357, -7.938), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 9492, " HN " at (96.095, 109.336, -7.661), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 9493, " CA " at (95.061, 107.453, -7.643), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 9494, " C  " at (93.882, 107.810, -8.554), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 9495, " O  " at (93.425, 108.971, -8.576), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 9496, " CB " at (94.646, 107.511, -6.143), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 9497, " CG1" at (95.794, 107.041, -5.244), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 9498, " CG2" at (93.379, 106.681, -5.883), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 9499, " CD1" at (95.791, 107.714, -3.903), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 9500, " N  " at (93.426, 106.818, -9.321), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 9501, " HN " at (93.849, 105.893, -9.241), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 9502, " CA " at (92.342, 107.023, -10.267), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 9503, " C  " at (91.027, 106.424, -9.724), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 9504, " O  " at (90.933, 105.207, -9.465), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 9505, " CB " at (92.699, 106.446, -11.649), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 9506, " CG " at (91.517, 106.379, -12.615), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 9507, " CD " at (91.888, 105.679, -13.917), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 9508, " CE " at (90.650, 105.217, -14.675), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 9509, " NZ " at (91.054, 104.503, -15.946), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 9510, " HZ1" at (90.225, 104.194, -16.454), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 9511, " HZ2" at (91.698, 103.734, -15.763), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 9512, " HZ3" at (91.666, 105.076, -16.527), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 9513, " N  " at (90.036, 107.295, -9.532), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 9514, " HN " at (90.171, 108.278, -9.769), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 9515, " CA " at (88.766, 106.851, -8.987), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 9516, " C  " at (87.574, 107.193, -9.896), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 9517, " O  " at (87.407, 108.341, -10.301), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 9518, " CB " at (88.537, 107.447, -7.579), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 9519, " CG1" at (89.540, 106.884, -6.556), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 9520, " CG2" at (87.078, 107.182, -7.117), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 9521, " CD1" at (89.835, 107.914, -5.414), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 9522, " N  " at (86.737, 106.204, -10.190), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 9523, " HN " at (86.939, 105.255, -9.877), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 9524, " CA " at (85.535, 106.474, -10.957), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 9525, " C  " at (84.487, 105.411, -10.722), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 9526, " O  " at (84.732, 104.434, -9.995), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 9527, " N  " at (83.322, 105.614, -11.337), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 9528, " HN " at (83.193, 106.446, -11.913), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 9529, " CA " at (82.246, 104.672, -11.197), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 9530, " C  " at (82.659, 103.392, -11.961), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 9531, " O  " at (83.113, 103.466, -13.093), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 9532, " CB " at (80.950, 105.253, -11.773), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 9533, " OG " at (79.995, 104.220, -11.956), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 9534, " HG " at (79.192, 104.580, -12.313), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 9535, " N  " at (82.481, 102.249, -11.343), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 9536, " HN " at (82.080, 102.236, -10.405), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 9537, " CA " at (82.855, 100.991, -11.993), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 9538, " C  " at (81.944, 100.584, -13.163), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 9539, " O  " at (82.392, 100.046, -14.170), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 9540, " CB " at (82.919, 99.854, -10.955), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 9541, " CG " at (83.649, 98.661, -11.538), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 9542, " CD1" at (83.154, 97.413, -11.769), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 9543, " CD2" at (85.014, 98.638, -12.010), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 9544, " CE2" at (85.275, 97.330, -12.477), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 9545, " CE3" at (86.052, 99.578, -12.032), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 9546, " NE1" at (84.123, 96.607, -12.326), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 9547, " HE1" at (84.001, 95.628, -12.584), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 9548, " CZ2" at (86.524, 96.946, -12.987), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 9549, " CZ3" at (87.283, 99.199, -12.541), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 9550, " CH2" at (87.508, 97.886, -13.014), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 9551, " N  " at (80.648, 100.811, -13.009), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 9552, " HN " at (80.328, 101.328, -12.190), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 9553, " CA " at (79.662, 100.339, -13.984), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 9554, " C  " at (78.778, 101.414, -14.601), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 9555, " O  " at (77.985, 101.105, -15.473), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 9556, " CB " at (78.737, 99.230, -13.450), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 9557, " CG2" at (79.524, 98.196, -12.654), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 9558, " OG1" at (77.757, 99.779, -12.533), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 9559, " HG1" at (77.186, 99.095, -12.204), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 9560, " N  " at (78.875, 102.662, -14.137), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 9561, " HN " at (79.551, 102.886, -13.407), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 9562, " CA " at (78.017, 103.696, -14.675), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 9563, " C  " at (78.785, 104.670, -15.546), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 9564, " O  " at (79.696, 105.333, -15.076), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 9565, " CB " at (77.320, 104.444, -13.555), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 9566, " CG " at (76.165, 103.711, -12.991), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 9567, " CD2" at (74.938, 103.463, -13.504), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 9568, " ND1" at (76.201, 103.103, -11.753), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 9569, " HD1" at (77.001, 103.097, -11.120), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 9570, " CE1" at (75.036, 102.531, -11.518), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 9571, " NE2" at (74.249, 102.743, -12.561), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 9572, " HE2" at (73.285, 102.422, -12.649), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 9573, " N  " at (78.431, 104.731, -16.826), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 9574, " HN " at (77.678, 104.133, -17.166), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 9575, " CA " at (79.102, 105.640, -17.758), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 9576, " C  " at (78.699, 107.108, -17.562), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 9577, " O  " at (77.906, 107.435, -16.675), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 9578, " CB " at (78.912, 105.236, -19.239), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 9579, " CG " at (77.483, 105.143, -19.661), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 9580, " CD2" at (76.690, 104.070, -19.885), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 9581, " ND1" at (76.706, 106.251, -19.915), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 9582, " HD1" at (77.024, 107.219, -19.862), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 9583, " CE1" at (75.484, 105.865, -20.238), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 9584, " NE2" at (75.451, 104.546, -20.233), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 9585, " HE2" at (74.636, 103.973, -20.452), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 9586, " N  " at (79.217, 107.969, -18.447), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 9587, " HN " at (79.668, 107.607, -19.287), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 9588, " CA " at (79.153, 109.417, -18.240), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 9589, " C  " at (77.726, 109.984, -18.330), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 9590, " O  " at (77.436, 111.033, -17.763), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 9591, " CB " at (80.142, 110.174, -19.153), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 9592, " OG " at (79.513, 110.588, -20.358), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 9593, " HG " at (80.121, 111.054, -20.920), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 9594, " N  " at (76.817, 109.283, -18.989), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 9595, " HN " at (77.082, 108.437, -19.493), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 9596, " CA " at (75.422, 109.740, -18.985), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 9597, " C  " at (74.667, 109.336, -17.729), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 9598, " O  " at (73.525, 109.749, -17.533), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 9599, " CB " at (74.675, 109.300, -20.256), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 9600, " CG " at (75.242, 109.874, -21.594), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 9601, " CD " at (74.499, 109.395, -22.855), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 9602, " NE " at (74.398, 107.927, -23.012), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 9603, " HE " at (75.255, 107.421, -23.234), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 9604, " CZ " at (73.261, 107.197, -22.885), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 9605, " NH1" at (72.092, 107.771, -22.573), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 9606, "1HH1" at (72.068, 108.782, -22.440), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 9607, "2HH1" at (71.237, 107.222, -22.478), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 9608, " NH2" at (73.293, 105.872, -23.059), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 9609, "1HH2" at (74.183, 105.435, -23.297), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 9610, "2HH2" at (72.438, 105.323, -22.964), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 9611, " N  " at (75.315, 108.588, -16.841), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 9612, " HN " at (76.289, 108.337, -17.008), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 9613, " CA " at (74.642, 108.118, -15.620), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 9614, " C  " at (75.321, 108.642, -14.338), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 9615, " O  " at (74.643, 109.004, -13.357), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 9616, " CB " at (74.593, 106.591, -15.673), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 9617, " CG " at (73.743, 106.017, -16.809), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 9618, " CD " at (73.624, 104.475, -16.797), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 9619, " OE1" at (74.095, 103.855, -15.829), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 9620, " OE2" at (73.016, 103.856, -17.738), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 9621, " N  " at (76.659, 108.674, -14.350), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 9622, " HN " at (77.157, 108.271, -15.144), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 9623, " CA " at (77.427, 109.269, -13.259), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 9624, " C  " at (78.537, 110.174, -13.813), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 9625, " O  " at (79.344, 109.756, -14.645), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 9626, " CB " at (78.003, 108.190, -12.299), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 9627, " CG1" at (76.881, 107.502, -11.491), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 9628, " CG2" at (79.058, 108.775, -11.414), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 9629, " CD1" at (77.384, 106.465, -10.338), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 9630, " N  " at (78.566, 111.422, -13.348), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 9631, " HN " at (77.763, 111.787, -12.836), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 9632, " CA " at (79.731, 112.273, -13.562), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 9633, " C  " at (80.512, 112.407, -12.266), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 9634, " O  " at (79.917, 112.540, -11.205), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 9635, " CB " at (79.280, 113.653, -14.042), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 9636, " OG " at (78.631, 114.312, -12.968), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 9637, " HG " at (78.351, 115.169, -13.266), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 9638, " N  " at (81.833, 112.326, -12.328), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 9639, " HN " at (82.287, 112.140, -13.222), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 9640, " CA " at (82.646, 112.501, -11.125), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 9641, " C  " at (83.474, 113.768, -11.266), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 9642, " O  " at (84.136, 113.973, -12.289), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 9643, " CB " at (83.505, 111.253, -10.772), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 9644, " CG1" at (82.615, 110.083, -10.361), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 9645, " CG2" at (84.348, 110.816, -11.926), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 9646, " N  " at (83.361, 114.649, -10.273), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 9647, " HN " at (82.763, 114.412, -9.481), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 9648, " CA " at (84.054, 115.946, -10.260), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 9649, " C  " at (84.841, 116.106, -8.958), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 9650, " O  " at (84.379, 115.731, -7.878), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 9651, " CB " at (83.059, 117.111, -10.401), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 9652, " CG " at (82.713, 117.450, -11.882), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 9653, " OD1" at (81.708, 116.910, -12.403), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 9654, " OD2" at (83.352, 118.271, -12.596), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 9655, " N  " at (86.045, 116.651, -9.046), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 9656, " CA " at (86.736, 117.075, -7.834), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 9657, " C  " at (86.143, 118.390, -7.345), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 9658, " O  " at (86.285, 119.422, -8.027), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 9659, " CB " at (88.179, 117.258, -8.299), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 9660, " CG " at (88.083, 117.573, -9.768), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 9661, " CD " at (86.842, 116.890, -10.267), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 9662, " N  " at (85.435, 118.354, -6.217), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 9663, " HN " at (85.024, 117.476, -5.900), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 9664, " CA " at (85.245, 119.584, -5.426), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 9665, " C  " at (86.016, 119.456, -4.115), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 9666, " O  " at (85.619, 118.695, -3.200), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 9667, " CB " at (83.741, 119.991, -5.198), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 9668, " CG2" at (83.552, 121.520, -5.465), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 9669, " OG1" at (82.884, 119.359, -6.170), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 9670, " HG1" at (81.977, 119.605, -6.032), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 9671, " N  " at (87.148, 120.169, -4.079), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 9672, " HN " at (87.395, 120.700, -4.914), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 9673, " CA " at (88.070, 120.249, -2.925), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 9674, " C  " at (87.763, 121.474, -2.021), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 9675, " O  " at (88.205, 121.535, -0.850), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 9676, " CB " at (89.572, 120.194, -3.433), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 9677, " CG2" at (90.533, 121.111, -2.640), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 9678, " OG1" at (90.104, 118.868, -3.243), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 9679, " HG1" at (89.514, 118.305, -3.730), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 9680, " N  " at (86.986, 122.419, -2.575), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 9681, " HN " at (86.684, 122.277, -3.539), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 9682, " CA " at (86.538, 123.644, -1.894), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 9683, " C  " at (87.704, 124.552, -1.457), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 9684, " O  " at (87.490, 125.617, -0.850), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 9685, " CB " at (85.586, 123.320, -0.726), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 9686, " CG " at (84.255, 122.689, -1.147), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 9687, " CD " at (83.274, 122.498, 0.015), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 9688, " OE1" at (82.675, 123.503, 0.474), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 9689, " OE2" at (83.090, 121.341, 0.465), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 9690, " N  " at (88.925, 124.133, -1.813), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 9691, " HN " at (88.991, 123.300, -2.398), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 9692, " CA " at (90.172, 124.793, -1.417), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 9693, " C  " at (90.429, 124.748, 0.109), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 9694, " O  " at (90.415, 125.777, 0.806), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 9695, " CB " at (90.263, 126.213, -2.006), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 9696, " CG " at (91.268, 127.096, -1.279), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 9697, " ND2" at (90.759, 128.034, -0.489), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 9698, "1HD2" at (91.432, 128.626, -0.002), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 9699, "2HD2" at (89.754, 128.167, -0.374), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 9700, " OD1" at (92.484, 126.935, -1.418), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 9701, " N  " at (90.646, 123.533, 0.617), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 9702, " HN " at (90.483, 122.715, 0.029), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 9703, " CA " at (91.112, 123.337, 1.994), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 9704, " C  " at (92.492, 122.648, 2.017), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 9705, " O  " at (92.676, 121.596, 1.383), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 9706, " CB " at (90.080, 122.579, 2.852), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 9707, " OG " at (89.034, 121.985, 2.086), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 9708, " HG " at (88.398, 121.518, 2.615), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 9709, " N  " at (93.441, 123.276, 2.735), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 9710, " HN " at (93.157, 124.118, 3.236), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 9711, " CA " at (94.867, 122.862, 2.871), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 9712, " C  " at (95.162, 121.349, 2.747), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 9713, " O  " at (94.389, 120.522, 3.245), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 9714, " CB " at (95.438, 123.404, 4.198), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 9715, " CG " at (96.873, 123.925, 4.075), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 9716, " OD1" at (97.398, 124.045, 2.942), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 9717, " OD2" at (97.555, 124.248, 5.075), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 9718, " N  " at (96.288, 121.019, 2.098), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 9719, " HN " at (96.951, 121.764, 1.884), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 9720, " CA " at (96.633, 119.640, 1.670), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 9721, " C  " at (97.027, 118.697, 2.809), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 9722, " O  " at (96.464, 117.604, 2.967), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 9723, " CB " at (97.784, 119.660, 0.653), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 9724, " CG " at (97.422, 120.356, -0.633), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 9725, " OD1" at (96.221, 120.390, -0.983), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 9726, " OD2" at (98.283, 120.910, -1.355), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 9727, " N  " at (98.030, 119.135, 3.565), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 9728, " HN " at (98.507, 119.989, 3.276), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 9729, " CA " at (98.491, 118.474, 4.779), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 9730, " C  " at (97.536, 118.750, 5.960), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 9731, " O  " at (97.937, 118.588, 7.122), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 9732, " CB " at (99.901, 118.991, 5.132), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 9733, " OG " at (100.928, 118.254, 4.493), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 9734, " HG " at (101.796, 118.572, 4.710), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 9735, " N  " at (96.299, 119.180, 5.690), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 9736, " HN " at (95.940, 119.147, 4.736), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 9737, " CA " at (95.461, 119.701, 6.779), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 9738, " C  " at (95.236, 118.665, 7.897), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 9739, " O  " at (95.553, 118.939, 9.062), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 9740, " CB " at (94.153, 120.335, 6.263), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 9741, " CG " at (93.000, 120.396, 7.268), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 9742, " CD " at (92.920, 121.689, 8.070), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 9743, " OE1" at (93.977, 122.221, 8.486), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 9744, " OE2" at (91.784, 122.169, 8.305), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 9745, " N  " at (94.743, 117.479, 7.528), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 9746, " HN " at (94.546, 117.312, 6.541), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 9747, " CA " at (94.477, 116.415, 8.489), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 9748, " C  " at (95.494, 115.275, 8.431), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 9749, " O  " at (95.301, 114.215, 9.025), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 9750, " CB " at (93.062, 115.858, 8.289), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 9751, " CG " at (92.003, 116.905, 8.429), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 9752, " CD1" at (91.847, 117.590, 9.619), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 9753, " CD2" at (91.168, 117.223, 7.364), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 9754, " CE1" at (90.911, 118.571, 9.755), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 9755, " CE2" at (90.207, 118.207, 7.489), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 9756, " CZ " at (90.088, 118.875, 8.688), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 9757, " OH " at (89.146, 119.865, 8.846), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 9758, " HH " at (89.064, 120.326, 9.673), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 9759, " N  " at (96.575, 115.481, 7.703), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 9760, " HN " at (96.676, 116.356, 7.189), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 9761, " CA " at (97.624, 114.477, 7.623), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 9762, " C  " at (98.395, 114.366, 8.942), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 9763, " O  " at (98.708, 115.364, 9.572), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 9764, " CB " at (98.561, 114.813, 6.474), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 9765, " CG " at (99.488, 113.711, 6.127), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 9766, " CD1" at (99.024, 112.578, 5.457), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 9767, " CD2" at (100.835, 113.791, 6.481), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 9768, " CE1" at (99.889, 111.553, 5.132), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 9769, " CE2" at (101.706, 112.764, 6.170), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 9770, " CZ " at (101.225, 111.630, 5.503), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 9771, " N  " at (98.695, 113.139, 9.352), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 9772, " HN " at (98.460, 112.342, 8.760), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 9773, " CA " at (99.355, 112.909, 10.634), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 9774, " C  " at (100.740, 113.562, 10.734), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 9775, " O  " at (101.587, 113.369, 9.878), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 9776, " CB " at (99.475, 111.412, 10.906), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 9777, " OG " at (100.208, 111.180, 12.095), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 9778, " HG " at (100.283, 110.248, 12.264), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 9779, " N  " at (100.965, 114.319, 11.793), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 9780, " HN " at (100.197, 114.518, 12.434), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 9781, " CA " at (102.283, 114.877, 12.069), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 9782, " C  " at (103.287, 113.801, 12.493), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 9783, " O  " at (104.466, 114.083, 12.618), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 9784, " CB " at (102.198, 115.960, 13.156), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 9785, " CG " at (101.853, 115.401, 14.532), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 9786, " CD " at (101.556, 116.467, 15.568), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 9787, " NE2" at (100.269, 116.605, 15.929), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 9788, "1HE2" at (100.069, 117.322, 16.626), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 9789, "2HE2" at (99.514, 116.053, 15.523), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 9790, " OE1" at (102.484, 117.145, 16.067), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 9791, " N  " at (102.821, 112.568, 12.698), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 9792, " HN " at (101.839, 112.372, 12.505), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 9793, " CA " at (103.682, 111.481, 13.194), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 9794, " C  " at (104.122, 110.524, 12.089), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 9795, " O  " at (105.013, 109.696, 12.279), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 9796, " CB " at (102.992, 110.745, 14.345), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 9797, " CG " at (102.661, 111.676, 15.500), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 9798, " CD1" at (103.659, 112.382, 16.140), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 9799, " CD2" at (101.343, 111.859, 15.926), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 9800, " CE1" at (103.378, 113.238, 17.187), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 9801, " CE2" at (101.042, 112.729, 16.983), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 9802, " CZ " at (102.073, 113.412, 17.605), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 9803, " OH " at (101.832, 114.266, 18.644), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 9804, " HH " at (102.540, 114.735, 19.071), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 9805, " N  " at (103.518, 110.668, 10.925), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 9806, " HN " at (102.703, 111.278, 10.861), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 9807, " CA " at (103.979, 109.985, 9.741), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 9808, " C  " at (105.464, 110.218, 9.459), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 9809, " O  " at (106.072, 111.223, 9.847), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 9810, " CB " at (103.142, 110.398, 8.526), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 9811, " OG " at (103.453, 109.621, 7.388), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 9812, " HG " at (102.934, 109.877, 6.635), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 9813, " N  " at (106.034, 109.245, 8.767), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 9814, " HN " at (105.472, 108.430, 8.523), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 9815, " CA " at (107.410, 109.281, 8.341), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 9816, " C  " at (107.515, 110.125, 7.088), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 9817, " O  " at (108.618, 110.509, 6.681), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 9818, " CB " at (107.837, 107.867, 7.973), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 9819, " CG " at (108.802, 107.213, 8.946), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 9820, " CD " at (109.255, 105.841, 8.456), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 9821, " NE " at (108.111, 105.085, 7.933), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 9822, " HE " at (107.176, 105.429, 8.153), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 9823, " CZ " at (108.204, 103.976, 7.188), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 9824, " NH1" at (109.405, 103.486, 6.890), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 9825, "1HH1" at (109.476, 102.641, 6.323), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 9826, "2HH1" at (110.248, 103.955, 7.220), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 9827, " NH2" at (107.092, 103.357, 6.753), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 9828, "1HH2" at (107.163, 102.512, 6.186), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 9829, "2HH2" at (106.172, 103.733, 6.981), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 9830, " N  " at (106.374, 110.373, 6.458), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 9831, " HN " at (105.502, 110.064, 6.888), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 9832, " CA " at (106.313, 111.063, 5.188), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 9833, " C  " at (105.618, 112.416, 5.398), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 9834, " O  " at (104.979, 112.630, 6.430), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 9835, " CB " at (105.623, 110.172, 4.129), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 9836, " CG " at (106.148, 108.733, 4.103), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 9837, " CD1" at (105.641, 107.774, 4.966), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 9838, " CD2" at (107.177, 108.370, 3.260), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 9839, " CE1" at (106.137, 106.470, 4.982), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 9840, " CE2" at (107.692, 107.055, 3.261), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 9841, " CZ " at (107.178, 106.106, 4.133), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 9842, " N  " at (105.793, 113.339, 4.450), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 9843, " HN " at (106.436, 113.140, 3.684), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 9844, " CA " at (105.097, 114.625, 4.469), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 9845, " C  " at (104.519, 114.862, 3.093), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 9846, " O  " at (105.081, 114.415, 2.099), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 9847, " CB " at (106.024, 115.785, 4.890), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 9848, " CG " at (107.268, 115.961, 4.026), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 9849, " CD " at (108.222, 117.063, 4.515), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 9850, " OE1" at (107.782, 117.955, 5.268), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 9851, " OE2" at (109.413, 117.044, 4.134), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 9852, " N  " at (103.397, 115.561, 3.043), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 9853, " HN " at (102.986, 115.907, 3.910), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 9854, " CA " at (102.736, 115.848, 1.782), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 9855, " C  " at (103.177, 117.206, 1.262), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 9856, " O  " at (103.127, 118.211, 1.987), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 9857, " CB " at (101.215, 115.788, 1.961), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 9858, " CG1" at (100.793, 114.344, 2.243), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 9859, " CG2" at (100.514, 116.315, 0.717), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 9860, " CD1" at (99.342, 114.197, 2.505), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 9861, " N  " at (103.643, 117.223, 0.014), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 9862, " HN " at (103.703, 116.348, -0.507), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 9863, " CA " at (104.067, 118.456, -0.621), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 9864, " C  " at (102.903, 119.143, -1.332), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 9865, " O  " at (102.763, 120.364, -1.273), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 9866, " CB " at (105.220, 118.173, -1.574), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 9867, " CG " at (106.449, 117.507, -0.937), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 9868, " CD1" at (107.475, 117.148, -1.988), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 9869, " CD2" at (107.084, 118.382, 0.130), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 9870, " N  " at (102.060, 118.345, -1.972), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 9871, " HN " at (102.172, 117.336, -1.877), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 9872, " CA " at (100.981, 118.852, -2.805), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 9873, " C  " at (99.989, 117.751, -3.182), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 9874, " O  " at (100.370, 116.590, -3.359), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 9875, " CB " at (101.545, 119.461, -4.094), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 9876, " CG " at (100.709, 120.623, -4.619), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 9877, " OD1" at (99.563, 120.854, -4.135), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 9878, " OD2" at (101.123, 121.345, -5.544), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 9879, " N  " at (98.724, 118.143, -3.300), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 9880, " HN " at (98.478, 119.092, -3.018), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 9881, " CA " at (97.671, 117.272, -3.817), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 9882, " C  " at (96.949, 118.026, -4.939), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 9883, " O  " at (96.450, 119.133, -4.723), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 9884, " CB " at (96.675, 116.843, -2.711), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 9885, " CG1" at (95.657, 115.847, -3.251), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 9886, " CG2" at (97.407, 116.286, -1.505), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 9887, " N  " at (96.944, 117.453, -6.142), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 9888, " HN " at (97.507, 116.616, -6.296), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 9889, " CA " at (96.150, 117.995, -7.250), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 9890, " C  " at (95.168, 116.969, -7.831), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 9891, " O  " at (95.348, 115.770, -7.650), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 9892, " CB " at (97.038, 118.543, -8.389), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 9893, " CG2" at (97.957, 119.694, -7.910), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 9894, " OG1" at (97.948, 117.530, -8.834), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 9895, " HG1" at (97.384, 116.824, -9.128), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 9896, " N  " at (94.155, 117.457, -8.552), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 9897, " HN " at (94.054, 118.469, -8.632), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 9898, " CA " at (93.184, 116.597, -9.232), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 9899, " C  " at (92.959, 116.942, -10.716), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 9900, " O  " at (93.122, 118.097, -11.128), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 9901, " CB " at (91.848, 116.566, -8.497), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 9902, " CG " at (91.712, 117.495, -7.292), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 9903, " CD " at (91.648, 116.728, -5.962), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 9904, " NE2" at (92.725, 116.849, -5.188), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 9905, "1HE2" at (92.683, 116.340, -4.305), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 9906, "2HE2" at (93.540, 117.402, -5.454), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 9907, " OE1" at (90.634, 116.039, -5.631), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 9908, " N  " at (92.618, 115.917, -11.507), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 9909, " HN " at (92.582, 114.988, -11.088), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 9910, " CA " at (92.291, 116.034, -12.940), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 9911, " C  " at (91.055, 115.166, -13.225), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 9912, " O  " at (90.990, 114.017, -12.816), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 9913, " CB " at (93.464, 115.581, -13.831), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 9914, " CG " at (93.239, 115.775, -15.368), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 9915, " CD " at (94.344, 115.146, -16.261), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 9916, " CE " at (94.838, 116.105, -17.375), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 9917, " NZ " at (93.812, 116.504, -18.402), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 9918, " HZ1" at (94.137, 117.135, -19.135), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 9919, " HZ2" at (92.995, 116.902, -17.939), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 9920, " HZ3" at (93.398, 115.671, -18.820), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 9921, " N  " at (90.071, 115.739, -13.910), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 9922, " HN " at (90.143, 116.731, -14.135), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 9923, " CA " at (88.902, 115.010, -14.348), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 9924, " C  " at (89.255, 114.357, -15.660), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 9925, " O  " at (89.794, 115.012, -16.549), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 9926, " CB " at (87.761, 115.996, -14.557), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 9927, " CG " at (86.399, 115.424, -14.399), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 9928, " CD " at (85.714, 115.366, -15.735), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 9929, " CE " at (84.323, 115.960, -15.666), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 9930, " NZ " at (83.525, 115.459, -14.493), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 9931, " HZ1" at (82.588, 115.859, -14.447), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 9932, " HZ2" at (84.029, 115.611, -13.619), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 9933, " HZ3" at (83.486, 114.440, -14.489), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 9934, " N  " at (88.981, 113.059, -15.784), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 9935, " HN " at (88.630, 112.541, -14.978), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 9936, " CA " at (89.175, 112.366, -17.053), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 9937, " C  " at (87.899, 111.745, -17.585), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 9938, " O  " at (86.930, 111.620, -16.852), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 9939, " CB " at (90.278, 111.316, -16.951), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 9940, " CG " at (91.572, 111.906, -16.501), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 9941, " ND2" at (91.928, 111.681, -15.232), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 9942, "1HD2" at (92.813, 112.084, -14.924), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 9943, "2HD2" at (91.376, 111.110, -14.593), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 9944, " OD1" at (92.237, 112.594, -17.271), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 9945, " N  " at (87.928, 111.397, -18.875), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 9946, " HN " at (88.777, 111.600, -19.403), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 9947, " CA " at (86.836, 110.751, -19.576), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 9948, " C  " at (87.399, 109.707, -20.576), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 9949, " O  " at (87.854, 110.031, -21.670), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 9950, " CB " at (85.935, 111.804, -20.245), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 9951, " OG " at (84.938, 111.217, -21.056), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 9952, " HG " at (84.382, 111.867, -21.469), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 9953, " N  " at (87.344, 108.439, -20.175), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 9954, " HN " at (86.822, 108.215, -19.328), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 9955, " CA " at (88.004, 107.352, -20.904), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 9956, " C  " at (86.969, 106.377, -21.443), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 9957, " O  " at (86.101, 105.923, -20.678), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 9958, " CB " at (89.012, 106.559, -19.971), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 9959, " CG1" at (89.752, 105.446, -20.743), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 9960, " CG2" at (90.025, 107.506, -19.277), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 9961, " N  " at (87.057, 106.085, -22.750), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 9962, " HN " at (87.642, 106.676, -23.340), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 9963, " CA " at (86.353, 104.957, -23.373), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 9964, " C  " at (87.234, 103.685, -23.285), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 9965, " O  " at (88.383, 103.696, -23.712), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 9966, " CB " at (85.918, 105.280, -24.882), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 9967, " CG2" at (84.726, 104.413, -25.338), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 9968, " OG1" at (85.362, 106.595, -24.980), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 9969, " HG1" at (85.104, 106.786, -25.874), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 9970, " N  " at (86.704, 102.600, -22.717), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 9971, " HN " at (85.757, 102.653, -22.341), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 9972, " CA " at (87.442, 101.325, -22.615), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 9973, " C  " at (86.989, 100.345, -23.698), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 9974, " O  " at (85.831, 100.377, -24.134), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 9975, " CB " at (87.274, 100.666, -21.220), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 9976, " CG " at (87.682, 101.557, -20.068), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 9977, " CD1" at (88.990, 101.542, -19.560), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 9978, " CD2" at (86.777, 102.448, -19.522), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 9979, " CE1" at (89.357, 102.400, -18.535), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 9980, " CE2" at (87.130, 103.275, -18.535), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 9981, " CZ " at (88.409, 103.265, -18.036), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 9982, " OH " at (88.688, 104.139, -17.018), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 9983, " HH " at (88.034, 104.736, -16.674), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 9984, " N  " at (87.887, 99.454, -24.099), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 9985, " HN " at (88.799, 99.439, -23.642), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 9986, " CA " at (87.625, 98.494, -25.167), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 9987, " C  " at (86.357, 97.680, -25.017), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 9988, " O  " at (85.748, 97.325, -26.019), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 9989, " CB " at (88.809, 97.543, -25.335), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 9990, " OG " at (89.717, 98.078, -26.278), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 9991, " HG " at (90.453, 97.487, -26.382), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 9992, " N  " at (85.970, 97.389, -23.781), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 9993, " HN " at (86.495, 97.787, -23.002), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 9994, " CA " at (84.833, 96.530, -23.481), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 9995, " C  " at (83.514, 97.067, -23.993), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 9996, " O  " at (82.702, 96.318, -24.553), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 9997, " CB " at (84.714, 96.314, -21.964), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 9998, " SG " at (83.953, 97.671, -20.996), DEBUG: found_parm->rec_index = 5 was assigned atom type "SA" (rec_index= 5, atom_type= 5).
-Atom no. 9999, " N  " at (83.319, 98.367, -23.789), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 10000, " HN " at (84.134, 98.952, -23.605), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 10001, " CA " at (82.003, 99.005, -23.813), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 10002, " C  " at (82.107, 100.334, -24.551), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 10003, " O  " at (83.124, 100.999, -24.447), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 10004, " CB " at (81.514, 99.246, -22.374), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 10005, " SG " at (81.932, 97.915, -21.213), DEBUG: found_parm->rec_index = 5 was assigned atom type "SA" (rec_index= 5, atom_type= 5).
-Atom no. 10006, " N  " at (81.058, 100.725, -25.276), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 10007, " CA " at (81.144, 101.836, -26.246), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 10008, " C  " at (81.055, 103.266, -25.670), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 10009, " O  " at (81.430, 104.218, -26.371), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 10010, " CB " at (79.959, 101.560, -27.165), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 10011, " CG " at (78.928, 100.966, -26.221), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 10012, " CD " at (79.713, 100.118, -25.261), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 10013, " N  " at (80.582, 103.394, -24.432), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 10014, " HN " at (80.368, 102.539, -23.919), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 10015, " CA " at (80.346, 104.662, -23.754), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 10016, " C  " at (81.554, 105.004, -22.906), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 10017, " O  " at (82.313, 104.112, -22.531), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 10018, " CB " at (79.144, 104.500, -22.815), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 10019, " CG " at (77.783, 104.833, -23.403), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 10020, " CD " at (77.582, 106.332, -23.593), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 10021, " OE1" at (77.692, 107.097, -22.594), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 10022, " OE2" at (77.335, 106.752, -24.739), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 10023, " N  " at (81.711, 106.284, -22.579), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 10024, " HN " at (81.006, 106.945, -22.907), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 10025, " CA " at (82.821, 106.815, -21.783), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 10026, " C  " at (82.512, 106.794, -20.298), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 10027, " O  " at (81.349, 106.965, -19.892), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 10028, " CB " at (83.159, 108.238, -22.234), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 10029, " N  " at (83.546, 106.556, -19.484), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 10030, " HN " at (84.467, 106.396, -19.893), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 10031, " CA " at (83.405, 106.516, -18.019), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 10032, " C  " at (84.274, 107.602, -17.455), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 10033, " O  " at (85.425, 107.757, -17.861), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 10034, " CB " at (83.859, 105.150, -17.472), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 10035, " CG " at (82.946, 104.040, -17.913), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 10036, " CD1" at (83.090, 103.449, -19.168), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 10037, " CD2" at (81.925, 103.601, -17.086), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 10038, " CE1" at (82.234, 102.433, -19.580), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 10039, " CE2" at (81.074, 102.596, -17.472), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 10040, " CZ " at (81.228, 102.014, -18.723), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 10041, " OH " at (80.395, 101.016, -19.131), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 10042, " HH " at (79.706, 100.729, -18.544), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 10043, " N  " at (83.737, 108.362, -16.524), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 10044, " HN " at (82.774, 108.191, -16.234), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 10045, " CA " at (84.482, 109.434, -15.903), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 10046, " C  " at (85.288, 108.984, -14.696), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 10047, " O  " at (84.890, 108.078, -13.959), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 10048, " CB " at (83.519, 110.563, -15.532), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 10049, " CG " at (82.971, 111.282, -16.779), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 10050, " CD " at (82.197, 112.541, -16.447), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 10051, " OE1" at (82.276, 113.011, -15.298), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 10052, " OE2" at (81.532, 113.081, -17.345), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 10053, " N  " at (86.436, 109.608, -14.505), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 10054, " HN " at (86.761, 110.285, -15.195), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 10055, " CA " at (87.239, 109.344, -13.330), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 10056, " C  " at (87.853, 110.634, -12.829), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 10057, " O  " at (87.956, 111.570, -13.578), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 10058, " CB " at (88.307, 108.273, -13.620), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 10059, " CG " at (89.434, 108.756, -14.566), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 10060, " OD1" at (90.266, 109.633, -14.185), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 10061, " OD2" at (89.605, 108.254, -15.708), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 10062, " N  " at (88.232, 110.674, -11.559), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 10063, " HN " at (87.903, 109.951, -10.920), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 10064, " CA " at (89.103, 111.720, -11.054), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 10065, " C  " at (90.455, 111.087, -10.714), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 10066, " O  " at (90.522, 110.062, -10.036), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 10067, " CB " at (88.519, 112.393, -9.781), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 10068, " CG1" at (89.552, 113.327, -9.134), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 10069, " CG2" at (87.269, 113.143, -10.105), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 10070, " N  " at (91.518, 111.696, -11.208), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 10071, " HN " at (91.378, 112.451, -11.879), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 10072, " CA " at (92.879, 111.340, -10.840), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 10073, " C  " at (93.382, 112.274, -9.739), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 10074, " O  " at (93.411, 113.506, -9.904), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 10075, " CB " at (93.809, 111.374, -12.059), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 10076, " CG " at (93.738, 110.088, -12.855), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 10077, " CD " at (94.433, 110.121, -14.212), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 10078, " OE1" at (95.081, 111.146, -14.596), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 10079, " OE2" at (94.318, 109.076, -14.903), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 10080, " N  " at (93.753, 111.686, -8.604), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 10081, " HN " at (93.679, 110.672, -8.528), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 10082, " CA " at (94.261, 112.441, -7.468), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 10083, " C  " at (95.765, 112.195, -7.359), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 10084, " O  " at (96.207, 111.064, -7.137), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 10085, " CB " at (93.547, 112.035, -6.177), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 10086, " CG1" at (94.110, 112.785, -4.968), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 10087, " CG2" at (92.035, 112.274, -6.299), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 10088, " N  " at (96.545, 113.262, -7.543), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 10089, " HN " at (96.110, 114.175, -7.677), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 10090, " CA " at (97.992, 113.164, -7.559), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 10091, " C  " at (98.531, 113.602, -6.216), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 10092, " O  " at (98.440, 114.789, -5.849), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 10093, " CB " at (98.589, 114.021, -8.680), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 10094, " OG " at (98.319, 113.457, -9.949), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 10095, " HG " at (98.689, 113.988, -10.644), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 10096, " N  " at (99.098, 112.636, -5.495), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 10097, " HN " at (99.109, 111.690, -5.876), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 10098, " CA " at (99.705, 112.862, -4.187), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 10099, " C  " at (101.236, 113.016, -4.310), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 10100, " O  " at (101.965, 112.066, -4.585), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 10101, " CB " at (99.316, 111.722, -3.250), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 10102, " CG " at (99.972, 111.636, -1.869), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 10103, " CD1" at (99.547, 112.794, -0.975), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 10104, " CD2" at (99.654, 110.316, -1.212), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 10105, " N  " at (101.716, 114.237, -4.141), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 10106, " HN " at (101.062, 115.007, -3.998), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 10107, " CA " at (103.145, 114.523, -4.152), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 10108, " C  " at (103.632, 114.497, -2.710), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 10109, " O  " at (103.231, 115.331, -1.885), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 10110, " CB " at (103.390, 115.873, -4.831), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 10111, " CG " at (104.872, 116.245, -4.951), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 10112, " ND2" at (105.765, 115.253, -5.081), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 10113, "1HD2" at (106.751, 115.501, -5.161), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 10114, "2HD2" at (105.494, 114.270, -5.090), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 10115, " OD1" at (105.195, 117.419, -4.940), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 10116, " N  " at (104.480, 113.521, -2.393), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 10117, " HN " at (104.830, 112.902, -3.124), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 10118, " CA " at (104.916, 113.325, -1.015), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 10119, " C  " at (106.373, 112.868, -0.946), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 10120, " O  " at (106.932, 112.465, -1.966), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 10121, " CB " at (104.003, 112.319, -0.317), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 10122, " CG " at (104.207, 110.902, -0.764), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 10123, " CD1" at (103.744, 110.476, -2.010), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 10124, " CD2" at (104.897, 110.003, 0.046), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 10125, " CE1" at (103.940, 109.172, -2.442), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 10126, " CE2" at (105.093, 108.693, -0.369), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 10127, " CZ " at (104.605, 108.269, -1.621), DEBUG: found_parm->rec_index = 0 was assigned atom type "A" (rec_index= 0, atom_type= 0).
-Atom no. 10128, " N  " at (106.974, 112.923, 0.248), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 10129, " HN " at (106.451, 113.295, 1.041), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 10130, " CA " at (108.353, 112.472, 0.467), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 10131, " C  " at (108.598, 111.911, 1.883), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 10132, " O  " at (107.761, 112.099, 2.777), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 10133, " CB " at (109.315, 113.623, 0.171), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 10134, " CG " at (109.476, 114.670, 1.270), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 10135, " CD " at (110.415, 115.865, 0.885), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 10136, " NE " at (110.145, 117.037, 1.730), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 10137, " HE " at (109.557, 116.897, 2.552), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 10138, " CZ " at (110.607, 118.272, 1.509), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 10139, " NH1" at (111.382, 118.513, 0.461), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 10140, "1HH1" at (111.734, 119.455, 0.292), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 10141, "2HH1" at (111.616, 117.754, -0.179), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 10142, " NH2" at (110.301, 119.264, 2.346), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 10143, "1HH2" at (110.653, 120.206, 2.177), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 10144, "2HH2" at (109.705, 119.079, 3.152), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 10145, " N  " at (109.728, 111.233, 2.094), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 10146, " HN " at (110.281, 110.929, 1.293), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 10147, " CA " at (110.200, 110.910, 3.456), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 10148, " C  " at (110.808, 112.176, 4.036), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 10149, " O  " at (111.585, 112.830, 3.353), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 10150, " CB " at (111.306, 109.850, 3.458), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 10151, " CG " at (110.935, 108.495, 2.857), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 10152, " CD " at (112.203, 107.606, 2.718), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 10153, " CE " at (111.868, 106.088, 2.676), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 10154, " NZ " at (111.378, 105.605, 1.340), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 10155, " HZ1" at (111.158, 104.609, 1.312), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 10156, " HZ2" at (112.045, 105.844, 0.607), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 10157, " HZ3" at (110.577, 106.157, 1.032), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 10158, " N  " at (110.469, 112.495, 5.286), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 10159, " HN " at (109.757, 111.935, 5.755), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 10160, " CA " at (111.071, 113.609, 6.015), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 10161, " C  " at (112.533, 113.324, 6.297), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 10162, " O  " at (112.980, 112.178, 6.173), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-Atom no. 10163, " CB " at (110.394, 113.808, 7.355), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 10164, " CG " at (108.930, 113.717, 7.344), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 10165, " CD " at (108.470, 114.027, 8.729), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 10166, " CE " at (106.957, 114.286, 8.740), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 10167, " NZ " at (106.527, 114.046, 10.128), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 10168, " HZ1" at (105.522, 114.218, 10.135), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 10169, " HZ2" at (107.042, 114.594, 10.817), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 10170, " HZ3" at (106.788, 113.127, 10.485), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 10171, " N  " at (113.266, 114.356, 6.704), DEBUG: found_parm->rec_index = 3 was assigned atom type "N" (rec_index= 3, atom_type= 3).
-Atom no. 10172, " HN " at (112.825, 115.270, 6.810), DEBUG: found_parm->rec_index = 2 was assigned atom type "HD" (rec_index= 2, atom_type= 2).
-Atom no. 10173, " CA " at (114.685, 114.211, 7.002), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 10174, " C  " at (115.066, 114.432, 8.471), DEBUG: found_parm->rec_index = 1 was assigned atom type "C" (rec_index= 1, atom_type= 1).
-Atom no. 10175, " O  " at (114.238, 114.825, 9.318), DEBUG: found_parm->rec_index = 4 was assigned atom type "OA" (rec_index= 4, atom_type= 4).
-
-Maximum partial atomic charge found = +0.665 e
-Minimum partial atomic charge found = -0.648 e
-
-Atom	Atom	Number of this Type
-Type	 ID 	 in Receptor
-____	____	___________________
- 0	 A		   685
- 1	 C		  4488
- 2	 HD		  1901
- 3	 N		  1415
- 4	 OA		  1661
- 5	 SA		    25
-
-Total number of atoms :		10175 atoms 
-Total charge :			-42.67 e
-
-
-Receptor coordinates fit within the following volume:
-
-                   _______(120.5, 128.6, 44.1)
-                  /|     /|
-                 / |    / |
-                /______/  |
-                |  |___|__| Midpoint = (87.2, 88.5, 4.2)
-                |  /   |  /
-                | /    | /
-                |/_____|/
-(53.9, 48.4, -35.7)      
-
-Maximum coordinates :		(120.545, 128.626, 44.078)
-Minimum coordinates :		(53.934, 48.416, -35.707)
-
-
-GPF> gridcenter 83.461 98.522 -16.407     # xyz-coordinates or auto
-
-Grid maps will be centered on user-defined coordinates:
-
-		(83.461, 98.522, -16.407)
-
-Grid maps will cover the following volume:
-
-                   _______(92.8, 107.9, -7.0)
-                  /|     /|
-                 / |    / |
-                /______/  |
-                |  |___|__| Midpoint = (83.5, 98.5, -16.4)
-                |  /   |  /
-                | /    | /
-                |/_____|/
-(74.1, 89.1, -25.8)      
-
-Grid map x-dimension :		18.8 Angstroms
-Grid map y-dimension :		18.8 Angstroms
-Grid map z-dimension :		18.8 Angstroms
-
-Maximum coordinates :		(92.836, 107.897, -7.032)
-Minimum coordinates :		(74.086, 89.147, -25.782)
-
-GPF> smooth 0.5                           # store minimum energy w/in rad(A)
-
-Potentials will be smoothed by: 0.500 Angstrom
-
-GPF> map protein.A.map                    # atom-specific affinity map
-
-Output Grid Map 1:   protein.A.map
-
-GPF> map protein.C.map                    # atom-specific affinity map
-
-Output Grid Map 2:   protein.C.map
-
-GPF> map protein.N.map                    # atom-specific affinity map
-
-Output Grid Map 3:   protein.N.map
-
-GPF> map protein.NA.map                   # atom-specific affinity map
-
-Output Grid Map 4:   protein.NA.map
-
-GPF> map protein.HD.map                   # atom-specific affinity map
-
-Output Grid Map 5:   protein.HD.map
-
-GPF> map protein.OA.map                   # atom-specific affinity map
-
-Output Grid Map 6:   protein.OA.map
-
-GPF> elecmap protein.e.map                # electrostatic potential map
-
-Output Electrostatic Potential Energy Grid Map: protein.e.map
-
-GPF> dsolvmap protein.d.map              # desolvation potential map
-
-Output Desolvation Free Energy Grid Map: protein.d.map
-
-GPF> dielectric -0.1465                   # <0, AD4 distance-dep.diel;>0, constant
-
-Using *distance-dependent* dielectric function of Mehler and Solmajer, Prot.Eng.4, 903-910.
-
-  d   Dielectric
- ___  __________
- 0.0     1.00
- 0.1     1.63
- 0.2     1.91
- 0.3     2.21
- 0.4     2.51
- 0.5     2.82
- 0.6     3.13
- 0.7     3.45
- 0.8     3.78
- 0.9     4.12
- 1.0     4.47
- 1.1     4.82
- 1.2     5.18
- 1.3     5.55
- 1.4     5.93
- 1.5     6.31
- 1.6     6.70
- 1.7     7.10
- 1.8     7.51
- 1.9     7.93
- 2.0     8.36
- 2.1     8.79
- 2.2     9.23
- 2.3     9.68
- 2.4    10.14
- 2.5    10.61
- 2.6    11.08
- 2.7    11.57
- 2.8    12.06
- 2.9    12.56
- 3.0    13.07
- 3.1    13.58
- 3.2    14.11
- 3.3    14.64
- 3.4    15.18
- 3.5    15.73
- 3.6    16.28
- 3.7    16.85
- 3.8    17.42
- 3.9    18.00
- 4.0    18.58
- 4.1    19.17
- 4.2    19.77
- 4.3    20.38
- 4.4    20.99
- 4.5    21.61
- 4.6    22.23
- 4.7    22.86
- 4.8    23.50
- 4.9    24.14
- 5.0    24.78
-
-
->>> Closing the grid parameter file (GPF)... <<<
-
-________________________________________________________________________________
-
-
-
-No Floating Grid was requested.
-
-
-Calculating Pairwise Interaction Energies
-=========================================
-
-
-              418256.0           204.2 
-    E    =  -----------  -  -----------
-     A, A         12               6
-                r               r 
-
-Calculating energies for A-A interactions.
-
-              418256.0           204.2 
-    E    =  -----------  -  -----------
-     A, C         12               6
-                r               r 
-
-Calculating energies for A-C interactions.
-
-                4837.8            13.3 
-    E    =  -----------  -  -----------
-     A, HD         12               6
-                r               r 
-
-Calculating energies for A-HD interactions.
-
-              199118.6           143.2 
-    E    =  -----------  -  -----------
-     A, N         12               6
-                r               r 
-
-Calculating energies for A-N interactions.
-
-              136402.3           125.3 
-    E    =  -----------  -  -----------
-     A, OA         12               6
-                r               r 
-
-Calculating energies for A-OA interactions.
-
-              482960.4           235.8 
-    E    =  -----------  -  -----------
-     A, SA         12               6
-                r               r 
-
-Calculating energies for A-SA interactions.
-
-
-Finding the lowest pairwise interaction energy within 0.5 Angstrom ("smoothing").
-
-  r     A        C        HD        N        OA        SA    
- ___ ________ ________ ________ ________ ________ ________
- 0.0    1e+05    1e+05    1e+05    1e+05    1e+05    1e+05
- 0.1    1e+05    1e+05    1e+05    1e+05    1e+05    1e+05
- 0.2    1e+05    1e+05    1e+05    1e+05    1e+05    1e+05
- 0.3    1e+05    1e+05    1e+05    1e+05    1e+05    1e+05
- 0.4    1e+05    1e+05    1e+05    1e+05    1e+05    1e+05
- 0.5    1e+05    1e+05    1e+05    1e+05    1e+05    1e+05
- 0.6    1e+05    1e+05 39163.05    1e+05    1e+05    1e+05
- 0.7    1e+05    1e+05 10145.88    1e+05    1e+05    1e+05
- 0.8    1e+05    1e+05  3011.18    1e+05 85097.42    1e+05
- 0.9 86719.80 86719.80   998.08 41263.64 28254.44    1e+05
- 1.0 31594.42 31594.42   362.44 15028.47 10287.47 36482.09
- 1.1 12443.86 12443.86   142.05  5916.19  4048.07 14368.93
- 1.2  5238.38  5238.38    59.37  2488.67  1701.76  6048.77
- 1.3  2335.37  2335.37    26.19  1108.35   757.21  2696.65
- 1.4  1094.39  1094.39    12.10   518.64   353.88  1263.69
- 1.5   535.71   535.71     5.80   253.38   172.59   618.58
- 1.6   272.47   272.47     2.87   128.53    87.35   314.62
- 1.7   143.34   143.34     1.45    67.38    45.64   165.51
- 1.8    77.68    77.68     0.75    36.34    24.52    89.70
- 1.9    43.21    43.21     0.39    20.09    13.48    49.90
- 2.0    24.59    24.59     0.20    11.34     7.56    28.40
- 2.1    14.27    14.27     0.10     6.52     4.30    16.48
- 2.2     8.42     8.42     0.05     3.79     2.47     9.73
- 2.3     5.04     5.04     0.02     2.23     1.42     5.82
- 2.4     3.05     3.05     0.00     1.31     0.82     3.52
- 2.5     1.85     1.85    -0.00     0.77     0.47     2.14
- 2.6     1.13     1.13    -0.01     0.45     0.26     1.30
- 2.7     0.69     0.69    -0.01     0.26     0.13     0.79
- 2.8     0.41     0.41    -0.01     0.14     0.06     0.48
- 2.9     0.24     0.24    -0.01     0.07     0.02     0.28
- 3.0     0.14     0.14    -0.01     0.02    -0.01     0.16
- 3.1     0.07     0.07    -0.01     0.00    -0.02     0.08
- 3.2     0.03     0.03    -0.01    -0.01    -0.03     0.03
- 3.3     0.00     0.00    -0.01    -0.02    -0.03     0.00
- 3.4    -0.01    -0.01    -0.01    -0.02    -0.03    -0.01
- 3.5    -0.02    -0.02    -0.01    -0.03    -0.03    -0.02
- 3.6    -0.02    -0.02    -0.01    -0.03    -0.03    -0.03
- 3.7    -0.02    -0.02    -0.01    -0.03    -0.03    -0.03
- 3.8    -0.02    -0.02    -0.01    -0.03    -0.03    -0.03
- 3.9    -0.02    -0.02    -0.00    -0.03    -0.03    -0.03
- 4.0    -0.02    -0.02    -0.00    -0.03    -0.03    -0.03
- 4.1    -0.02    -0.02    -0.00    -0.03    -0.03    -0.03
- 4.2    -0.02    -0.02    -0.00    -0.02    -0.02    -0.03
- 4.3    -0.02    -0.02    -0.00    -0.02    -0.02    -0.03
- 4.4    -0.02    -0.02    -0.00    -0.02    -0.02    -0.03
- 4.5    -0.02    -0.02    -0.00    -0.02    -0.02    -0.03
- 4.6    -0.02    -0.02    -0.00    -0.02    -0.02    -0.02
- 4.7    -0.02    -0.02    -0.00    -0.02    -0.01    -0.02
- 4.8    -0.02    -0.02    -0.00    -0.01    -0.01    -0.02
- 4.9    -0.02    -0.02    -0.00    -0.01    -0.01    -0.02
- 5.0    -0.01    -0.01    -0.00    -0.01    -0.01    -0.02
-
-
-              418256.0           204.2 
-    E    =  -----------  -  -----------
-     C, A         12               6
-                r               r 
-
-Calculating energies for C-A interactions.
-
-              418256.0           204.2 
-    E    =  -----------  -  -----------
-     C, C         12               6
-                r               r 
-
-Calculating energies for C-C interactions.
-
-                4837.8            13.3 
-    E    =  -----------  -  -----------
-     C, HD         12               6
-                r               r 
-
-Calculating energies for C-HD interactions.
-
-              199118.6           143.2 
-    E    =  -----------  -  -----------
-     C, N         12               6
-                r               r 
-
-Calculating energies for C-N interactions.
-
-              136402.3           125.3 
-    E    =  -----------  -  -----------
-     C, OA         12               6
-                r               r 
-
-Calculating energies for C-OA interactions.
-
-              482960.4           235.8 
-    E    =  -----------  -  -----------
-     C, SA         12               6
-                r               r 
-
-Calculating energies for C-SA interactions.
-
-
-Finding the lowest pairwise interaction energy within 0.5 Angstrom ("smoothing").
-
-  r     A        C        HD        N        OA        SA    
- ___ ________ ________ ________ ________ ________ ________
- 0.0    1e+05    1e+05    1e+05    1e+05    1e+05    1e+05
- 0.1    1e+05    1e+05    1e+05    1e+05    1e+05    1e+05
- 0.2    1e+05    1e+05    1e+05    1e+05    1e+05    1e+05
- 0.3    1e+05    1e+05    1e+05    1e+05    1e+05    1e+05
- 0.4    1e+05    1e+05    1e+05    1e+05    1e+05    1e+05
- 0.5    1e+05    1e+05    1e+05    1e+05    1e+05    1e+05
- 0.6    1e+05    1e+05 39163.05    1e+05    1e+05    1e+05
- 0.7    1e+05    1e+05 10145.88    1e+05    1e+05    1e+05
- 0.8    1e+05    1e+05  3011.18    1e+05 85097.42    1e+05
- 0.9 86719.80 86719.80   998.08 41263.64 28254.44    1e+05
- 1.0 31594.42 31594.42   362.44 15028.47 10287.47 36482.09
- 1.1 12443.86 12443.86   142.05  5916.19  4048.07 14368.93
- 1.2  5238.38  5238.38    59.37  2488.67  1701.76  6048.77
- 1.3  2335.37  2335.37    26.19  1108.35   757.21  2696.65
- 1.4  1094.39  1094.39    12.10   518.64   353.88  1263.69
- 1.5   535.71   535.71     5.80   253.38   172.59   618.58
- 1.6   272.47   272.47     2.87   128.53    87.35   314.62
- 1.7   143.34   143.34     1.45    67.38    45.64   165.51
- 1.8    77.68    77.68     0.75    36.34    24.52    89.70
- 1.9    43.21    43.21     0.39    20.09    13.48    49.90
- 2.0    24.59    24.59     0.20    11.34     7.56    28.40
- 2.1    14.27    14.27     0.10     6.52     4.30    16.48
- 2.2     8.42     8.42     0.05     3.79     2.47     9.73
- 2.3     5.04     5.04     0.02     2.23     1.42     5.82
- 2.4     3.05     3.05     0.00     1.31     0.82     3.52
- 2.5     1.85     1.85    -0.00     0.77     0.47     2.14
- 2.6     1.13     1.13    -0.01     0.45     0.26     1.30
- 2.7     0.69     0.69    -0.01     0.26     0.13     0.79
- 2.8     0.41     0.41    -0.01     0.14     0.06     0.48
- 2.9     0.24     0.24    -0.01     0.07     0.02     0.28
- 3.0     0.14     0.14    -0.01     0.02    -0.01     0.16
- 3.1     0.07     0.07    -0.01     0.00    -0.02     0.08
- 3.2     0.03     0.03    -0.01    -0.01    -0.03     0.03
- 3.3     0.00     0.00    -0.01    -0.02    -0.03     0.00
- 3.4    -0.01    -0.01    -0.01    -0.02    -0.03    -0.01
- 3.5    -0.02    -0.02    -0.01    -0.03    -0.03    -0.02
- 3.6    -0.02    -0.02    -0.01    -0.03    -0.03    -0.03
- 3.7    -0.02    -0.02    -0.01    -0.03    -0.03    -0.03
- 3.8    -0.02    -0.02    -0.01    -0.03    -0.03    -0.03
- 3.9    -0.02    -0.02    -0.00    -0.03    -0.03    -0.03
- 4.0    -0.02    -0.02    -0.00    -0.03    -0.03    -0.03
- 4.1    -0.02    -0.02    -0.00    -0.03    -0.03    -0.03
- 4.2    -0.02    -0.02    -0.00    -0.02    -0.02    -0.03
- 4.3    -0.02    -0.02    -0.00    -0.02    -0.02    -0.03
- 4.4    -0.02    -0.02    -0.00    -0.02    -0.02    -0.03
- 4.5    -0.02    -0.02    -0.00    -0.02    -0.02    -0.03
- 4.6    -0.02    -0.02    -0.00    -0.02    -0.02    -0.02
- 4.7    -0.02    -0.02    -0.00    -0.02    -0.01    -0.02
- 4.8    -0.02    -0.02    -0.00    -0.01    -0.01    -0.02
- 4.9    -0.02    -0.02    -0.00    -0.01    -0.01    -0.02
- 5.0    -0.01    -0.01    -0.00    -0.01    -0.01    -0.02
-
-
-              199118.6           143.2 
-    E    =  -----------  -  -----------
-     N, A         12               6
-                r               r 
-
-Calculating energies for N-A interactions.
-
-              199118.6           143.2 
-    E    =  -----------  -  -----------
-     N, C         12               6
-                r               r 
-
-Calculating energies for N-C interactions.
-
-                1758.7             8.1 
-    E    =  -----------  -  -----------
-     N, HD         12               6
-                r               r 
-
-Calculating energies for N-HD interactions.
-
-               89860.2            97.8 
-    E    =  -----------  -  -----------
-     N, N         12               6
-                r               r 
-
-Calculating energies for N-N interactions.
-
-               59394.2            84.0 
-    E    =  -----------  -  -----------
-     N, OA         12               6
-                r               r 
-
-Calculating energies for N-OA interactions.
-
-              229922.4           165.4 
-    E    =  -----------  -  -----------
-     N, SA         12               6
-                r               r 
-
-Calculating energies for N-SA interactions.
-
-
-Finding the lowest pairwise interaction energy within 0.5 Angstrom ("smoothing").
-
-  r     A        C        HD        N        OA        SA    
- ___ ________ ________ ________ ________ ________ ________
- 0.0    1e+05    1e+05    1e+05    1e+05    1e+05    1e+05
- 0.1    1e+05    1e+05    1e+05    1e+05    1e+05    1e+05
- 0.2    1e+05    1e+05    1e+05    1e+05    1e+05    1e+05
- 0.3    1e+05    1e+05    1e+05    1e+05    1e+05    1e+05
- 0.4    1e+05    1e+05    1e+05    1e+05    1e+05    1e+05
- 0.5    1e+05    1e+05 65176.02    1e+05    1e+05    1e+05
- 0.6    1e+05    1e+05 14227.90    1e+05    1e+05    1e+05
- 0.7    1e+05    1e+05  3683.63    1e+05    1e+05    1e+05
- 0.8    1e+05    1e+05  1092.07 56049.17 37030.99    1e+05
- 0.9 41263.64 41263.64   361.33 18606.77 12289.51 47647.15
- 1.0 15028.47 15028.47   130.85  6773.08  4471.40 17353.38
- 1.1  5916.19  5916.19    51.07  2664.19  1757.57  6831.43
- 1.2  2488.67  2488.67    21.21  1119.40   737.70  2873.67
- 1.3  1108.35  1108.35     9.27   497.70   327.51  1279.81
- 1.4   518.64   518.64     4.23   232.35   152.58   598.87
- 1.5   253.38   253.38     1.99   113.15    74.09   292.57
- 1.6   128.53   128.53     0.96    57.15    37.27   148.41
- 1.7    67.38    67.38     0.47    29.78    19.32    77.80
- 1.8    36.34    36.34     0.23    15.94    10.27    41.97
- 1.9    20.09    20.09     0.11     8.72     5.56    23.20
- 2.0    11.34    11.34     0.05     4.86     3.06    13.10
- 2.1     6.52     6.52     0.02     2.74     1.69     7.52
- 2.2     3.79     3.79     0.00     1.55     0.94     4.38
- 2.3     2.23     2.23    -0.01     0.88     0.51     2.57
- 2.4     1.31     1.31    -0.01     0.50     0.27     1.52
- 2.5     0.77     0.77    -0.01     0.27     0.13     0.89
- 2.6     0.45     0.45    -0.01     0.14     0.06     0.52
- 2.7     0.26     0.26    -0.01     0.06     0.01     0.30
- 2.8     0.14     0.14    -0.01     0.02    -0.01     0.16
- 2.9     0.07     0.07    -0.01    -0.00    -0.02     0.08
- 3.0     0.02     0.02    -0.01    -0.02    -0.03     0.03
- 3.1     0.00     0.00    -0.01    -0.02    -0.03     0.00
- 3.2    -0.01    -0.01    -0.01    -0.03    -0.03    -0.02
- 3.3    -0.02    -0.02    -0.01    -0.03    -0.03    -0.02
- 3.4    -0.02    -0.02    -0.01    -0.03    -0.03    -0.03
- 3.5    -0.03    -0.03    -0.01    -0.03    -0.03    -0.03
- 3.6    -0.03    -0.03    -0.00    -0.03    -0.03    -0.03
- 3.7    -0.03    -0.03    -0.00    -0.03    -0.03    -0.03
- 3.8    -0.03    -0.03    -0.00    -0.03    -0.03    -0.03
- 3.9    -0.03    -0.03    -0.00    -0.03    -0.02    -0.03
- 4.0    -0.03    -0.03    -0.00    -0.02    -0.02    -0.03
- 4.1    -0.03    -0.03    -0.00    -0.02    -0.02    -0.03
- 4.2    -0.02    -0.02    -0.00    -0.02    -0.02    -0.03
- 4.3    -0.02    -0.02    -0.00    -0.02    -0.02    -0.03
- 4.4    -0.02    -0.02    -0.00    -0.02    -0.01    -0.02
- 4.5    -0.02    -0.02    -0.00    -0.01    -0.01    -0.02
- 4.6    -0.02    -0.02    -0.00    -0.01    -0.01    -0.02
- 4.7    -0.02    -0.02    -0.00    -0.01    -0.01    -0.02
- 4.8    -0.01    -0.01    -0.00    -0.01    -0.01    -0.02
- 4.9    -0.01    -0.01    -0.00    -0.01    -0.01    -0.01
- 5.0    -0.01    -0.01    -0.00    -0.01    -0.01    -0.01
-
-
-              199118.6           143.2 
-    E    =  -----------  -  -----------
-     NA, A         12               6
-                r               r 
-
-Calculating energies for NA-A interactions.
-
-              199118.6           143.2 
-    E    =  -----------  -  -----------
-     NA, C         12               6
-                r               r 
-
-Calculating energies for NA-C interactions.
-
-                6689.7          2223.7 
-    E    =  -----------  -  -----------
-     NA, HD         12              10
-                r               r 
-
-Calculating energies for NA-HD interactions.
-
-               89860.2            97.8 
-    E    =  -----------  -  -----------
-     NA, N         12               6
-                r               r 
-
-Calculating energies for NA-N interactions.
-
-               59394.2            84.0 
-    E    =  -----------  -  -----------
-     NA, OA         12               6
-                r               r 
-
-Calculating energies for NA-OA interactions.
-
-              229922.4           165.4 
-    E    =  -----------  -  -----------
-     NA, SA         12               6
-                r               r 
-
-Calculating energies for NA-SA interactions.
-
-
-Finding the lowest pairwise interaction energy within 0.5 Angstrom ("smoothing").
-
-  r     A        C        HD        N        OA        SA    
- ___ ________ ________ ________ ________ ________ ________
- 0.0    1e+05    1e+05    1e+05    1e+05    1e+05    1e+05
- 0.1    1e+05    1e+05    1e+05    1e+05    1e+05    1e+05
- 0.2    1e+05    1e+05    1e+05    1e+05    1e+05    1e+05
- 0.3    1e+05    1e+05    1e+05    1e+05    1e+05    1e+05
- 0.4    1e+05    1e+05    1e+05    1e+05    1e+05    1e+05
- 0.5    1e+05    1e+05    1e+05    1e+05    1e+05    1e+05
- 0.6    1e+05    1e+05 41493.09    1e+05    1e+05    1e+05
- 0.7    1e+05    1e+05  9927.82    1e+05    1e+05    1e+05
- 0.8    1e+05    1e+05  2676.12 56049.17 37030.99    1e+05
- 0.9 41263.64 41263.64   788.68 18606.77 12289.51 47647.15
- 1.0 15028.47 15028.47   247.49  6773.08  4471.40 17353.38
- 1.1  5916.19  5916.19    80.46  2664.19  1757.57  6831.43
- 1.2  2488.67  2488.67    26.15  1119.40   737.70  2873.67
- 1.3  1108.35  1108.35     7.96   497.70   327.51  1279.81
- 1.4   518.64   518.64     1.87   232.35   152.58   598.87
- 1.5   253.38   253.38    -0.06   113.15    74.09   292.57
- 1.6   128.53   128.53    -0.56    57.15    37.27   148.41
- 1.7    67.38    67.38    -0.60    29.78    19.32    77.80
- 1.8    36.34    36.34    -0.60    15.94    10.27    41.97
- 1.9    20.09    20.09    -0.60     8.72     5.56    23.20
- 2.0    11.34    11.34    -0.60     4.86     3.06    13.10
- 2.1     6.52     6.52    -0.60     2.74     1.69     7.52
- 2.2     3.79     3.79    -0.58     1.55     0.94     4.38
- 2.3     2.23     2.23    -0.48     0.88     0.51     2.57
- 2.4     1.31     1.31    -0.37     0.50     0.27     1.52
- 2.5     0.77     0.77    -0.27     0.27     0.13     0.89
- 2.6     0.45     0.45    -0.20     0.14     0.06     0.52
- 2.7     0.26     0.26    -0.14     0.06     0.01     0.30
- 2.8     0.14     0.14    -0.10     0.02    -0.01     0.16
- 2.9     0.07     0.07    -0.07    -0.00    -0.02     0.08
- 3.0     0.02     0.02    -0.05    -0.02    -0.03     0.03
- 3.1     0.00     0.00    -0.04    -0.02    -0.03     0.00
- 3.2    -0.01    -0.01    -0.03    -0.03    -0.03    -0.02
- 3.3    -0.02    -0.02    -0.02    -0.03    -0.03    -0.02
- 3.4    -0.02    -0.02    -0.02    -0.03    -0.03    -0.03
- 3.5    -0.03    -0.03    -0.01    -0.03    -0.03    -0.03
- 3.6    -0.03    -0.03    -0.01    -0.03    -0.03    -0.03
- 3.7    -0.03    -0.03    -0.01    -0.03    -0.03    -0.03
- 3.8    -0.03    -0.03    -0.01    -0.03    -0.03    -0.03
- 3.9    -0.03    -0.03    -0.00    -0.03    -0.02    -0.03
- 4.0    -0.03    -0.03    -0.00    -0.02    -0.02    -0.03
- 4.1    -0.03    -0.03    -0.00    -0.02    -0.02    -0.03
- 4.2    -0.02    -0.02    -0.00    -0.02    -0.02    -0.03
- 4.3    -0.02    -0.02    -0.00    -0.02    -0.02    -0.03
- 4.4    -0.02    -0.02    -0.00    -0.02    -0.01    -0.02
- 4.5    -0.02    -0.02    -0.00    -0.01    -0.01    -0.02
- 4.6    -0.02    -0.02    -0.00    -0.01    -0.01    -0.02
- 4.7    -0.02    -0.02    -0.00    -0.01    -0.01    -0.02
- 4.8    -0.01    -0.01    -0.00    -0.01    -0.01    -0.02
- 4.9    -0.01    -0.01    -0.00    -0.01    -0.01    -0.01
- 5.0    -0.01    -0.01    -0.00    -0.01    -0.01    -0.01
-
-
-                4837.8            13.3 
-    E    =  -----------  -  -----------
-     HD, A         12               6
-                r               r 
-
-Calculating energies for HD-A interactions.
-
-                4837.8            13.3 
-    E    =  -----------  -  -----------
-     HD, C         12               6
-                r               r 
-
-Calculating energies for HD-C interactions.
-
-                  13.6             0.4 
-    E    =  -----------  -  -----------
-     HD, HD         12               6
-                r               r 
-
-Calculating energies for HD-HD interactions.
-
-                1758.7             8.1 
-    E    =  -----------  -  -----------
-     HD, N         12               6
-                r               r 
-
-Calculating energies for HD-N interactions.
-
-                6689.7          2223.7 
-    E    =  -----------  -  -----------
-     HD, OA         12              10
-                r               r 
-
-Calculating energies for HD-OA interactions.
-
-               36031.0          6918.0 
-    E    =  -----------  -  -----------
-     HD, SA         12              10
-                r               r 
-
-Calculating energies for HD-SA interactions.
-
-
-Finding the lowest pairwise interaction energy within 0.5 Angstrom ("smoothing").
-
-  r     A        C        HD        N        OA        SA    
- ___ ________ ________ ________ ________ ________ ________
- 0.0    1e+05    1e+05    1e+05    1e+05    1e+05    1e+05
- 0.1    1e+05    1e+05    1e+05    1e+05    1e+05    1e+05
- 0.2    1e+05    1e+05    1e+05    1e+05    1e+05    1e+05
- 0.3    1e+05    1e+05 22128.87    1e+05    1e+05    1e+05
- 0.4    1e+05    1e+05  2876.92    1e+05    1e+05    1e+05
- 0.5    1e+05    1e+05   502.35 65176.02    1e+05    1e+05
- 0.6 39163.05 39163.05   109.11 14227.90 41493.09    1e+05
- 0.7 10145.88 10145.88    27.99  3683.63  9927.82 62864.10
- 0.8  3011.18  3011.18     8.17  1092.07  2676.12 17831.34
- 0.9   998.08   998.08     2.63   361.33   788.68  5612.49
- 1.0   362.44   362.44     0.91   130.85   247.49  1921.63
- 1.1   142.05   142.05     0.33    51.07    80.46   704.40
- 1.2    59.37    59.37     0.12    21.21    26.15   272.79
- 1.3    26.19    26.19     0.04     9.27     7.96   110.29
- 1.4    12.10    12.10     0.01     4.23     1.87    46.03
- 1.5     5.80     5.80     0.00     1.99    -0.06    19.59
- 1.6     2.87     2.87    -0.00     0.96    -0.56     8.37
- 1.7     1.45     1.45    -0.00     0.47    -0.60     3.52
- 1.8     0.75     0.75    -0.00     0.23    -0.60     1.39
- 1.9     0.39     0.39    -0.00     0.11    -0.60     0.47
- 2.0     0.20     0.20    -0.00     0.05    -0.60     0.08
- 2.1     0.10     0.10    -0.00     0.02    -0.60    -0.07
- 2.2     0.05     0.05    -0.00     0.00    -0.58    -0.12
- 2.3     0.02     0.02    -0.00    -0.01    -0.48    -0.12
- 2.4     0.00     0.00    -0.00    -0.01    -0.37    -0.12
- 2.5    -0.00    -0.00    -0.00    -0.01    -0.27    -0.12
- 2.6    -0.01    -0.01    -0.00    -0.01    -0.20    -0.12
- 2.7    -0.01    -0.01    -0.00    -0.01    -0.14    -0.12
- 2.8    -0.01    -0.01    -0.00    -0.01    -0.10    -0.12
- 2.9    -0.01    -0.01    -0.00    -0.01    -0.07    -0.10
- 3.0    -0.01    -0.01    -0.00    -0.01    -0.05    -0.09
- 3.1    -0.01    -0.01    -0.00    -0.01    -0.04    -0.07
- 3.2    -0.01    -0.01    -0.00    -0.01    -0.03    -0.06
- 3.3    -0.01    -0.01    -0.00    -0.01    -0.02    -0.04
- 3.4    -0.01    -0.01    -0.00    -0.01    -0.02    -0.03
- 3.5    -0.01    -0.01    -0.00    -0.01    -0.01    -0.03
- 3.6    -0.01    -0.01    -0.00    -0.00    -0.01    -0.02
- 3.7    -0.01    -0.01    -0.00    -0.00    -0.01    -0.02
- 3.8    -0.01    -0.01    -0.00    -0.00    -0.01    -0.01
- 3.9    -0.00    -0.00    -0.00    -0.00    -0.00    -0.01
- 4.0    -0.00    -0.00    -0.00    -0.00    -0.00    -0.01
- 4.1    -0.00    -0.00    -0.00    -0.00    -0.00    -0.01
- 4.2    -0.00    -0.00    -0.00    -0.00    -0.00    -0.00
- 4.3    -0.00    -0.00    -0.00    -0.00    -0.00    -0.00
- 4.4    -0.00    -0.00    -0.00    -0.00    -0.00    -0.00
- 4.5    -0.00    -0.00    -0.00    -0.00    -0.00    -0.00
- 4.6    -0.00    -0.00    -0.00    -0.00    -0.00    -0.00
- 4.7    -0.00    -0.00    -0.00    -0.00    -0.00    -0.00
- 4.8    -0.00    -0.00    -0.00    -0.00    -0.00    -0.00
- 4.9    -0.00    -0.00    -0.00    -0.00    -0.00    -0.00
- 5.0    -0.00    -0.00    -0.00    -0.00    -0.00    -0.00
-
-
-              136402.3           125.3 
-    E    =  -----------  -  -----------
-     OA, A         12               6
-                r               r 
-
-Calculating energies for OA-A interactions.
-
-              136402.3           125.3 
-    E    =  -----------  -  -----------
-     OA, C         12               6
-                r               r 
-
-Calculating energies for OA-C interactions.
-
-                6689.7          2223.7 
-    E    =  -----------  -  -----------
-     OA, HD         12              10
-                r               r 
-
-Calculating energies for OA-HD interactions.
-
-               59394.2            84.0 
-    E    =  -----------  -  -----------
-     OA, N         12               6
-                r               r 
-
-Calculating energies for OA-N interactions.
-
-               38323.1            71.4 
-    E    =  -----------  -  -----------
-     OA, OA         12               6
-                r               r 
-
-Calculating energies for OA-OA interactions.
-
-              157503.8           144.7 
-    E    =  -----------  -  -----------
-     OA, SA         12               6
-                r               r 
-
-Calculating energies for OA-SA interactions.
-
-
-Finding the lowest pairwise interaction energy within 0.5 Angstrom ("smoothing").
-
-  r     A        C        HD        N        OA        SA    
- ___ ________ ________ ________ ________ ________ ________
- 0.0    1e+05    1e+05    1e+05    1e+05    1e+05    1e+05
- 0.1    1e+05    1e+05    1e+05    1e+05    1e+05    1e+05
- 0.2    1e+05    1e+05    1e+05    1e+05    1e+05    1e+05
- 0.3    1e+05    1e+05    1e+05    1e+05    1e+05    1e+05
- 0.4    1e+05    1e+05    1e+05    1e+05    1e+05    1e+05
- 0.5    1e+05    1e+05    1e+05    1e+05    1e+05    1e+05
- 0.6    1e+05    1e+05 41493.09    1e+05    1e+05    1e+05
- 0.7    1e+05    1e+05  9927.82    1e+05 80420.75    1e+05
- 0.8 85097.42 85097.42  2676.12 37030.99 23880.09 98262.04
- 0.9 28254.44 28254.44   788.68 12289.51  7921.79 32625.42
- 1.0 10287.47 10287.47   247.49  4471.40  2880.38 11878.94
- 1.1  4048.07  4048.07    80.46  1757.57  1131.08  4674.31
- 1.2  1701.76  1701.76    26.15   737.70   474.06  1965.03
- 1.3   757.21   757.21     7.96   327.51   210.03   874.35
- 1.4   353.88   353.88     1.87   152.58    97.57   408.63
- 1.5   172.59   172.59    -0.06    74.09    47.19   199.29
- 1.6    87.35    87.35    -0.56    37.27    23.61   100.86
- 1.7    45.64    45.64    -0.60    19.32    12.15    52.71
- 1.8    24.52    24.52    -0.60    10.27     6.39    28.31
- 1.9    13.48    13.48    -0.60     5.56     3.41    15.57
- 2.0     7.56     7.56    -0.60     3.06     1.84     8.72
- 2.1     4.30     4.30    -0.60     1.69     0.99     4.96
- 2.2     2.47     2.47    -0.58     0.94     0.52     2.85
- 2.3     1.42     1.42    -0.48     0.51     0.27     1.65
- 2.4     0.82     0.82    -0.37     0.27     0.12     0.95
- 2.5     0.47     0.47    -0.27     0.13     0.05     0.54
- 2.6     0.26     0.26    -0.20     0.06     0.00     0.30
- 2.7     0.13     0.13    -0.14     0.01    -0.02     0.15
- 2.8     0.06     0.06    -0.10    -0.01    -0.03     0.07
- 2.9     0.02     0.02    -0.07    -0.02    -0.03     0.02
- 3.0    -0.01    -0.01    -0.05    -0.03    -0.03    -0.01
- 3.1    -0.02    -0.02    -0.04    -0.03    -0.03    -0.02
- 3.2    -0.03    -0.03    -0.03    -0.03    -0.03    -0.03
- 3.3    -0.03    -0.03    -0.02    -0.03    -0.03    -0.03
- 3.4    -0.03    -0.03    -0.02    -0.03    -0.03    -0.03
- 3.5    -0.03    -0.03    -0.01    -0.03    -0.03    -0.03
- 3.6    -0.03    -0.03    -0.01    -0.03    -0.03    -0.03
- 3.7    -0.03    -0.03    -0.01    -0.03    -0.03    -0.03
- 3.8    -0.03    -0.03    -0.01    -0.03    -0.03    -0.03
- 3.9    -0.03    -0.03    -0.00    -0.02    -0.02    -0.03
- 4.0    -0.03    -0.03    -0.00    -0.02    -0.02    -0.03
- 4.1    -0.03    -0.03    -0.00    -0.02    -0.02    -0.03
- 4.2    -0.02    -0.02    -0.00    -0.02    -0.02    -0.03
- 4.3    -0.02    -0.02    -0.00    -0.02    -0.01    -0.02
- 4.4    -0.02    -0.02    -0.00    -0.01    -0.01    -0.02
- 4.5    -0.02    -0.02    -0.00    -0.01    -0.01    -0.02
- 4.6    -0.02    -0.02    -0.00    -0.01    -0.01    -0.02
- 4.7    -0.01    -0.01    -0.00    -0.01    -0.01    -0.02
- 4.8    -0.01    -0.01    -0.00    -0.01    -0.01    -0.01
- 4.9    -0.01    -0.01    -0.00    -0.01    -0.01    -0.01
- 5.0    -0.01    -0.01    -0.00    -0.01    -0.01    -0.01
-
-Beginning grid calculations.
-
-Calculating 8 grids over 132651 elements, around 10175 receptor atoms.
-
-                    Percent   Estimated Time  Time/this plane
-XY-plane  Z-coord   Done      Remaining       Real, User, System
-            /Ang              /sec            /sec
-________  ________  ________  ______________  __________________________
-
-    -25    -35.157     2.0%           44.00s  Real= 0.88,  CPU= 0.86,  System= 0.02
-    -24    -34.782     3.9%           43.12s  Real= 0.88,  CPU= 0.88,  System= 0.00
-    -23    -34.407     5.9%           42.24s  Real= 0.88,  CPU= 0.88,  System= 0.00
-    -22    -34.032     7.8%           41.36s  Real= 0.88,  CPU= 0.88,  System= 0.00
-    -21    -33.657     9.8%           40.48s  Real= 0.88,  CPU= 0.88,  System= 0.00
-    -20    -33.282    11.8%           40.05s  Real= 0.89,  CPU= 0.88,  System= 0.00
-    -19    -32.907    13.7%           39.16s  Real= 0.89,  CPU= 0.88,  System= 0.00
-    -18    -32.532    15.7%           37.84s  Real= 0.88,  CPU= 0.90,  System= 0.00
-    -17    -32.157    17.6%           37.38s  Real= 0.89,  CPU= 0.88,  System= 0.00
-    -16    -31.782    19.6%           36.49s  Real= 0.89,  CPU= 0.88,  System= 0.00
-    -15    -31.407    21.6%           35.20s  Real= 0.88,  CPU= 0.88,  System= 0.00
-    -14    -31.032    23.5%           34.71s  Real= 0.89,  CPU= 0.90,  System= 0.00
-    -13    -30.657    25.5%           33.82s  Real= 0.89,  CPU= 0.88,  System= 0.00
-    -12    -30.282    27.5%           32.93s  Real= 0.89,  CPU= 0.90,  System= 0.00
-    -11    -29.907    29.4%           32.04s  Real= 0.89,  CPU= 0.88,  System= 0.00
-    -10    -29.532    31.4%           31.15s  Real= 0.89,  CPU= 0.90,  System= 0.00
-     -9    -29.157    33.3%           30.60s  Real= 0.90,  CPU= 0.90,  System= 0.00
-     -8    -28.782    35.3%           29.37s  Real= 0.89,  CPU= 0.88,  System= 0.00
-     -7    -28.407    37.3%           28.48s  Real= 0.89,  CPU= 0.90,  System= 0.00
-     -6    -28.032    39.2%           27.90s  Real= 0.90,  CPU= 0.90,  System= 0.00
-     -5    -27.657    41.2%           26.70s  Real= 0.89,  CPU= 0.88,  System= 0.00
-     -4    -27.282    43.1%           26.10s  Real= 0.90,  CPU= 0.90,  System= 0.00
-     -3    -26.907    45.1%           24.92s  Real= 0.89,  CPU= 0.90,  System= 0.00
-     -2    -26.532    47.1%           24.03s  Real= 0.89,  CPU= 0.88,  System= 0.00
-     -1    -26.157    49.0%           23.40s  Real= 0.90,  CPU= 0.90,  System= 0.00
-      0    -25.782    51.0%           22.25s  Real= 0.89,  CPU= 0.90,  System= 0.00
-      1    -25.407    52.9%           21.36s  Real= 0.89,  CPU= 0.88,  System= 0.00
-      2    -25.032    54.9%           20.70s  Real= 0.90,  CPU= 0.90,  System= 0.00
-      3    -24.657    56.9%           19.80s  Real= 0.90,  CPU= 0.90,  System= 0.00
-      4    -24.282    58.8%           18.69s  Real= 0.89,  CPU= 0.90,  System= 0.00
-      5    -23.907    60.8%           17.80s  Real= 0.89,  CPU= 0.88,  System= 0.00
-      6    -23.532    62.7%           17.10s  Real= 0.90,  CPU= 0.90,  System= 0.00
-      7    -23.157    64.7%           16.20s  Real= 0.90,  CPU= 0.90,  System= 0.00
-      8    -22.782    66.7%           15.13s  Real= 0.89,  CPU= 0.90,  System= 0.00
-      9    -22.407    68.6%           14.40s  Real= 0.90,  CPU= 0.90,  System= 0.00
-     10    -22.032    70.6%           13.50s  Real= 0.90,  CPU= 0.88,  System= 0.00
-     11    -21.657    72.5%           12.46s  Real= 0.89,  CPU= 0.90,  System= 0.00
-     12    -21.282    74.5%           11.83s  Real= 0.91,  CPU= 0.90,  System= 0.00
-     13    -20.907    76.5%           10.80s  Real= 0.90,  CPU= 0.90,  System= 0.00
-     14    -20.532    78.4%            9.79s  Real= 0.89,  CPU= 0.90,  System= 0.00
-     15    -20.157    80.4%            9.00s  Real= 0.90,  CPU= 0.90,  System= 0.00
-     16    -19.782    82.4%            8.10s  Real= 0.90,  CPU= 0.90,  System= 0.00
-     17    -19.407    84.3%            7.12s  Real= 0.89,  CPU= 0.90,  System= 0.00
-     18    -19.032    86.3%            6.30s  Real= 0.90,  CPU= 0.90,  System= 0.00
-     19    -18.657    88.2%            5.34s  Real= 0.89,  CPU= 0.88,  System= 0.00
-     20    -18.282    90.2%            4.50s  Real= 0.90,  CPU= 0.90,  System= 0.00
-     21    -17.907    92.2%            3.56s  Real= 0.89,  CPU= 0.88,  System= 0.00
-     22    -17.532    94.1%            2.67s  Real= 0.89,  CPU= 0.90,  System= 0.00
-     23    -17.157    96.1%            1.78s  Real= 0.89,  CPU= 0.88,  System= 0.00
-     24    -16.782    98.0%            0.89s  Real= 0.89,  CPU= 0.90,  System= 0.00
-     25    -16.407   100.0%            0.00s  Real= 0.89,  CPU= 0.90,  System= 0.00
-
-Grid	Atom	Minimum   	Maximum
-Map 	Type	Energy    	Energy 
-		(kcal/mol)	(kcal/mol)
-____	____	_____________	_____________
- 1	 A	   -0.85	 2.02e+05
- 2	 C	   -0.96	 2.02e+05
- 3	 N	   -0.97	 2.01e+05
- 4	 NA	   -1.48	 2.01e+05
- 5	 HD	   -0.72	 1.09e+05
- 6	 OA	   -1.64	 2.00e+05
- 7	 e	  -35.07	 2.94e+01	Electrostatic Potential
- 8	 d	    0.00	 1.56e+00	Desolvation Potential
-
-
- * Note:  Every pairwise-atomic interaction was clamped at 100000.00
-
-
-autogrid4: Successful Completion.
-Real= 45.78s,  CPU= 45.66s,  System= 0.10s
diff --git a/example/hydrated_docking/protein.gpf b/example/hydrated_docking/protein.gpf
deleted file mode 100644
index 87725144..00000000
--- a/example/hydrated_docking/protein.gpf
+++ /dev/null
@@ -1,17 +0,0 @@
-npts 50 50 50                        # num.grid points in xyz
-gridfld protein.maps.fld             # grid_data_file
-spacing 0.375                        # spacing(A)
-receptor_types A C HD N OA SA        # receptor atom types
-ligand_types A C N NA HD OA          # ligand atom types *** ADD OA AND HD TYPES IF NOT PRESENT ***
-receptor protein.pdbqt               # macromolecule
-gridcenter 83.461 98.522 -16.407     # xyz-coordinates or auto
-smooth 0.5                           # store minimum energy w/in rad(A)
-map protein.A.map                    # atom-specific affinity map
-map protein.C.map                    # atom-specific affinity map
-map protein.N.map                    # atom-specific affinity map
-map protein.NA.map                   # atom-specific affinity map
-map protein.HD.map                   # atom-specific affinity map   *** ADD HD IF NOT PRESENT IN THE LIGAND TYPES ***
-map protein.OA.map                   # atom-specific affinity map   *** ADD OA IF NOT PRESENT IN THE LIGAND TYPES ***
-elecmap protein.e.map                # electrostatic potential map
-dsolvmap protein.d.map              # desolvation potential map
-dielectric -0.1465                   # <0, AD4 distance-dep.diel;>0, constant
diff --git a/example/hydrated_docking/protein.maps.fld b/example/hydrated_docking/protein.maps.fld
deleted file mode 100644
index 42dfc4f3..00000000
--- a/example/hydrated_docking/protein.maps.fld
+++ /dev/null
@@ -1,42 +0,0 @@
-# AVS field file
-#
-# AutoDock Atomic Affinity and Electrostatic Grids
-#
-# Created by autogrid4.
-#
-#SPACING 0.375
-#NELEMENTS 50 50 50
-#CENTER 83.461 98.522 -16.407
-#MACROMOLECULE protein.pdbqt
-#GRID_PARAMETER_FILE protein.gpf
-#
-ndim=3			# number of dimensions in the field
-dim1=51			# number of x-elements
-dim2=51			# number of y-elements
-dim3=51			# number of z-elements
-nspace=3		# number of physical coordinates per point
-veclen=8		# number of affinity values at each point
-data=float		# data type (byte, integer, float, double)
-field=uniform		# field type (uniform, rectilinear, irregular)
-coord 1 file=protein.maps.xyz filetype=ascii offset=0
-coord 2 file=protein.maps.xyz filetype=ascii offset=2
-coord 3 file=protein.maps.xyz filetype=ascii offset=4
-label=A-affinity	# component label for variable 1
-label=C-affinity	# component label for variable 2
-label=N-affinity	# component label for variable 3
-label=NA-affinity	# component label for variable 4
-label=HD-affinity	# component label for variable 5
-label=OA-affinity	# component label for variable 6
-label=Electrostatics	# component label for variable 6
-label=Desolvation	# component label for variable 7
-#
-# location of affinity grid files and how to read them
-#
-variable 1 file=protein.A.map filetype=ascii skip=6
-variable 2 file=protein.C.map filetype=ascii skip=6
-variable 3 file=protein.N.map filetype=ascii skip=6
-variable 4 file=protein.NA.map filetype=ascii skip=6
-variable 5 file=protein.HD.map filetype=ascii skip=6
-variable 6 file=protein.OA.map filetype=ascii skip=6
-variable 7 file=protein.e.map filetype=ascii skip=6
-variable 8 file=protein.d.map filetype=ascii skip=6
diff --git a/example/hydrated_docking/protein.maps.xyz b/example/hydrated_docking/protein.maps.xyz
deleted file mode 100644
index 95ba6bff..00000000
--- a/example/hydrated_docking/protein.maps.xyz
+++ /dev/null
@@ -1,3 +0,0 @@
-74.086 92.836
-89.147 107.897
--25.782 -7.032
diff --git a/example/hydrated_docking/protein.pdbqt b/example/hydrated_docking/protein.pdbqt
deleted file mode 100644
index b328def3..00000000
--- a/example/hydrated_docking/protein.pdbqt
+++ /dev/null
@@ -1,10180 +0,0 @@
-ATOM      1  N   GLU A   0      56.525 102.424 -21.123  1.00 21.77    -0.066 N 
-ATOM      2  HN1 GLU A   0      56.418 102.754 -22.082  1.00  0.00     0.275 HD
-ATOM      3  HN2 GLU A   0      55.668 102.605 -20.601  1.00  0.00     0.275 HD
-ATOM      4  HN3 GLU A   0      56.539 101.404 -21.111  1.00  0.00     0.275 HD
-ATOM      5  CA  GLU A   0      57.697 102.950 -20.361  1.00 22.63     0.275 C 
-ATOM      6  C   GLU A   0      57.859 102.450 -18.907  1.00 22.38     0.249 C 
-ATOM      7  O   GLU A   0      56.960 102.523 -18.080  1.00 22.39    -0.271 OA
-ATOM      8  CB  GLU A   0      57.776 104.492 -20.438  1.00 22.32     0.053 C 
-ATOM      9  CG  GLU A   0      58.012 105.204 -19.110  1.00 24.46     0.115 C 
-ATOM     10  CD  GLU A   0      58.814 106.486 -19.262  1.00 27.74     0.172 C 
-ATOM     11  OE1 GLU A   0      58.178 107.577 -19.436  1.00 26.76    -0.648 OA
-ATOM     12  OE2 GLU A   0      60.077 106.397 -19.211  1.00 27.17    -0.648 OA
-ATOM     13  N   PHE A   1      59.037 101.927 -18.631  1.00 22.65    -0.346 N 
-ATOM     14  HN  PHE A   1      59.676 101.740 -19.404  1.00  0.00     0.163 HD
-ATOM     15  CA  PHE A   1      59.474 101.603 -17.284  1.00 22.65     0.180 C 
-ATOM     16  C   PHE A   1      60.579 102.584 -16.954  1.00 21.88     0.241 C 
-ATOM     17  O   PHE A   1      61.337 102.955 -17.825  1.00 22.17    -0.271 OA
-ATOM     18  CB  PHE A   1      60.082 100.203 -17.243  1.00 22.60     0.073 C 
-ATOM     19  CG  PHE A   1      59.181  99.128 -17.782  1.00 24.66    -0.056 A 
-ATOM     20  CD1 PHE A   1      58.074  98.678 -17.044  1.00 26.25     0.007 A 
-ATOM     21  CD2 PHE A   1      59.442  98.557 -19.026  1.00 25.83     0.007 A 
-ATOM     22  CE1 PHE A   1      57.241  97.669 -17.536  1.00 27.91     0.001 A 
-ATOM     23  CE2 PHE A   1      58.620  97.544 -19.535  1.00 26.81     0.001 A 
-ATOM     24  CZ  PHE A   1      57.518  97.097 -18.786  1.00 28.25     0.000 A 
-ATOM     25  N   ASP A   2      60.694 102.993 -15.703  1.00 20.89    -0.345 N 
-ATOM     26  HN  ASP A   2      59.946 102.825 -15.030  1.00  0.00     0.163 HD
-ATOM     27  CA  ASP A   2      61.906 103.686 -15.305  1.00 20.25     0.186 C 
-ATOM     28  C   ASP A   2      62.894 102.704 -14.654  1.00 19.42     0.241 C 
-ATOM     29  O   ASP A   2      62.609 101.500 -14.490  1.00 18.66    -0.271 OA
-ATOM     30  CB  ASP A   2      61.609 104.909 -14.410  1.00 20.69     0.147 C 
-ATOM     31  CG  ASP A   2      60.949 104.548 -13.095  1.00 21.86     0.175 C 
-ATOM     32  OD1 ASP A   2      61.071 103.390 -12.626  1.00 22.77    -0.648 OA
-ATOM     33  OD2 ASP A   2      60.280 105.382 -12.450  1.00 23.89    -0.648 OA
-ATOM     34  N   ARG A   3      64.047 103.223 -14.266  1.00 18.49    -0.346 N 
-ATOM     35  HN  ARG A   3      64.207 104.226 -14.361  1.00  0.00     0.163 HD
-ATOM     36  CA  ARG A   3      65.092 102.374 -13.704  1.00 17.96     0.176 C 
-ATOM     37  C   ARG A   3      64.614 101.626 -12.479  1.00 17.11     0.241 C 
-ATOM     38  O   ARG A   3      64.905 100.447 -12.328  1.00 16.97    -0.271 OA
-ATOM     39  CB  ARG A   3      66.344 103.175 -13.360  1.00 17.85     0.036 C 
-ATOM     40  CG  ARG A   3      67.296 103.285 -14.513  1.00 18.78     0.023 C 
-ATOM     41  CD  ARG A   3      68.306 104.458 -14.398  1.00 19.51     0.138 C 
-ATOM     42  NE  ARG A   3      69.156 104.515 -15.581  1.00 21.82    -0.227 N 
-ATOM     43  HE  ARG A   3      69.932 103.855 -15.639  1.00  0.00     0.177 HD
-ATOM     44  CZ  ARG A   3      68.993 105.363 -16.586  1.00 25.78     0.665 C 
-ATOM     45  NH1 ARG A   3      68.028 106.299 -16.568  1.00 27.43    -0.235 N 
-ATOM     46 1HH1 ARG A   3      67.391 106.345 -15.772  1.00  0.00     0.174 HD
-ATOM     47 2HH1 ARG A   3      67.903 106.952 -17.342  1.00  0.00     0.174 HD
-ATOM     48  NH2 ARG A   3      69.818 105.303 -17.617  1.00 26.19    -0.235 N 
-ATOM     49 1HH2 ARG A   3      70.550 104.593 -17.631  1.00  0.00     0.174 HD
-ATOM     50 2HH2 ARG A   3      69.693 105.956 -18.391  1.00  0.00     0.174 HD
-ATOM     51  N   ALA A   4      63.891 102.331 -11.615  1.00 16.11    -0.346 N 
-ATOM     52  HN  ALA A   4      63.740 103.323 -11.798  1.00  0.00     0.163 HD
-ATOM     53  CA  ALA A   4      63.304 101.742 -10.415  1.00 15.77     0.172 C 
-ATOM     54  C   ALA A   4      62.413 100.541 -10.738  1.00 15.64     0.240 C 
-ATOM     55  O   ALA A   4      62.511  99.524 -10.070  1.00 14.99    -0.271 OA
-ATOM     56  CB  ALA A   4      62.527 102.796  -9.604  1.00 15.39     0.042 C 
-ATOM     57  N   ASP A   5      61.553 100.674 -11.753  1.00 15.92    -0.346 N 
-ATOM     58  HN  ASP A   5      61.505 101.570 -12.238  1.00  0.00     0.163 HD
-ATOM     59  CA  ASP A   5      60.668  99.578 -12.203  1.00 16.58     0.186 C 
-ATOM     60  C   ASP A   5      61.483  98.384 -12.728  1.00 15.78     0.241 C 
-ATOM     61  O   ASP A   5      61.243  97.225 -12.345  1.00 15.45    -0.271 OA
-ATOM     62  CB  ASP A   5      59.714 100.074 -13.290  1.00 17.03     0.147 C 
-ATOM     63  CG  ASP A   5      58.764 101.159 -12.799  1.00 20.90     0.175 C 
-ATOM     64  OD1 ASP A   5      58.457 101.194 -11.588  1.00 24.31    -0.648 OA
-ATOM     65  OD2 ASP A   5      58.254 102.031 -13.551  1.00 25.10    -0.648 OA
-ATOM     66  N   ILE A   6      62.451  98.676 -13.591  1.00 14.93    -0.346 N 
-ATOM     67  HN  ILE A   6      62.608  99.648 -13.857  1.00  0.00     0.163 HD
-ATOM     68  CA  ILE A   6      63.292  97.633 -14.165  1.00 14.85     0.180 C 
-ATOM     69  C   ILE A   6      63.957  96.836 -13.057  1.00 14.78     0.241 C 
-ATOM     70  O   ILE A   6      63.845  95.598 -13.011  1.00 13.88    -0.271 OA
-ATOM     71  CB  ILE A   6      64.339  98.205 -15.178  1.00 14.80     0.013 C 
-ATOM     72  CG1 ILE A   6      63.621  98.791 -16.395  1.00 13.92     0.002 C 
-ATOM     73  CG2 ILE A   6      65.310  97.117 -15.660  1.00 13.90     0.012 C 
-ATOM     74  CD1 ILE A   6      64.451  99.794 -17.153  1.00 13.02     0.005 C 
-ATOM     75  N   LEU A   7      64.579  97.557 -12.129  1.00 14.84    -0.346 N 
-ATOM     76  HN  LEU A   7      64.550  98.575 -12.185  1.00  0.00     0.163 HD
-ATOM     77  CA  LEU A   7      65.300  96.922 -11.035  1.00 15.80     0.177 C 
-ATOM     78  C   LEU A   7      64.401  96.164 -10.067  1.00 15.57     0.241 C 
-ATOM     79  O   LEU A   7      64.748  95.092  -9.625  1.00 14.82    -0.271 OA
-ATOM     80  CB  LEU A   7      66.216  97.918 -10.306  1.00 16.03     0.038 C 
-ATOM     81  CG  LEU A   7      67.411  98.295 -11.163  1.00 17.84    -0.020 C 
-ATOM     82  CD1 LEU A   7      67.964  99.697 -10.811  1.00 19.32     0.009 C 
-ATOM     83  CD2 LEU A   7      68.474  97.221 -11.020  1.00 19.49     0.009 C 
-ATOM     84  N   TYR A   8      63.242  96.724  -9.763  1.00 15.79    -0.346 N 
-ATOM     85  HN  TYR A   8      63.037  97.664 -10.101  1.00  0.00     0.163 HD
-ATOM     86  CA  TYR A   8      62.260  96.029  -8.961  1.00 16.70     0.180 C 
-ATOM     87  C   TYR A   8      61.869  94.695  -9.628  1.00 16.49     0.241 C 
-ATOM     88  O   TYR A   8      61.911  93.607  -9.002  1.00 15.96    -0.271 OA
-ATOM     89  CB  TYR A   8      61.030  96.919  -8.784  1.00 17.55     0.073 C 
-ATOM     90  CG  TYR A   8      59.891  96.309  -7.997  1.00 20.86    -0.056 A 
-ATOM     91  CD1 TYR A   8      60.006  96.083  -6.624  1.00 24.32     0.010 A 
-ATOM     92  CD2 TYR A   8      58.684  95.979  -8.623  1.00 23.15     0.010 A 
-ATOM     93  CE1 TYR A   8      58.944  95.531  -5.893  1.00 26.18     0.037 A 
-ATOM     94  CE2 TYR A   8      57.613  95.432  -7.895  1.00 25.33     0.037 A 
-ATOM     95  CZ  TYR A   8      57.756  95.209  -6.538  1.00 26.69     0.065 A 
-ATOM     96  OH  TYR A   8      56.716  94.671  -5.820  1.00 28.43    -0.361 OA
-ATOM     97  HH  TYR A   8      56.814  94.518  -4.888  1.00  0.00     0.217 HD
-ATOM     98  N   ASN A   9      61.502  94.771 -10.905  1.00 16.22    -0.346 N 
-ATOM     99  HN  ASN A   9      61.543  95.668 -11.390  1.00  0.00     0.163 HD
-ATOM    100  CA  ASN A   9      61.045  93.595 -11.613  1.00 16.49     0.185 C 
-ATOM    101  C   ASN A   9      62.101  92.492 -11.655  1.00 16.36     0.241 C 
-ATOM    102  O   ASN A   9      61.767  91.331 -11.525  1.00 15.82    -0.271 OA
-ATOM    103  CB  ASN A   9      60.556  93.953 -12.994  1.00 16.41     0.137 C 
-ATOM    104  CG  ASN A   9      59.246  94.729 -12.961  1.00 18.30     0.217 C 
-ATOM    105  ND2 ASN A   9      58.880  95.281 -14.095  1.00 17.79    -0.370 N 
-ATOM    106 1HD2 ASN A   9      58.003  95.801 -14.073  1.00  0.00     0.159 HD
-ATOM    107 2HD2 ASN A   9      59.425  95.187 -14.952  1.00  0.00     0.159 HD
-ATOM    108  OD1 ASN A   9      58.586  94.843 -11.923  1.00 19.25    -0.274 OA
-ATOM    109  N   ILE A  10      63.363  92.884 -11.824  1.00 16.57    -0.346 N 
-ATOM    110  HN  ILE A  10      63.556  93.878 -11.948  1.00  0.00     0.163 HD
-ATOM    111  CA  ILE A  10      64.480  91.943 -11.838  1.00 16.45     0.180 C 
-ATOM    112  C   ILE A  10      64.675  91.375 -10.442  1.00 17.00     0.241 C 
-ATOM    113  O   ILE A  10      64.773  90.169 -10.278  1.00 16.17    -0.271 OA
-ATOM    114  CB  ILE A  10      65.781  92.627 -12.333  1.00 16.65     0.013 C 
-ATOM    115  CG1 ILE A  10      65.762  92.788 -13.850  1.00 15.60     0.002 C 
-ATOM    116  CG2 ILE A  10      67.044  91.821 -11.894  1.00 15.99     0.012 C 
-ATOM    117  CD1 ILE A  10      66.843  93.669 -14.387  1.00 14.19     0.005 C 
-ATOM    118  N   ARG A  11      64.702  92.232  -9.435  1.00 17.04    -0.346 N 
-ATOM    119  HN  ARG A  11      64.622  93.235  -9.602  1.00  0.00     0.163 HD
-ATOM    120  CA  ARG A  11      64.848  91.713  -8.088  1.00 18.95     0.176 C 
-ATOM    121  C   ARG A  11      63.716  90.723  -7.761  1.00 18.76     0.241 C 
-ATOM    122  O   ARG A  11      63.953  89.649  -7.236  1.00 19.04    -0.271 OA
-ATOM    123  CB  ARG A  11      64.927  92.827  -7.053  1.00 19.16     0.036 C 
-ATOM    124  CG  ARG A  11      65.217  92.274  -5.642  1.00 23.82     0.023 C 
-ATOM    125  CD  ARG A  11      65.276  93.316  -4.501  1.00 28.35     0.138 C 
-ATOM    126  NE  ARG A  11      66.665  93.461  -4.074  1.00 34.63    -0.227 N 
-ATOM    127  HE  ARG A  11      67.324  93.839  -4.755  1.00  0.00     0.177 HD
-ATOM    128  CZ  ARG A  11      67.146  93.144  -2.876  1.00 35.02     0.665 C 
-ATOM    129  NH1 ARG A  11      66.347  92.664  -1.912  1.00 34.39    -0.235 N 
-ATOM    130 1HH1 ARG A  11      66.716  92.421  -0.993  1.00  0.00     0.174 HD
-ATOM    131 2HH1 ARG A  11      65.351  92.527  -2.083  1.00  0.00     0.174 HD
-ATOM    132  NH2 ARG A  11      68.445  93.322  -2.653  1.00 34.46    -0.235 N 
-ATOM    133 1HH2 ARG A  11      68.814  93.079  -1.734  1.00  0.00     0.174 HD
-ATOM    134 2HH2 ARG A  11      69.053  93.687  -3.386  1.00  0.00     0.174 HD
-ATOM    135  N   GLN A  12      62.487  91.086  -8.107  1.00 18.97    -0.346 N 
-ATOM    136  HN  GLN A  12      62.346  91.980  -8.578  1.00  0.00     0.163 HD
-ATOM    137  CA  GLN A  12      61.336  90.240  -7.831  1.00 18.54     0.177 C 
-ATOM    138  C   GLN A  12      61.369  88.901  -8.595  1.00 19.39     0.241 C 
-ATOM    139  O   GLN A  12      60.798  87.940  -8.131  1.00 18.78    -0.271 OA
-ATOM    140  CB  GLN A  12      60.033  91.014  -8.102  1.00 17.76     0.044 C 
-ATOM    141  CG  GLN A  12      59.793  92.143  -7.138  1.00 16.95     0.105 C 
-ATOM    142  CD  GLN A  12      59.680  91.629  -5.704  1.00 20.75     0.215 C 
-ATOM    143  NE2 GLN A  12      60.713  91.824  -4.910  1.00 17.08    -0.370 N 
-ATOM    144 1HE2 GLN A  12      60.638  91.481  -3.952  1.00  0.00     0.159 HD
-ATOM    145 2HE2 GLN A  12      61.554  92.318  -5.209  1.00  0.00     0.159 HD
-ATOM    146  OE1 GLN A  12      58.664  91.032  -5.343  1.00 24.32    -0.274 OA
-ATOM    147  N   THR A  13      62.034  88.825  -9.753  1.00 20.67    -0.344 N 
-ATOM    148  HN  THR A  13      62.645  89.587 -10.046  1.00  0.00     0.163 HD
-ATOM    149  CA  THR A  13      61.875  87.622 -10.607  1.00 21.36     0.205 C 
-ATOM    150  C   THR A  13      63.152  86.920 -11.121  1.00 22.72     0.243 C 
-ATOM    151  O   THR A  13      63.076  85.937 -11.877  1.00 21.84    -0.271 OA
-ATOM    152  CB  THR A  13      61.017  87.946 -11.836  1.00 21.53     0.146 C 
-ATOM    153  CG2 THR A  13      59.665  88.556 -11.458  1.00 19.88     0.042 C 
-ATOM    154  OG1 THR A  13      61.682  88.963 -12.598  1.00 19.62    -0.393 OA
-ATOM    155  HG1 THR A  13      61.150  89.164 -13.359  1.00  0.00     0.210 HD
-ATOM    156  N   SER A  14      64.313  87.470 -10.789  1.00 23.96    -0.344 N 
-ATOM    157  HN  SER A  14      64.324  88.375 -10.319  1.00  0.00     0.163 HD
-ATOM    158  CA  SER A  14      65.566  86.803 -11.085  1.00 25.02     0.200 C 
-ATOM    159  C   SER A  14      65.537  85.566 -10.174  1.00 24.41     0.243 C 
-ATOM    160  O   SER A  14      65.160  85.637  -8.961  1.00 25.06    -0.271 OA
-ATOM    161  CB  SER A  14      66.754  87.687 -10.693  1.00 25.07     0.199 C 
-ATOM    162  OG  SER A  14      66.628  87.986  -9.278  1.00 30.05    -0.398 OA
-ATOM    163  HG  SER A  14      67.365  88.534  -9.035  1.00  0.00     0.209 HD
-ATOM    164  N   ARG A  15      65.881  84.432 -10.761  1.00 22.42    -0.346 N 
-ATOM    165  HN  ARG A  15      65.976  84.390 -11.776  1.00  0.00     0.163 HD
-ATOM    166  CA  ARG A  15      66.124  83.245  -9.958  1.00 20.34     0.176 C 
-ATOM    167  C   ARG A  15      67.628  83.025  -9.995  1.00 19.21     0.243 C 
-ATOM    168  O   ARG A  15      68.135  82.371 -10.917  1.00 18.88    -0.271 OA
-ATOM    169  CB  ARG A  15      65.392  82.073 -10.583  1.00 19.99     0.036 C 
-ATOM    170  CG  ARG A  15      63.908  82.261 -10.602  1.00 20.53     0.023 C 
-ATOM    171  CD  ARG A  15      63.249  81.722  -9.356  1.00 24.30     0.138 C 
-ATOM    172  NE  ARG A  15      63.866  80.443  -8.979  1.00 28.88    -0.227 N 
-ATOM    173  HE  ARG A  15      64.812  80.474  -8.598  1.00  0.00     0.177 HD
-ATOM    174  CZ  ARG A  15      63.293  79.245  -9.093  1.00 23.57     0.665 C 
-ATOM    175  NH1 ARG A  15      62.055  79.128  -9.533  1.00 26.95    -0.235 N 
-ATOM    176 1HH1 ARG A  15      61.617  78.211  -9.620  1.00  0.00     0.174 HD
-ATOM    177 2HH1 ARG A  15      61.537  79.961  -9.813  1.00  0.00     0.174 HD
-ATOM    178  NH2 ARG A  15      63.964  78.167  -8.731  1.00 25.37    -0.235 N 
-ATOM    179 1HH2 ARG A  15      63.526  77.250  -8.818  1.00  0.00     0.174 HD
-ATOM    180 2HH2 ARG A  15      64.921  78.257  -8.391  1.00  0.00     0.174 HD
-ATOM    181  N   PRO A  16      68.342  83.610  -9.040  1.00 18.38    -0.337 N 
-ATOM    182  CA  PRO A  16      69.821  83.614  -9.049  1.00 17.81     0.179 C 
-ATOM    183  C   PRO A  16      70.508  82.243  -8.973  1.00 18.36     0.241 C 
-ATOM    184  O   PRO A  16      71.710  82.094  -9.372  1.00 18.18    -0.271 OA
-ATOM    185  CB  PRO A  16      70.201  84.419  -7.795  1.00 17.44     0.037 C 
-ATOM    186  CG  PRO A  16      68.938  84.520  -6.937  1.00 18.24     0.022 C 
-ATOM    187  CD  PRO A  16      67.768  84.332  -7.881  1.00 18.14     0.127 C 
-ATOM    188  N   ASP A  17      69.783  81.261  -8.459  1.00 18.07    -0.346 N 
-ATOM    189  HN  ASP A  17      68.848  81.458  -8.103  1.00  0.00     0.163 HD
-ATOM    190  CA  ASP A  17      70.305  79.906  -8.396  1.00 18.62     0.186 C 
-ATOM    191  C   ASP A  17      69.873  79.070  -9.590  1.00 18.34     0.241 C 
-ATOM    192  O   ASP A  17      70.133  77.848  -9.630  1.00 19.02    -0.271 OA
-ATOM    193  CB  ASP A  17      69.886  79.275  -7.068  1.00 19.45     0.147 C 
-ATOM    194  CG  ASP A  17      70.362  80.117  -5.835  1.00 23.45     0.175 C 
-ATOM    195  OD1 ASP A  17      71.528  80.654  -5.797  1.00 25.14    -0.648 OA
-ATOM    196  OD2 ASP A  17      69.612  80.321  -4.858  1.00 30.63    -0.648 OA
-ATOM    197  N   VAL A  18      69.230  79.707 -10.572  1.00 17.49    -0.346 N 
-ATOM    198  HN  VAL A  18      69.066  80.711 -10.497  1.00  0.00     0.163 HD
-ATOM    199  CA  VAL A  18      68.755  78.982 -11.759  1.00 17.35     0.180 C 
-ATOM    200  C   VAL A  18      69.546  79.353 -13.034  1.00 17.54     0.241 C 
-ATOM    201  O   VAL A  18      69.425  80.460 -13.542  1.00 16.93    -0.271 OA
-ATOM    202  CB  VAL A  18      67.224  79.150 -11.990  1.00 17.41     0.009 C 
-ATOM    203  CG1 VAL A  18      66.746  78.340 -13.214  1.00 17.05     0.012 C 
-ATOM    204  CG2 VAL A  18      66.458  78.731 -10.770  1.00 16.16     0.012 C 
-ATOM    205  N   ILE A  19      70.318  78.400 -13.556  1.00 17.41    -0.346 N 
-ATOM    206  HN  ILE A  19      70.399  77.507 -13.069  1.00  0.00     0.163 HD
-ATOM    207  CA  ILE A  19      71.050  78.594 -14.801  1.00 18.05     0.180 C 
-ATOM    208  C   ILE A  19      70.059  78.858 -15.942  1.00 18.87     0.243 C 
-ATOM    209  O   ILE A  19      69.117  78.078 -16.097  1.00 19.03    -0.271 OA
-ATOM    210  CB  ILE A  19      71.995  77.415 -15.104  1.00 17.82     0.013 C 
-ATOM    211  CG1 ILE A  19      72.804  77.658 -16.386  1.00 17.24     0.002 C 
-ATOM    212  CG2 ILE A  19      71.251  76.075 -15.111  1.00 16.76     0.012 C 
-ATOM    213  CD1 ILE A  19      73.822  76.587 -16.643  1.00 16.15     0.005 C 
-ATOM    214  N   PRO A  20      70.246  79.954 -16.691  1.00 19.80    -0.337 N 
-ATOM    215  CA  PRO A  20      69.276  80.399 -17.713  1.00 21.24     0.179 C 
-ATOM    216  C   PRO A  20      69.367  79.616 -19.005  1.00 22.73     0.241 C 
-ATOM    217  O   PRO A  20      69.561  80.153 -20.101  1.00 22.82    -0.271 OA
-ATOM    218  CB  PRO A  20      69.649  81.870 -17.946  1.00 20.62     0.037 C 
-ATOM    219  CG  PRO A  20      71.141  81.938 -17.647  1.00 20.73     0.022 C 
-ATOM    220  CD  PRO A  20      71.376  80.902 -16.564  1.00 20.27     0.127 C 
-ATOM    221  N   THR A  21      69.235  78.317 -18.858  1.00 24.68    -0.344 N 
-ATOM    222  HN  THR A  21      69.089  77.942 -17.921  1.00  0.00     0.163 HD
-ATOM    223  CA  THR A  21      69.289  77.403 -19.970  1.00 27.38     0.205 C 
-ATOM    224  C   THR A  21      68.006  77.597 -20.815  1.00 28.77     0.243 C 
-ATOM    225  O   THR A  21      66.939  77.786 -20.271  1.00 28.94    -0.271 OA
-ATOM    226  CB  THR A  21      69.410  75.976 -19.394  1.00 27.14     0.146 C 
-ATOM    227  CG2 THR A  21      68.506  75.006 -20.110  1.00 28.57     0.042 C 
-ATOM    228  OG1 THR A  21      70.728  75.451 -19.657  1.00 28.82    -0.393 OA
-ATOM    229  HG1 THR A  21      71.298  76.063 -19.206  1.00  0.00     0.210 HD
-ATOM    230  N   GLN A  22      68.110  77.588 -22.131  1.00 30.60    -0.346 N 
-ATOM    231  HN  GLN A  22      69.033  77.513 -22.558  1.00  0.00     0.163 HD
-ATOM    232  CA  GLN A  22      66.935  77.683 -22.988  1.00 32.69     0.177 C 
-ATOM    233  C   GLN A  22      66.939  76.443 -23.874  1.00 32.94     0.241 C 
-ATOM    234  O   GLN A  22      67.881  76.247 -24.641  1.00 33.10    -0.271 OA
-ATOM    235  CB  GLN A  22      67.012  78.943 -23.873  1.00 33.56     0.044 C 
-ATOM    236  CG  GLN A  22      66.432  80.269 -23.280  1.00 36.96     0.105 C 
-ATOM    237  CD  GLN A  22      66.396  81.445 -24.316  1.00 42.08     0.215 C 
-ATOM    238  NE2 GLN A  22      67.578  81.879 -24.771  1.00 43.81    -0.370 N 
-ATOM    239 1HE2 GLN A  22      68.463  81.475 -24.465  1.00  0.00     0.159 HD
-ATOM    240 2HE2 GLN A  22      67.555  82.644 -25.445  1.00  0.00     0.159 HD
-ATOM    241  OE1 GLN A  22      65.317  81.937 -24.689  1.00 43.91    -0.274 OA
-ATOM    242  N   ARG A  23      65.912  75.599 -23.743  1.00 33.90    -0.346 N 
-ATOM    243  HN  ARG A  23      65.252  75.767 -22.984  1.00  0.00     0.163 HD
-ATOM    244  CA  ARG A  23      65.667  74.432 -24.628  1.00 34.32     0.176 C 
-ATOM    245  C   ARG A  23      66.825  73.403 -24.689  1.00 34.20     0.241 C 
-ATOM    246  O   ARG A  23      67.215  72.929 -25.783  1.00 34.18    -0.271 OA
-ATOM    247  CB  ARG A  23      65.236  74.890 -26.035  1.00 34.59     0.036 C 
-ATOM    248  CG  ARG A  23      63.766  74.544 -26.400  1.00 36.42     0.023 C 
-ATOM    249  CD  ARG A  23      62.956  75.668 -27.090  1.00 38.18     0.138 C 
-ATOM    250  NE  ARG A  23      63.323  77.008 -26.617  1.00 38.74    -0.227 N 
-ATOM    251  HE  ARG A  23      64.028  77.066 -25.882  1.00  0.00     0.177 HD
-ATOM    252  CZ  ARG A  23      62.812  78.161 -27.067  1.00 38.37     0.665 C 
-ATOM    253  NH1 ARG A  23      61.862  78.163 -28.015  1.00 35.16    -0.235 N 
-ATOM    254 1HH1 ARG A  23      61.524  77.285 -28.408  1.00  0.00     0.174 HD
-ATOM    255 2HH1 ARG A  23      61.473  79.041 -28.358  1.00  0.00     0.174 HD
-ATOM    256  NH2 ARG A  23      63.257  79.317 -26.550  1.00 34.09    -0.235 N 
-ATOM    257 1HH2 ARG A  23      63.979  79.315 -25.830  1.00  0.00     0.174 HD
-ATOM    258 2HH2 ARG A  23      62.868  80.195 -26.893  1.00  0.00     0.174 HD
-ATOM    259  N   ASP A  24      67.358  73.078 -23.502  1.00 33.42    -0.346 N 
-ATOM    260  HN  ASP A  24      66.967  73.512 -22.666  1.00  0.00     0.163 HD
-ATOM    261  CA  ASP A  24      68.478  72.129 -23.332  1.00 33.00     0.186 C 
-ATOM    262  C   ASP A  24      69.772  72.471 -24.115  1.00 31.48     0.241 C 
-ATOM    263  O   ASP A  24      70.508  71.582 -24.572  1.00 31.34    -0.271 OA
-ATOM    264  CB  ASP A  24      68.015  70.678 -23.574  1.00 33.36     0.147 C 
-ATOM    265  CG  ASP A  24      66.943  70.231 -22.570  1.00 36.67     0.175 C 
-ATOM    266  OD1 ASP A  24      67.302  69.868 -21.414  1.00 39.27    -0.648 OA
-ATOM    267  OD2 ASP A  24      65.713  70.228 -22.844  1.00 37.89    -0.648 OA
-ATOM    268  N   ARG A  25      70.041  73.772 -24.248  1.00 29.54    -0.346 N 
-ATOM    269  HN  ARG A  25      69.378  74.451 -23.875  1.00  0.00     0.163 HD
-ATOM    270  CA  ARG A  25      71.245  74.256 -24.906  1.00 27.60     0.176 C 
-ATOM    271  C   ARG A  25      72.118  74.720 -23.782  1.00 24.97     0.243 C 
-ATOM    272  O   ARG A  25      71.601  75.151 -22.760  1.00 25.20    -0.271 OA
-ATOM    273  CB  ARG A  25      70.943  75.466 -25.794  1.00 28.24     0.036 C 
-ATOM    274  CG  ARG A  25      70.605  75.121 -27.239  1.00 32.03     0.023 C 
-ATOM    275  CD  ARG A  25      71.564  75.751 -28.271  1.00 37.17     0.138 C 
-ATOM    276  NE  ARG A  25      71.901  74.776 -29.311  1.00 41.65    -0.227 N 
-ATOM    277  HE  ARG A  25      72.206  73.852 -29.005  1.00  0.00     0.177 HD
-ATOM    278  CZ  ARG A  25      71.841  74.998 -30.634  1.00 42.76     0.665 C 
-ATOM    279  NH1 ARG A  25      71.476  76.187 -31.113  1.00 43.81    -0.235 N 
-ATOM    280 1HH1 ARG A  25      71.226  76.933 -30.463  1.00  0.00     0.174 HD
-ATOM    281 2HH1 ARG A  25      71.430  76.356 -32.118  1.00  0.00     0.174 HD
-ATOM    282  NH2 ARG A  25      72.166  74.027 -31.480  1.00 40.75    -0.235 N 
-ATOM    283 1HH2 ARG A  25      72.445  73.117 -31.113  1.00  0.00     0.174 HD
-ATOM    284 2HH2 ARG A  25      72.120  74.196 -32.485  1.00  0.00     0.174 HD
-ATOM    285  N   PRO A  26      73.432  74.655 -23.944  1.00 22.58    -0.337 N 
-ATOM    286  CA  PRO A  26      74.313  75.250 -22.941  1.00 21.13     0.179 C 
-ATOM    287  C   PRO A  26      74.194  76.782 -22.918  1.00 19.83     0.241 C 
-ATOM    288  O   PRO A  26      73.926  77.363 -23.947  1.00 19.05    -0.271 OA
-ATOM    289  CB  PRO A  26      75.716  74.804 -23.387  1.00 21.08     0.037 C 
-ATOM    290  CG  PRO A  26      75.590  74.411 -24.835  1.00 21.51     0.022 C 
-ATOM    291  CD  PRO A  26      74.170  73.970 -25.027  1.00 22.41     0.127 C 
-ATOM    292  N   VAL A  27      74.370  77.400 -21.755  1.00 18.32    -0.346 N 
-ATOM    293  HN  VAL A  27      74.372  76.848 -20.897  1.00  0.00     0.163 HD
-ATOM    294  CA  VAL A  27      74.558  78.827 -21.669  1.00 17.78     0.180 C 
-ATOM    295  C   VAL A  27      75.962  79.112 -22.205  1.00 17.16     0.241 C 
-ATOM    296  O   VAL A  27      76.940  78.619 -21.679  1.00 16.89    -0.271 OA
-ATOM    297  CB  VAL A  27      74.406  79.333 -20.202  1.00 17.97     0.009 C 
-ATOM    298  CG1 VAL A  27      74.731  80.816 -20.092  1.00 17.54     0.012 C 
-ATOM    299  CG2 VAL A  27      72.986  79.060 -19.706  1.00 18.02     0.012 C 
-ATOM    300  N   ALA A  28      76.043  79.869 -23.288  1.00 16.66    -0.346 N 
-ATOM    301  HN  ALA A  28      75.187  80.139 -23.772  1.00  0.00     0.163 HD
-ATOM    302  CA  ALA A  28      77.331  80.328 -23.807  1.00 16.21     0.172 C 
-ATOM    303  C   ALA A  28      77.866  81.465 -22.942  1.00 16.02     0.240 C 
-ATOM    304  O   ALA A  28      77.221  82.508 -22.836  1.00 16.00    -0.271 OA
-ATOM    305  CB  ALA A  28      77.211  80.742 -25.278  1.00 15.84     0.042 C 
-ATOM    306  N   VAL A  29      78.997  81.219 -22.279  1.00 15.86    -0.346 N 
-ATOM    307  HN  VAL A  29      79.403  80.286 -22.347  1.00  0.00     0.163 HD
-ATOM    308  CA  VAL A  29      79.686  82.215 -21.460  1.00 16.32     0.180 C 
-ATOM    309  C   VAL A  29      81.004  82.623 -22.141  1.00 17.29     0.241 C 
-ATOM    310  O   VAL A  29      81.811  81.758 -22.503  1.00 17.04    -0.271 OA
-ATOM    311  CB  VAL A  29      79.976  81.640 -20.033  1.00 16.18     0.009 C 
-ATOM    312  CG1 VAL A  29      80.710  82.643 -19.194  1.00 15.21     0.012 C 
-ATOM    313  CG2 VAL A  29      78.658  81.217 -19.325  1.00 15.41     0.012 C 
-ATOM    314  N   SER A  30      81.202  83.923 -22.373  1.00 18.05    -0.344 N 
-ATOM    315  HN  SER A  30      80.443  84.586 -22.215  1.00  0.00     0.163 HD
-ATOM    316  CA  SER A  30      82.504  84.407 -22.854  1.00 19.12     0.200 C 
-ATOM    317  C   SER A  30      83.317  84.932 -21.692  1.00 19.50     0.243 C 
-ATOM    318  O   SER A  30      82.774  85.639 -20.842  1.00 19.39    -0.271 OA
-ATOM    319  CB  SER A  30      82.338  85.518 -23.879  1.00 18.84     0.199 C 
-ATOM    320  OG  SER A  30      81.495  85.091 -24.930  1.00 21.59    -0.398 OA
-ATOM    321  HG  SER A  30      81.391  85.785 -25.570  1.00  0.00     0.209 HD
-ATOM    322  N   VAL A  31      84.608  84.587 -21.666  1.00 19.83    -0.346 N 
-ATOM    323  HN  VAL A  31      84.969  83.974 -22.397  1.00  0.00     0.163 HD
-ATOM    324  CA  VAL A  31      85.519  85.058 -20.626  1.00 20.96     0.180 C 
-ATOM    325  C   VAL A  31      86.746  85.570 -21.298  1.00 21.26     0.241 C 
-ATOM    326  O   VAL A  31      87.167  85.031 -22.316  1.00 21.19    -0.271 OA
-ATOM    327  CB  VAL A  31      86.025  83.962 -19.665  1.00 21.59     0.009 C 
-ATOM    328  CG1 VAL A  31      86.415  84.585 -18.337  1.00 21.19     0.012 C 
-ATOM    329  CG2 VAL A  31      84.997  82.892 -19.478  1.00 22.56     0.012 C 
-ATOM    330  N   SER A  32      87.328  86.603 -20.704  1.00 21.73    -0.344 N 
-ATOM    331  HN  SER A  32      86.914  86.969 -19.847  1.00  0.00     0.163 HD
-ATOM    332  CA  SER A  32      88.528  87.235 -21.220  1.00 22.82     0.200 C 
-ATOM    333  C   SER A  32      89.110  87.952 -20.013  1.00 22.86     0.243 C 
-ATOM    334  O   SER A  32      88.330  88.576 -19.262  1.00 22.61    -0.271 OA
-ATOM    335  CB  SER A  32      88.121  88.243 -22.283  1.00 22.77     0.199 C 
-ATOM    336  OG  SER A  32      89.167  89.140 -22.527  1.00 27.34    -0.398 OA
-ATOM    337  HG  SER A  32      88.913  89.770 -23.191  1.00  0.00     0.209 HD
-ATOM    338  N   LEU A  33      90.431  87.814 -19.811  1.00 22.20    -0.346 N 
-ATOM    339  HN  LEU A  33      90.973  87.261 -20.475  1.00  0.00     0.163 HD
-ATOM    340  CA  LEU A  33      91.121  88.423 -18.682  1.00 21.68     0.177 C 
-ATOM    341  C   LEU A  33      91.878  89.612 -19.241  1.00 21.89     0.241 C 
-ATOM    342  O   LEU A  33      92.591  89.483 -20.237  1.00 21.77    -0.271 OA
-ATOM    343  CB  LEU A  33      92.065  87.430 -17.997  1.00 21.26     0.038 C 
-ATOM    344  CG  LEU A  33      91.545  86.072 -17.490  1.00 21.17    -0.020 C 
-ATOM    345  CD1 LEU A  33      92.575  85.358 -16.638  1.00 19.37     0.009 C 
-ATOM    346  CD2 LEU A  33      90.254  86.184 -16.714  1.00 20.93     0.009 C 
-ATOM    347  N   LYS A  34      91.682  90.787 -18.647  1.00 21.47    -0.346 N 
-ATOM    348  HN  LYS A  34      90.958  90.875 -17.934  1.00  0.00     0.163 HD
-ATOM    349  CA  LYS A  34      92.484  91.947 -18.998  1.00 20.65     0.176 C 
-ATOM    350  C   LYS A  34      93.423  92.167 -17.836  1.00 19.81     0.241 C 
-ATOM    351  O   LYS A  34      92.998  92.581 -16.768  1.00 19.39    -0.271 OA
-ATOM    352  CB  LYS A  34      91.622  93.192 -19.173  1.00 21.31     0.035 C 
-ATOM    353  CG  LYS A  34      90.328  92.965 -19.946  1.00 23.66     0.004 C 
-ATOM    354  CD  LYS A  34      90.618  92.808 -21.442  1.00 27.37     0.027 C 
-ATOM    355  CE  LYS A  34      89.375  92.268 -22.152  1.00 30.37     0.229 C 
-ATOM    356  NZ  LYS A  34      89.609  92.014 -23.625  1.00 33.50    -0.079 N 
-ATOM    357  HZ1 LYS A  34      88.780  91.654 -24.098  1.00  0.00     0.274 HD
-ATOM    358  HZ2 LYS A  34      90.409  91.397 -23.768  1.00  0.00     0.274 HD
-ATOM    359  HZ3 LYS A  34      89.961  92.851 -24.089  1.00  0.00     0.274 HD
-ATOM    360  N   PHE A  35      94.702  91.885 -18.054  1.00 18.59    -0.346 N 
-ATOM    361  HN  PHE A  35      94.993  91.559 -18.976  1.00  0.00     0.163 HD
-ATOM    362  CA  PHE A  35      95.686  92.031 -17.011  1.00 17.38     0.180 C 
-ATOM    363  C   PHE A  35      95.973  93.489 -16.684  1.00 16.85     0.241 C 
-ATOM    364  O   PHE A  35      96.197  94.310 -17.565  1.00 16.09    -0.271 OA
-ATOM    365  CB  PHE A  35      96.921  91.242 -17.395  1.00 17.33     0.073 C 
-ATOM    366  CG  PHE A  35      96.682  89.754 -17.402  1.00 17.59    -0.056 A 
-ATOM    367  CD1 PHE A  35      96.649  89.041 -16.221  1.00 18.00     0.007 A 
-ATOM    368  CD2 PHE A  35      96.443  89.078 -18.608  1.00 18.46     0.007 A 
-ATOM    369  CE1 PHE A  35      96.413  87.636 -16.218  1.00 19.08     0.001 A 
-ATOM    370  CE2 PHE A  35      96.195  87.682 -18.620  1.00 18.13     0.001 A 
-ATOM    371  CZ  PHE A  35      96.187  86.965 -17.416  1.00 18.16     0.000 A 
-ATOM    372  N   ILE A  36      95.930  93.794 -15.394  1.00 16.29    -0.346 N 
-ATOM    373  HN  ILE A  36      95.712  93.058 -14.723  1.00  0.00     0.163 HD
-ATOM    374  CA  ILE A  36      96.185  95.153 -14.894  1.00 16.31     0.180 C 
-ATOM    375  C   ILE A  36      97.565  95.272 -14.225  1.00 16.50     0.241 C 
-ATOM    376  O   ILE A  36      98.230  96.308 -14.323  1.00 15.66    -0.271 OA
-ATOM    377  CB  ILE A  36      95.054  95.567 -13.917  1.00 15.97     0.013 C 
-ATOM    378  CG1 ILE A  36      93.678  95.230 -14.520  1.00 15.50     0.002 C 
-ATOM    379  CG2 ILE A  36      95.127  97.069 -13.556  1.00 15.16     0.012 C 
-ATOM    380  CD1 ILE A  36      93.362  95.989 -15.836  1.00 13.98     0.005 C 
-ATOM    381  N   ASN A  37      97.968  94.214 -13.526  1.00 16.75    -0.346 N 
-ATOM    382  HN  ASN A  37      97.397  93.369 -13.519  1.00  0.00     0.163 HD
-ATOM    383  CA  ASN A  37      99.214  94.246 -12.770  1.00 18.14     0.185 C 
-ATOM    384  C   ASN A  37      99.719  92.848 -12.438  1.00 18.55     0.241 C 
-ATOM    385  O   ASN A  37      98.945  91.912 -12.359  1.00 18.68    -0.271 OA
-ATOM    386  CB  ASN A  37      99.088  95.095 -11.480  1.00 17.73     0.137 C 
-ATOM    387  CG  ASN A  37     100.262  96.001 -11.277  1.00 19.82     0.217 C 
-ATOM    388  ND2 ASN A  37      99.983  97.226 -10.878  1.00 16.80    -0.370 N 
-ATOM    389 1HD2 ASN A  37     100.783  97.843 -10.740  1.00  0.00     0.159 HD
-ATOM    390 2HD2 ASN A  37      99.030  97.544 -10.700  1.00  0.00     0.159 HD
-ATOM    391  OD1 ASN A  37     101.416  95.616 -11.493  1.00 19.37    -0.274 OA
-ATOM    392  N   ILE A  38     101.030  92.728 -12.316  1.00 18.88    -0.346 N 
-ATOM    393  HN  ILE A  38     101.623  93.509 -12.595  1.00  0.00     0.163 HD
-ATOM    394  CA  ILE A  38     101.654  91.526 -11.800  1.00 19.64     0.180 C 
-ATOM    395  C   ILE A  38     102.428  92.006 -10.599  1.00 20.16     0.241 C 
-ATOM    396  O   ILE A  38     103.343  92.836 -10.741  1.00 20.39    -0.271 OA
-ATOM    397  CB  ILE A  38     102.557  90.876 -12.881  1.00 19.59     0.013 C 
-ATOM    398  CG1 ILE A  38     101.706  90.449 -14.072  1.00 19.24     0.002 C 
-ATOM    399  CG2 ILE A  38     103.319  89.689 -12.289  1.00 19.12     0.012 C 
-ATOM    400  CD1 ILE A  38     102.455  90.255 -15.332  1.00 19.82     0.005 C 
-ATOM    401  N   LEU A  39     102.028  91.540  -9.422  1.00 21.04    -0.346 N 
-ATOM    402  HN  LEU A  39     101.398  90.738  -9.393  1.00  0.00     0.163 HD
-ATOM    403  CA  LEU A  39     102.471  92.152  -8.156  1.00 22.09     0.177 C 
-ATOM    404  C   LEU A  39     103.660  91.430  -7.565  1.00 22.48     0.241 C 
-ATOM    405  O   LEU A  39     104.528  92.027  -6.934  1.00 23.22    -0.271 OA
-ATOM    406  CB  LEU A  39     101.318  92.187  -7.151  1.00 21.60     0.038 C 
-ATOM    407  CG  LEU A  39     100.142  92.992  -7.699  1.00 23.03    -0.020 C 
-ATOM    408  CD1 LEU A  39      98.940  92.873  -6.829  1.00 23.75     0.009 C 
-ATOM    409  CD2 LEU A  39     100.524  94.486  -7.880  1.00 23.06     0.009 C 
-ATOM    410  N   GLU A  40     103.686  90.126  -7.755  1.00 22.72    -0.346 N 
-ATOM    411  HN  GLU A  40     102.978  89.682  -8.339  1.00  0.00     0.163 HD
-ATOM    412  CA  GLU A  40     104.726  89.319  -7.131  1.00 23.32     0.177 C 
-ATOM    413  C   GLU A  40     104.900  88.087  -7.970  1.00 22.25     0.241 C 
-ATOM    414  O   GLU A  40     103.926  87.528  -8.468  1.00 22.42    -0.271 OA
-ATOM    415  CB  GLU A  40     104.357  88.915  -5.685  1.00 23.45     0.045 C 
-ATOM    416  CG  GLU A  40     105.464  88.154  -4.973  1.00 26.95     0.116 C 
-ATOM    417  CD  GLU A  40     105.118  87.811  -3.524  1.00 32.11     0.172 C 
-ATOM    418  OE1 GLU A  40     103.916  87.539  -3.229  1.00 33.05    -0.648 OA
-ATOM    419  OE2 GLU A  40     106.056  87.832  -2.673  1.00 33.61    -0.648 OA
-ATOM    420  N   VAL A  41     106.151  87.683  -8.099  1.00 21.05    -0.346 N 
-ATOM    421  HN  VAL A  41     106.891  88.203  -7.628  1.00  0.00     0.163 HD
-ATOM    422  CA  VAL A  41     106.496  86.535  -8.881  1.00 20.74     0.180 C 
-ATOM    423  C   VAL A  41     107.574  85.812  -8.071  1.00 20.48     0.241 C 
-ATOM    424  O   VAL A  41     108.449  86.434  -7.477  1.00 19.56    -0.271 OA
-ATOM    425  CB  VAL A  41     106.960  87.000 -10.306  1.00 21.01     0.009 C 
-ATOM    426  CG1 VAL A  41     107.980  86.108 -10.895  1.00 21.04     0.012 C 
-ATOM    427  CG2 VAL A  41     105.777  87.136 -11.243  1.00 20.44     0.012 C 
-ATOM    428  N   ASN A  42     107.488  84.491  -8.037  1.00 20.25    -0.346 N 
-ATOM    429  HN  ASN A  42     106.714  84.025  -8.511  1.00  0.00     0.163 HD
-ATOM    430  CA  ASN A  42     108.470  83.704  -7.341  1.00 20.48     0.185 C 
-ATOM    431  C   ASN A  42     108.892  82.541  -8.226  1.00 20.77     0.241 C 
-ATOM    432  O   ASN A  42     108.133  81.602  -8.430  1.00 20.23    -0.271 OA
-ATOM    433  CB  ASN A  42     107.921  83.217  -5.992  1.00 20.47     0.137 C 
-ATOM    434  CG  ASN A  42     109.014  82.615  -5.100  1.00 20.88     0.217 C 
-ATOM    435  ND2 ASN A  42     108.931  82.872  -3.792  1.00 19.32    -0.370 N 
-ATOM    436 1HD2 ASN A  42     109.658  82.472  -3.199  1.00  0.00     0.159 HD
-ATOM    437 2HD2 ASN A  42     108.193  83.451  -3.391  1.00  0.00     0.159 HD
-ATOM    438  OD1 ASN A  42     109.907  81.914  -5.586  1.00 21.22    -0.274 OA
-ATOM    439  N   GLU A  43     110.118  82.620  -8.731  1.00 21.22    -0.346 N 
-ATOM    440  HN  GLU A  43     110.714  83.404  -8.465  1.00  0.00     0.163 HD
-ATOM    441  CA  GLU A  43     110.632  81.625  -9.649  1.00 22.03     0.177 C 
-ATOM    442  C   GLU A  43     110.989  80.292  -8.967  1.00 22.09     0.241 C 
-ATOM    443  O   GLU A  43     111.029  79.252  -9.635  1.00 21.65    -0.271 OA
-ATOM    444  CB  GLU A  43     111.825  82.179 -10.454  1.00 22.34     0.045 C 
-ATOM    445  CG  GLU A  43     111.859  81.676 -11.903  1.00 24.30     0.116 C 
-ATOM    446  CD  GLU A  43     113.039  82.200 -12.732  1.00 27.24     0.172 C 
-ATOM    447  OE1 GLU A  43     113.478  83.360 -12.507  1.00 28.56    -0.648 OA
-ATOM    448  OE2 GLU A  43     113.517  81.455 -13.632  1.00 27.52    -0.648 OA
-ATOM    449  N   ILE A  44     111.254  80.336  -7.655  1.00 21.93    -0.346 N 
-ATOM    450  HN  ILE A  44     111.271  81.240  -7.184  1.00  0.00     0.163 HD
-ATOM    451  CA  ILE A  44     111.519  79.126  -6.878  1.00 22.04     0.180 C 
-ATOM    452  C   ILE A  44     110.224  78.332  -6.677  1.00 21.73     0.241 C 
-ATOM    453  O   ILE A  44     110.193  77.138  -6.984  1.00 21.77    -0.271 OA
-ATOM    454  CB  ILE A  44     112.196  79.462  -5.483  1.00 22.41     0.013 C 
-ATOM    455  CG1 ILE A  44     113.474  80.322  -5.640  1.00 22.96     0.002 C 
-ATOM    456  CG2 ILE A  44     112.463  78.189  -4.666  1.00 22.48     0.012 C 
-ATOM    457  CD1 ILE A  44     114.580  79.724  -6.529  1.00 24.25     0.005 C 
-ATOM    458  N   THR A  45     109.161  78.992  -6.191  1.00 20.78    -0.344 N 
-ATOM    459  HN  THR A  45     109.226  79.997  -6.029  1.00  0.00     0.163 HD
-ATOM    460  CA  THR A  45     107.918  78.299  -5.891  1.00 20.27     0.205 C 
-ATOM    461  C   THR A  45     106.969  78.169  -7.063  1.00 19.84     0.243 C 
-ATOM    462  O   THR A  45     105.952  77.498  -6.953  1.00 19.88    -0.271 OA
-ATOM    463  CB  THR A  45     107.170  78.968  -4.724  1.00 20.54     0.146 C 
-ATOM    464  CG2 THR A  45     108.074  79.075  -3.481  1.00 20.43     0.042 C 
-ATOM    465  OG1 THR A  45     106.859  80.319  -5.081  1.00 20.35    -0.393 OA
-ATOM    466  HG1 THR A  45     106.397  80.732  -4.361  1.00  0.00     0.210 HD
-ATOM    467  N   ASN A  46     107.287  78.812  -8.178  1.00 19.34    -0.345 N 
-ATOM    468  HN  ASN A  46     108.203  79.255  -8.248  1.00  0.00     0.163 HD
-ATOM    469  CA  ASN A  46     106.366  78.908  -9.314  1.00 18.79     0.185 C 
-ATOM    470  C   ASN A  46     104.997  79.478  -8.962  1.00 18.60     0.241 C 
-ATOM    471  O   ASN A  46     103.958  78.874  -9.241  1.00 18.58    -0.271 OA
-ATOM    472  CB  ASN A  46     106.240  77.560 -10.053  1.00 18.44     0.137 C 
-ATOM    473  CG  ASN A  46     107.316  77.376 -11.128  1.00 18.48     0.217 C 
-ATOM    474  ND2 ASN A  46     107.791  76.143 -11.301  1.00 15.61    -0.370 N 
-ATOM    475 1HD2 ASN A  46     107.466  75.351 -10.747  1.00  0.00     0.159 HD
-ATOM    476 2HD2 ASN A  46     108.507  76.020 -12.017  1.00  0.00     0.159 HD
-ATOM    477  OD1 ASN A  46     107.709  78.333 -11.798  1.00 17.49    -0.274 OA
-ATOM    478  N   GLU A  47     104.993  80.648  -8.343  1.00 19.10    -0.346 N 
-ATOM    479  HN  GLU A  47     105.877  81.126  -8.168  1.00  0.00     0.163 HD
-ATOM    480  CA  GLU A  47     103.747  81.262  -7.909  1.00 19.48     0.177 C 
-ATOM    481  C   GLU A  47     103.774  82.688  -8.425  1.00 19.69     0.241 C 
-ATOM    482  O   GLU A  47     104.860  83.263  -8.510  1.00 19.37    -0.271 OA
-ATOM    483  CB  GLU A  47     103.624  81.203  -6.361  1.00 19.77     0.045 C 
-ATOM    484  CG  GLU A  47     103.391  79.784  -5.817  1.00 21.41     0.116 C 
-ATOM    485  CD  GLU A  47     103.430  79.654  -4.288  1.00 25.87     0.172 C 
-ATOM    486  OE1 GLU A  47     103.174  80.644  -3.562  1.00 28.10    -0.648 OA
-ATOM    487  OE2 GLU A  47     103.706  78.534  -3.774  1.00 27.99    -0.648 OA
-ATOM    488  N   VAL A  48     102.592  83.230  -8.777  1.00 19.48    -0.346 N 
-ATOM    489  HN  VAL A  48     101.761  82.640  -8.736  1.00  0.00     0.163 HD
-ATOM    490  CA  VAL A  48     102.432  84.611  -9.213  1.00 20.07     0.180 C 
-ATOM    491  C   VAL A  48     101.184  85.220  -8.572  1.00 20.30     0.241 C 
-ATOM    492  O   VAL A  48     100.182  84.533  -8.364  1.00 19.76    -0.271 OA
-ATOM    493  CB  VAL A  48     102.317  84.751 -10.772  1.00 19.98     0.009 C 
-ATOM    494  CG1 VAL A  48     103.505  84.164 -11.462  1.00 20.47     0.012 C 
-ATOM    495  CG2 VAL A  48     101.055  84.083 -11.311  1.00 20.80     0.012 C 
-ATOM    496  N   ASP A  49     101.265  86.510  -8.279  1.00 20.48    -0.345 N 
-ATOM    497  HN  ASP A  49     102.146  86.987  -8.472  1.00  0.00     0.163 HD
-ATOM    498  CA  ASP A  49     100.177  87.298  -7.697  1.00 21.42     0.186 C 
-ATOM    499  C   ASP A  49      99.769  88.325  -8.765  1.00 20.92     0.241 C 
-ATOM    500  O   ASP A  49     100.588  89.176  -9.166  1.00 20.39    -0.271 OA
-ATOM    501  CB  ASP A  49     100.736  88.008  -6.464  1.00 22.22     0.147 C 
-ATOM    502  CG  ASP A  49      99.688  88.489  -5.498  1.00 24.83     0.175 C 
-ATOM    503  OD1 ASP A  49      98.498  88.595  -5.830  1.00 28.36    -0.648 OA
-ATOM    504  OD2 ASP A  49     100.018  88.797  -4.327  1.00 28.97    -0.648 OA
-ATOM    505  N   VAL A  50      98.530  88.242  -9.251  1.00 20.47    -0.346 N 
-ATOM    506  HN  VAL A  50      97.865  87.605  -8.814  1.00  0.00     0.163 HD
-ATOM    507  CA  VAL A  50      98.101  89.050 -10.405  1.00 20.28     0.180 C 
-ATOM    508  C   VAL A  50      96.788  89.829 -10.172  1.00 19.70     0.241 C 
-ATOM    509  O   VAL A  50      95.952  89.422  -9.362  1.00 19.15    -0.271 OA
-ATOM    510  CB  VAL A  50      97.950  88.136 -11.664  1.00 20.88     0.009 C 
-ATOM    511  CG1 VAL A  50      97.523  88.927 -12.900  1.00 22.58     0.012 C 
-ATOM    512  CG2 VAL A  50      99.255  87.495 -11.996  1.00 22.12     0.012 C 
-ATOM    513  N   VAL A  51      96.605  90.936 -10.893  1.00 18.23    -0.346 N 
-ATOM    514  HN  VAL A  51      97.361  91.272 -11.489  1.00  0.00     0.163 HD
-ATOM    515  CA  VAL A  51      95.353  91.675 -10.850  1.00 17.46     0.180 C 
-ATOM    516  C   VAL A  51      94.829  91.700 -12.300  1.00 17.12     0.241 C 
-ATOM    517  O   VAL A  51      95.553  92.104 -13.206  1.00 16.74    -0.271 OA
-ATOM    518  CB  VAL A  51      95.507  93.136 -10.293  1.00 17.62     0.009 C 
-ATOM    519  CG1 VAL A  51      94.166  93.892 -10.350  1.00 17.03     0.012 C 
-ATOM    520  CG2 VAL A  51      96.035  93.153  -8.901  1.00 17.04     0.012 C 
-ATOM    521  N   PHE A  52      93.593  91.256 -12.521  1.00 15.63    -0.346 N 
-ATOM    522  HN  PHE A  52      93.032  90.932 -11.734  1.00  0.00     0.163 HD
-ATOM    523  CA  PHE A  52      93.027  91.223 -13.857  1.00 15.54     0.180 C 
-ATOM    524  C   PHE A  52      91.545  91.569 -13.796  1.00 16.24     0.241 C 
-ATOM    525  O   PHE A  52      90.872  91.273 -12.812  1.00 14.66    -0.271 OA
-ATOM    526  CB  PHE A  52      93.236  89.844 -14.509  1.00 16.40     0.073 C 
-ATOM    527  CG  PHE A  52      92.794  88.681 -13.642  1.00 16.91    -0.056 A 
-ATOM    528  CD1 PHE A  52      93.654  88.122 -12.709  1.00 20.04     0.007 A 
-ATOM    529  CD2 PHE A  52      91.500  88.167 -13.748  1.00 17.55     0.007 A 
-ATOM    530  CE1 PHE A  52      93.218  87.019 -11.870  1.00 19.72     0.001 A 
-ATOM    531  CE2 PHE A  52      91.056  87.065 -12.933  1.00 17.77     0.001 A 
-ATOM    532  CZ  PHE A  52      91.903  86.508 -12.019  1.00 19.55     0.000 A 
-ATOM    533  N   TRP A  53      91.042  92.234 -14.841  1.00 16.58    -0.346 N 
-ATOM    534  HN  TRP A  53      91.675  92.657 -15.520  1.00  0.00     0.163 HD
-ATOM    535  CA  TRP A  53      89.601  92.363 -15.022  1.00 17.42     0.181 C 
-ATOM    536  C   TRP A  53      89.062  91.067 -15.678  1.00 18.16     0.241 C 
-ATOM    537  O   TRP A  53      89.453  90.692 -16.786  1.00 18.46    -0.271 OA
-ATOM    538  CB  TRP A  53      89.249  93.590 -15.854  1.00 16.50     0.075 C 
-ATOM    539  CG  TRP A  53      89.705  94.886 -15.258  1.00 16.57    -0.028 A 
-ATOM    540  CD1 TRP A  53      90.144  95.102 -13.992  1.00 16.41     0.096 A 
-ATOM    541  CD2 TRP A  53      89.786  96.146 -15.931  1.00 16.38    -0.002 A 
-ATOM    542  CE2 TRP A  53      90.274  97.087 -15.012  1.00 16.96     0.042 A 
-ATOM    543  CE3 TRP A  53      89.506  96.571 -17.236  1.00 18.51     0.014 A 
-ATOM    544  NE1 TRP A  53      90.487  96.429 -13.831  1.00 17.35    -0.365 N 
-ATOM    545  HE1 TRP A  53      90.841  96.850 -12.972  1.00  0.00     0.165 HD
-ATOM    546  CZ2 TRP A  53      90.497  98.423 -15.346  1.00 18.87     0.030 A 
-ATOM    547  CZ3 TRP A  53      89.709  97.916 -17.559  1.00 19.54     0.001 A 
-ATOM    548  CH2 TRP A  53      90.210  98.816 -16.615  1.00 19.20     0.002 A 
-ATOM    549  N   GLN A  54      88.149  90.384 -15.020  1.00 18.80    -0.346 N 
-ATOM    550  HN  GLN A  54      87.806  90.714 -14.118  1.00  0.00     0.163 HD
-ATOM    551  CA  GLN A  54      87.636  89.148 -15.601  1.00 19.77     0.177 C 
-ATOM    552  C   GLN A  54      86.348  89.422 -16.353  1.00 19.53     0.241 C 
-ATOM    553  O   GLN A  54      85.257  89.356 -15.778  1.00 19.37    -0.271 OA
-ATOM    554  CB  GLN A  54      87.403  88.125 -14.491  1.00 20.06     0.044 C 
-ATOM    555  CG  GLN A  54      86.939  86.736 -14.982  1.00 23.19     0.105 C 
-ATOM    556  CD  GLN A  54      86.999  85.708 -13.841  1.00 27.86     0.215 C 
-ATOM    557  NE2 GLN A  54      85.844  85.208 -13.411  1.00 29.16    -0.370 N 
-ATOM    558 1HE2 GLN A  54      84.948  85.453 -13.831  1.00  0.00     0.159 HD
-ATOM    559 2HE2 GLN A  54      85.884  84.526 -12.654  1.00  0.00     0.159 HD
-ATOM    560  OE1 GLN A  54      88.089  85.410 -13.330  1.00 29.51    -0.274 OA
-ATOM    561  N   GLN A  55      86.476  89.771 -17.623  1.00 19.30    -0.346 N 
-ATOM    562  HN  GLN A  55      87.396  89.730 -18.062  1.00  0.00     0.163 HD
-ATOM    563  CA  GLN A  55      85.346  90.206 -18.395  1.00 19.77     0.177 C 
-ATOM    564  C   GLN A  55      84.469  88.995 -18.704  1.00 20.11     0.241 C 
-ATOM    565  O   GLN A  55      84.902  88.050 -19.383  1.00 19.88    -0.271 OA
-ATOM    566  CB  GLN A  55      85.797  90.889 -19.675  1.00 19.80     0.044 C 
-ATOM    567  CG  GLN A  55      84.641  91.253 -20.607  1.00 22.14     0.105 C 
-ATOM    568  CD  GLN A  55      85.121  91.911 -21.924  1.00 26.60     0.215 C 
-ATOM    569  NE2 GLN A  55      84.231  91.981 -22.901  1.00 26.63    -0.370 N 
-ATOM    570 1HE2 GLN A  55      83.279  91.625 -22.811  1.00  0.00     0.159 HD
-ATOM    571 2HE2 GLN A  55      84.547  92.414 -23.769  1.00  0.00     0.159 HD
-ATOM    572  OE1 GLN A  55      86.283  92.346 -22.034  1.00 28.52    -0.274 OA
-ATOM    573  N   THR A  56      83.218  89.046 -18.259  1.00 19.60    -0.344 N 
-ATOM    574  HN  THR A  56      82.858  89.912 -17.859  1.00  0.00     0.163 HD
-ATOM    575  CA  THR A  56      82.359  87.878 -18.338  1.00 20.17     0.205 C 
-ATOM    576  C   THR A  56      81.012  88.227 -18.910  1.00 19.85     0.243 C 
-ATOM    577  O   THR A  56      80.333  89.132 -18.451  1.00 19.89    -0.271 OA
-ATOM    578  CB  THR A  56      82.175  87.230 -16.954  1.00 20.47     0.146 C 
-ATOM    579  CG2 THR A  56      81.879  85.763 -17.102  1.00 20.06     0.042 C 
-ATOM    580  OG1 THR A  56      83.435  87.251 -16.287  1.00 22.55    -0.393 OA
-ATOM    581  HG1 THR A  56      83.321  86.851 -15.433  1.00  0.00     0.210 HD
-ATOM    582  N   THR A  57      80.615  87.458 -19.900  1.00 19.07    -0.344 N 
-ATOM    583  HN  THR A  57      81.108  86.585 -20.087  1.00  0.00     0.163 HD
-ATOM    584  CA  THR A  57      79.508  87.827 -20.713  1.00 19.64     0.205 C 
-ATOM    585  C   THR A  57      78.634  86.615 -20.964  1.00 18.86     0.243 C 
-ATOM    586  O   THR A  57      79.138  85.534 -21.238  1.00 18.28    -0.271 OA
-ATOM    587  CB  THR A  57      80.079  88.444 -22.007  1.00 20.48     0.146 C 
-ATOM    588  CG2 THR A  57      79.365  87.973 -23.249  1.00 21.55     0.042 C 
-ATOM    589  OG1 THR A  57      79.906  89.881 -21.968  1.00 22.90    -0.393 OA
-ATOM    590  HG1 THR A  57      80.258  90.261 -22.765  1.00  0.00     0.210 HD
-ATOM    591  N   TRP A  58      77.323  86.809 -20.841  1.00 17.76    -0.346 N 
-ATOM    592  HN  TRP A  58      76.988  87.717 -20.518  1.00  0.00     0.163 HD
-ATOM    593  CA  TRP A  58      76.348  85.767 -21.152  1.00 17.66     0.181 C 
-ATOM    594  C   TRP A  58      74.962  86.366 -21.337  1.00 17.78     0.241 C 
-ATOM    595  O   TRP A  58      74.698  87.519 -21.009  1.00 17.81    -0.271 OA
-ATOM    596  CB  TRP A  58      76.294  84.681 -20.062  1.00 16.85     0.075 C 
-ATOM    597  CG  TRP A  58      75.714  85.160 -18.781  1.00 16.55    -0.028 A 
-ATOM    598  CD1 TRP A  58      74.423  85.017 -18.363  1.00 16.60     0.096 A 
-ATOM    599  CD2 TRP A  58      76.394  85.868 -17.741  1.00 15.48    -0.002 A 
-ATOM    600  CE2 TRP A  58      75.449  86.103 -16.704  1.00 14.32     0.042 A 
-ATOM    601  CE3 TRP A  58      77.709  86.312 -17.559  1.00 14.09     0.014 A 
-ATOM    602  NE1 TRP A  58      74.256  85.570 -17.113  1.00 15.66    -0.365 N 
-ATOM    603  HE1 TRP A  58      73.387  85.581 -16.580  1.00  0.00     0.165 HD
-ATOM    604  CZ2 TRP A  58      75.771  86.765 -15.545  1.00 14.23     0.030 A 
-ATOM    605  CZ3 TRP A  58      78.021  86.968 -16.380  1.00 14.47     0.001 A 
-ATOM    606  CH2 TRP A  58      77.065  87.198 -15.403  1.00 15.25     0.002 A 
-ATOM    607  N   SER A  59      74.064  85.535 -21.823  1.00 18.02    -0.344 N 
-ATOM    608  HN  SER A  59      74.344  84.583 -22.061  1.00  0.00     0.163 HD
-ATOM    609  CA  SER A  59      72.692  85.939 -22.027  1.00 19.37     0.200 C 
-ATOM    610  C   SER A  59      71.712  85.279 -21.057  1.00 19.14     0.243 C 
-ATOM    611  O   SER A  59      71.792  84.074 -20.807  1.00 18.77    -0.271 OA
-ATOM    612  CB  SER A  59      72.322  85.659 -23.491  1.00 19.29     0.199 C 
-ATOM    613  OG  SER A  59      70.972  85.267 -23.571  1.00 22.74    -0.398 OA
-ATOM    614  HG  SER A  59      70.743  85.094 -24.477  1.00  0.00     0.209 HD
-ATOM    615  N   ASP A  60      70.796  86.078 -20.502  1.00 19.54    -0.345 N 
-ATOM    616  HN  ASP A  60      70.833  87.080 -20.690  1.00  0.00     0.163 HD
-ATOM    617  CA  ASP A  60      69.733  85.553 -19.626  1.00 19.86     0.186 C 
-ATOM    618  C   ASP A  60      68.405  86.221 -20.009  1.00 19.86     0.241 C 
-ATOM    619  O   ASP A  60      68.110  87.374 -19.612  1.00 19.35    -0.271 OA
-ATOM    620  CB  ASP A  60      70.072  85.761 -18.150  1.00 20.19     0.147 C 
-ATOM    621  CG  ASP A  60      69.050  85.132 -17.206  1.00 22.29     0.175 C 
-ATOM    622  OD1 ASP A  60      67.936  84.795 -17.669  1.00 21.94    -0.648 OA
-ATOM    623  OD2 ASP A  60      69.273  84.973 -15.975  1.00 24.24    -0.648 OA
-ATOM    624  N   ARG A  61      67.644  85.510 -20.830  1.00 19.89    -0.346 N 
-ATOM    625  HN  ARG A  61      67.955  84.572 -21.082  1.00  0.00     0.163 HD
-ATOM    626  CA  ARG A  61      66.386  85.992 -21.395  1.00 21.39     0.176 C 
-ATOM    627  C   ARG A  61      65.282  86.271 -20.377  1.00 20.70     0.241 C 
-ATOM    628  O   ARG A  61      64.337  87.015 -20.682  1.00 19.75    -0.271 OA
-ATOM    629  CB  ARG A  61      65.854  84.993 -22.429  1.00 21.50     0.036 C 
-ATOM    630  CG  ARG A  61      66.113  85.380 -23.882  1.00 26.38     0.023 C 
-ATOM    631  CD  ARG A  61      66.417  86.872 -24.103  1.00 31.20     0.138 C 
-ATOM    632  NE  ARG A  61      65.578  87.495 -25.136  1.00 33.25    -0.227 N 
-ATOM    633  HE  ARG A  61      64.590  87.639 -24.927  1.00  0.00     0.177 HD
-ATOM    634  CZ  ARG A  61      66.029  87.885 -26.332  1.00 36.56     0.665 C 
-ATOM    635  NH1 ARG A  61      67.309  87.702 -26.664  1.00 36.39    -0.235 N 
-ATOM    636 1HH1 ARG A  61      67.653  88.000 -27.577  1.00  0.00     0.174 HD
-ATOM    637 2HH1 ARG A  61      67.946  87.275 -25.992  1.00  0.00     0.174 HD
-ATOM    638  NH2 ARG A  61      65.197  88.443 -27.210  1.00 36.51    -0.235 N 
-ATOM    639 1HH2 ARG A  61      65.541  88.741 -28.123  1.00  0.00     0.174 HD
-ATOM    640 2HH2 ARG A  61      64.219  88.583 -26.956  1.00  0.00     0.174 HD
-ATOM    641  N   THR A  62      65.381  85.665 -19.191  1.00 20.71    -0.344 N 
-ATOM    642  HN  THR A  62      66.137  85.001 -19.024  1.00  0.00     0.163 HD
-ATOM    643  CA  THR A  62      64.414  85.946 -18.130  1.00 21.31     0.205 C 
-ATOM    644  C   THR A  62      64.576  87.384 -17.598  1.00 20.82     0.243 C 
-ATOM    645  O   THR A  62      63.695  87.883 -16.913  1.00 20.95    -0.271 OA
-ATOM    646  CB  THR A  62      64.505  84.946 -16.958  1.00 21.35     0.146 C 
-ATOM    647  CG2 THR A  62      64.467  83.496 -17.447  1.00 22.39     0.042 C 
-ATOM    648  OG1 THR A  62      65.786  85.091 -16.315  1.00 23.09    -0.393 OA
-ATOM    649  HG1 THR A  62      65.842  84.475 -15.594  1.00  0.00     0.210 HD
-ATOM    650  N   LEU A  63      65.694  88.043 -17.908  1.00 20.19    -0.346 N 
-ATOM    651  HN  LEU A  63      66.395  87.598 -18.501  1.00  0.00     0.163 HD
-ATOM    652  CA  LEU A  63      65.925  89.400 -17.405  1.00 19.84     0.177 C 
-ATOM    653  C   LEU A  63      65.394  90.445 -18.374  1.00 19.76     0.241 C 
-ATOM    654  O   LEU A  63      65.324  91.629 -18.032  1.00 20.02    -0.271 OA
-ATOM    655  CB  LEU A  63      67.417  89.653 -17.178  1.00 19.38     0.038 C 
-ATOM    656  CG  LEU A  63      68.217  88.722 -16.265  1.00 20.81    -0.020 C 
-ATOM    657  CD1 LEU A  63      69.683  89.116 -16.305  1.00 18.99     0.009 C 
-ATOM    658  CD2 LEU A  63      67.668  88.731 -14.815  1.00 19.80     0.009 C 
-ATOM    659  N   ALA A  64      65.071  90.020 -19.597  1.00 19.02    -0.346 N 
-ATOM    660  HN  ALA A  64      65.086  89.020 -19.796  1.00  0.00     0.163 HD
-ATOM    661  CA  ALA A  64      64.696  90.951 -20.659  1.00 19.03     0.172 C 
-ATOM    662  C   ALA A  64      63.467  91.793 -20.332  1.00 19.00     0.240 C 
-ATOM    663  O   ALA A  64      62.569  91.360 -19.600  1.00 19.05    -0.271 OA
-ATOM    664  CB  ALA A  64      64.471  90.209 -21.981  1.00 18.96     0.042 C 
-ATOM    665  N   TRP A  65      63.430  92.992 -20.899  1.00 18.62    -0.346 N 
-ATOM    666  HN  TRP A  65      64.242  93.315 -21.425  1.00  0.00     0.163 HD
-ATOM    667  CA  TRP A  65      62.274  93.854 -20.794  1.00 18.70     0.181 C 
-ATOM    668  C   TRP A  65      62.130  94.687 -22.063  1.00 19.23     0.241 C 
-ATOM    669  O   TRP A  65      63.089  94.901 -22.797  1.00 19.00    -0.271 OA
-ATOM    670  CB  TRP A  65      62.360  94.770 -19.548  1.00 18.02     0.075 C 
-ATOM    671  CG  TRP A  65      63.415  95.849 -19.644  1.00 16.36    -0.028 A 
-ATOM    672  CD1 TRP A  65      63.248  97.123 -20.127  1.00 15.50     0.096 A 
-ATOM    673  CD2 TRP A  65      64.786  95.760 -19.238  1.00 13.93    -0.002 A 
-ATOM    674  CE2 TRP A  65      65.394  97.008 -19.523  1.00 13.04     0.042 A 
-ATOM    675  CE3 TRP A  65      65.575  94.740 -18.684  1.00 13.08     0.014 A 
-ATOM    676  NE1 TRP A  65      64.429  97.826 -20.053  1.00 13.90    -0.365 N 
-ATOM    677  HE1 TRP A  65      64.564  98.794 -20.344  1.00  0.00     0.165 HD
-ATOM    678  CZ2 TRP A  65      66.750  97.266 -19.258  1.00 12.21     0.030 A 
-ATOM    679  CZ3 TRP A  65      66.913  94.981 -18.427  1.00 12.37     0.001 A 
-ATOM    680  CH2 TRP A  65      67.492  96.233 -18.707  1.00 12.43     0.002 A 
-ATOM    681  N   ASN A  66      60.920  95.152 -22.303  1.00 19.83    -0.346 N 
-ATOM    682  HN  ASN A  66      60.162  94.909 -21.665  1.00  0.00     0.163 HD
-ATOM    683  CA  ASN A  66      60.629  96.007 -23.457  1.00 20.95     0.185 C 
-ATOM    684  C   ASN A  66      61.150  97.436 -23.226  1.00 20.78     0.241 C 
-ATOM    685  O   ASN A  66      60.678  98.124 -22.332  1.00 21.11    -0.271 OA
-ATOM    686  CB  ASN A  66      59.110  96.022 -23.734  1.00 21.16     0.137 C 
-ATOM    687  CG  ASN A  66      58.755  96.698 -25.061  1.00 22.93     0.217 C 
-ATOM    688  ND2 ASN A  66      57.653  96.270 -25.682  1.00 25.18    -0.370 N 
-ATOM    689 1HD2 ASN A  66      57.076  95.514 -25.313  1.00  0.00     0.159 HD
-ATOM    690 2HD2 ASN A  66      57.416  96.720 -26.566  1.00  0.00     0.159 HD
-ATOM    691  OD1 ASN A  66      59.452  97.610 -25.506  1.00 23.23    -0.274 OA
-ATOM    692  N   SER A  67      62.109  97.897 -24.022  1.00 20.30    -0.344 N 
-ATOM    693  HN  SER A  67      62.450  97.317 -24.788  1.00  0.00     0.163 HD
-ATOM    694  CA  SER A  67      62.681  99.224 -23.813  1.00 19.73     0.200 C 
-ATOM    695  C   SER A  67      62.515 100.167 -24.982  1.00 20.09     0.243 C 
-ATOM    696  O   SER A  67      63.401 100.990 -25.213  1.00 19.03    -0.271 OA
-ATOM    697  CB  SER A  67      64.178  99.114 -23.515  1.00 20.09     0.199 C 
-ATOM    698  OG  SER A  67      64.880  98.625 -24.640  1.00 18.82    -0.398 OA
-ATOM    699  HG  SER A  67      65.809  98.557 -24.455  1.00  0.00     0.209 HD
-ATOM    700  N   SER A  68      61.407 100.048 -25.726  1.00 20.80    -0.344 N 
-ATOM    701  HN  SER A  68      60.755  99.287 -25.536  1.00  0.00     0.163 HD
-ATOM    702  CA  SER A  68      61.115 100.994 -26.811  1.00 21.47     0.200 C 
-ATOM    703  C   SER A  68      61.024 102.407 -26.243  1.00 21.53     0.243 C 
-ATOM    704  O   SER A  68      61.471 103.364 -26.878  1.00 21.21    -0.271 OA
-ATOM    705  CB  SER A  68      59.827 100.638 -27.565  1.00 22.04     0.199 C 
-ATOM    706  OG  SER A  68      58.697 100.601 -26.705  1.00 23.30    -0.398 OA
-ATOM    707  HG  SER A  68      57.900 100.381 -27.172  1.00  0.00     0.209 HD
-ATOM    708  N   HIS A  69      60.488 102.522 -25.029  1.00 21.50    -0.346 N 
-ATOM    709  HN  HIS A  69      60.140 101.690 -24.552  1.00  0.00     0.163 HD
-ATOM    710  CA  HIS A  69      60.392 103.820 -24.374  1.00 21.89     0.182 C 
-ATOM    711  C   HIS A  69      60.923 103.811 -22.934  1.00 21.88     0.241 C 
-ATOM    712  O   HIS A  69      60.409 104.513 -22.072  1.00 22.07    -0.271 OA
-ATOM    713  CB  HIS A  69      58.955 104.370 -24.499  1.00 21.77     0.093 C 
-ATOM    714  CG  HIS A  69      58.546 104.625 -25.922  1.00 22.85     0.028 A 
-ATOM    715  CD2 HIS A  69      57.782 103.900 -26.776  1.00 23.75     0.114 A 
-ATOM    716  ND1 HIS A  69      58.999 105.712 -26.646  1.00 23.18    -0.354 N 
-ATOM    717  HD1 HIS A  69      59.611 106.445 -26.287  1.00  0.00     0.166 HD
-ATOM    718  CE1 HIS A  69      58.516 105.655 -27.875  1.00 23.84     0.180 A 
-ATOM    719  NE2 HIS A  69      57.770 104.569 -27.981  1.00 23.41    -0.360 N 
-ATOM    720  HE2 HIS A  69      57.267 104.274 -28.818  1.00  0.00     0.166 HD
-ATOM    721  N   SER A  70      61.975 103.029 -22.702  1.00 22.14    -0.344 N 
-ATOM    722  HN  SER A  70      62.379 102.523 -23.490  1.00  0.00     0.163 HD
-ATOM    723  CA  SER A  70      62.589 102.851 -21.378  1.00 22.03     0.200 C 
-ATOM    724  C   SER A  70      64.136 102.825 -21.488  1.00 21.78     0.245 C 
-ATOM    725  O   SER A  70      64.675 102.598 -22.561  1.00 21.72    -0.271 OA
-ATOM    726  CB  SER A  70      62.065 101.558 -20.718  1.00 21.93     0.199 C 
-ATOM    727  OG  SER A  70      60.630 101.565 -20.716  1.00 22.64    -0.398 OA
-ATOM    728  HG  SER A  70      60.307 100.769 -20.310  1.00  0.00     0.209 HD
-ATOM    729  N   PRO A  71      64.862 103.078 -20.399  1.00 21.59    -0.337 N 
-ATOM    730  CA  PRO A  71      66.309 102.819 -20.388  1.00 21.47     0.179 C 
-ATOM    731  C   PRO A  71      66.580 101.379 -20.842  1.00 20.96     0.241 C 
-ATOM    732  O   PRO A  71      65.811 100.468 -20.514  1.00 20.52    -0.271 OA
-ATOM    733  CB  PRO A  71      66.688 102.987 -18.920  1.00 21.25     0.037 C 
-ATOM    734  CG  PRO A  71      65.615 103.874 -18.358  1.00 21.43     0.022 C 
-ATOM    735  CD  PRO A  71      64.381 103.613 -19.111  1.00 21.56     0.127 C 
-ATOM    736  N   ASP A  72      67.630 101.192 -21.622  1.00 20.67    -0.346 N 
-ATOM    737  HN  ASP A  72      68.255 101.969 -21.835  1.00  0.00     0.163 HD
-ATOM    738  CA  ASP A  72      67.891  99.868 -22.177  1.00 21.50     0.186 C 
-ATOM    739  C   ASP A  72      69.043  99.120 -21.484  1.00 20.15     0.241 C 
-ATOM    740  O   ASP A  72      69.371  98.002 -21.873  1.00 20.05    -0.271 OA
-ATOM    741  CB  ASP A  72      68.077  99.933 -23.708  1.00 22.60     0.147 C 
-ATOM    742  CG  ASP A  72      69.459 100.341 -24.085  1.00 26.34     0.175 C 
-ATOM    743  OD1 ASP A  72      69.965 101.325 -23.501  1.00 29.99    -0.648 OA
-ATOM    744  OD2 ASP A  72      70.131  99.718 -24.929  1.00 31.55    -0.648 OA
-ATOM    745  N   GLN A  73      69.618  99.738 -20.448  1.00 18.67    -0.346 N 
-ATOM    746  HN  GLN A  73      69.335 100.695 -20.239  1.00  0.00     0.163 HD
-ATOM    747  CA  GLN A  73      70.636  99.112 -19.595  1.00 17.74     0.177 C 
-ATOM    748  C   GLN A  73      70.519  99.560 -18.157  1.00 16.34     0.241 C 
-ATOM    749  O   GLN A  73      70.195 100.698 -17.881  1.00 15.77    -0.271 OA
-ATOM    750  CB  GLN A  73      72.044  99.494 -20.054  1.00 17.82     0.044 C 
-ATOM    751  CG  GLN A  73      72.496  98.780 -21.275  1.00 20.65     0.105 C 
-ATOM    752  CD  GLN A  73      73.978  98.942 -21.542  1.00 22.63     0.215 C 
-ATOM    753  NE2 GLN A  73      74.329  99.185 -22.802  1.00 20.30    -0.370 N 
-ATOM    754 1HE2 GLN A  73      75.327  99.294 -22.982  1.00  0.00     0.159 HD
-ATOM    755 2HE2 GLN A  73      73.650  99.294 -23.555  1.00  0.00     0.159 HD
-ATOM    756  OE1 GLN A  73      74.798  98.810 -20.633  1.00 24.23    -0.274 OA
-ATOM    757  N   VAL A  74      70.838  98.668 -17.241  1.00 15.41    -0.346 N 
-ATOM    758  HN  VAL A  74      71.040  97.711 -17.531  1.00  0.00     0.163 HD
-ATOM    759  CA  VAL A  74      70.910  99.008 -15.830  1.00 14.62     0.180 C 
-ATOM    760  C   VAL A  74      72.094  98.289 -15.180  1.00 14.90     0.241 C 
-ATOM    761  O   VAL A  74      72.572  97.251 -15.676  1.00 14.44    -0.271 OA
-ATOM    762  CB  VAL A  74      69.598  98.625 -15.077  1.00 14.76     0.009 C 
-ATOM    763  CG1 VAL A  74      68.416  99.594 -15.436  1.00 13.58     0.012 C 
-ATOM    764  CG2 VAL A  74      69.249  97.182 -15.316  1.00 12.53     0.012 C 
-ATOM    765  N   SER A  75      72.538  98.815 -14.052  1.00 14.56    -0.344 N 
-ATOM    766  HN  SER A  75      72.231  99.751 -13.787  1.00  0.00     0.163 HD
-ATOM    767  CA  SER A  75      73.459  98.092 -13.172  1.00 15.39     0.200 C 
-ATOM    768  C   SER A  75      72.682  97.319 -12.094  1.00 15.75     0.243 C 
-ATOM    769  O   SER A  75      71.788  97.880 -11.450  1.00 16.34    -0.271 OA
-ATOM    770  CB  SER A  75      74.422  99.071 -12.501  1.00 15.28     0.199 C 
-ATOM    771  OG  SER A  75      75.247  99.686 -13.460  1.00 14.89    -0.398 OA
-ATOM    772  HG  SER A  75      75.846 100.295 -13.043  1.00  0.00     0.209 HD
-ATOM    773  N   VAL A  76      73.040  96.057 -11.877  1.00 15.66    -0.346 N 
-ATOM    774  HN  VAL A  76      73.867  95.700 -12.355  1.00  0.00     0.163 HD
-ATOM    775  CA  VAL A  76      72.312  95.159 -10.993  1.00 15.51     0.180 C 
-ATOM    776  C   VAL A  76      73.312  94.422 -10.066  1.00 16.37     0.243 C 
-ATOM    777  O   VAL A  76      74.330  93.871 -10.533  1.00 15.32    -0.271 OA
-ATOM    778  CB  VAL A  76      71.508  94.086 -11.826  1.00 16.17     0.009 C 
-ATOM    779  CG1 VAL A  76      70.662  93.172 -10.933  1.00 14.76     0.012 C 
-ATOM    780  CG2 VAL A  76      70.643  94.745 -12.895  1.00 14.28     0.012 C 
-ATOM    781  N   PRO A  77      73.046  94.425  -8.752  1.00 16.86    -0.337 N 
-ATOM    782  CA  PRO A  77      73.890  93.673  -7.816  1.00 17.10     0.179 A 
-ATOM    783  C   PRO A  77      73.912  92.173  -8.272  1.00 17.30     0.241 C 
-ATOM    784  O   PRO A  77      72.867  91.655  -8.605  1.00 16.62    -0.271 OA
-ATOM    785  CB  PRO A  77      73.199  93.850  -6.446  1.00 17.07     0.037 A 
-ATOM    786  CG  PRO A  77      72.136  94.802  -6.605  1.00 17.96     0.022 A 
-ATOM    787  CD  PRO A  77      71.952  95.155  -8.089  1.00 17.02     0.127 A 
-ATOM    788  N   ILE A  78      75.072  91.533  -8.332  1.00 17.68    -0.346 N 
-ATOM    789  HN  ILE A  78      75.933  92.015  -8.074  1.00  0.00     0.163 HD
-ATOM    790  CA  ILE A  78      75.119  90.138  -8.768  1.00 19.24     0.180 C 
-ATOM    791  C   ILE A  78      74.338  89.196  -7.844  1.00 20.08     0.241 C 
-ATOM    792  O   ILE A  78      73.968  88.093  -8.240  1.00 20.06    -0.271 OA
-ATOM    793  CB  ILE A  78      76.578  89.618  -8.982  1.00 20.04     0.013 C 
-ATOM    794  CG1 ILE A  78      77.362  89.600  -7.666  1.00 20.35     0.002 C 
-ATOM    795  CG2 ILE A  78      77.293  90.410 -10.094  1.00 18.69     0.012 C 
-ATOM    796  CD1 ILE A  78      78.608  88.735  -7.732  1.00 23.49     0.005 C 
-ATOM    797  N   SER A  79      74.065  89.643  -6.620  1.00 20.27    -0.344 N 
-ATOM    798  HN  SER A  79      74.454  90.533  -6.308  1.00  0.00     0.163 HD
-ATOM    799  CA  SER A  79      73.217  88.873  -5.726  1.00 21.22     0.200 C 
-ATOM    800  C   SER A  79      71.801  88.717  -6.249  1.00 20.92     0.243 C 
-ATOM    801  O   SER A  79      71.117  87.787  -5.863  1.00 21.13    -0.271 OA
-ATOM    802  CB  SER A  79      73.237  89.469  -4.311  1.00 21.84     0.199 C 
-ATOM    803  OG  SER A  79      72.532  90.696  -4.244  1.00 24.28    -0.398 OA
-ATOM    804  HG  SER A  79      72.544  91.065  -3.369  1.00  0.00     0.209 HD
-ATOM    805  N   SER A  80      71.382  89.586  -7.163  1.00 20.47    -0.344 N 
-ATOM    806  HN  SER A  80      72.000  90.346  -7.447  1.00  0.00     0.163 HD
-ATOM    807  CA  SER A  80      70.054  89.480  -7.774  1.00 20.97     0.200 C 
-ATOM    808  C   SER A  80      70.036  88.724  -9.114  1.00 20.33     0.243 C 
-ATOM    809  O   SER A  80      68.990  88.598  -9.726  1.00 20.83    -0.271 OA
-ATOM    810  CB  SER A  80      69.458  90.895  -7.997  1.00 20.96     0.199 C 
-ATOM    811  OG  SER A  80      69.110  91.488  -6.761  1.00 23.91    -0.398 OA
-ATOM    812  HG  SER A  80      68.745  92.354  -6.898  1.00  0.00     0.209 HD
-ATOM    813  N   LEU A  81      71.181  88.247  -9.563  1.00 19.66    -0.346 N 
-ATOM    814  HN  LEU A  81      72.006  88.325  -8.968  1.00  0.00     0.163 HD
-ATOM    815  CA  LEU A  81      71.327  87.606 -10.884  1.00 19.53     0.177 C 
-ATOM    816  C   LEU A  81      71.948  86.224 -10.738  1.00 18.61     0.241 C 
-ATOM    817  O   LEU A  81      72.778  86.021  -9.875  1.00 17.87    -0.271 OA
-ATOM    818  CB  LEU A  81      72.317  88.411 -11.756  1.00 20.35     0.038 C 
-ATOM    819  CG  LEU A  81      72.024  89.871 -12.150  1.00 21.68    -0.020 C 
-ATOM    820  CD1 LEU A  81      73.056  90.374 -13.128  1.00 22.77     0.009 C 
-ATOM    821  CD2 LEU A  81      70.723  89.904 -12.779  1.00 24.23     0.009 C 
-ATOM    822  N   TRP A  82      71.597  85.296 -11.619  1.00 17.82    -0.346 N 
-ATOM    823  HN  TRP A  82      70.737  85.404 -12.157  1.00  0.00     0.163 HD
-ATOM    824  CA  TRP A  82      72.439  84.122 -11.819  1.00 17.58     0.181 C 
-ATOM    825  C   TRP A  82      73.751  84.559 -12.464  1.00 17.65     0.241 C 
-ATOM    826  O   TRP A  82      73.746  85.316 -13.424  1.00 17.53    -0.271 OA
-ATOM    827  CB  TRP A  82      71.778  83.086 -12.716  1.00 16.52     0.075 C 
-ATOM    828  CG  TRP A  82      72.675  81.889 -12.976  1.00 17.07    -0.028 A 
-ATOM    829  CD1 TRP A  82      72.775  80.749 -12.202  1.00 16.08     0.096 A 
-ATOM    830  CD2 TRP A  82      73.577  81.703 -14.071  1.00 15.93    -0.002 A 
-ATOM    831  CE2 TRP A  82      74.164  80.417 -13.918  1.00 17.03     0.042 A 
-ATOM    832  CE3 TRP A  82      73.927  82.473 -15.199  1.00 15.16     0.014 A 
-ATOM    833  NE1 TRP A  82      73.666  79.875 -12.761  1.00 16.20    -0.365 N 
-ATOM    834  HE1 TRP A  82      73.920  78.964 -12.378  1.00  0.00     0.165 HD
-ATOM    835  CZ2 TRP A  82      75.092  79.890 -14.842  1.00 15.05     0.030 A 
-ATOM    836  CZ3 TRP A  82      74.835  81.949 -16.124  1.00 15.39     0.001 A 
-ATOM    837  CH2 TRP A  82      75.403  80.661 -15.938  1.00 15.98     0.002 A 
-ATOM    838  N   VAL A  83      74.848  84.038 -11.941  1.00 17.94    -0.346 N 
-ATOM    839  HN  VAL A  83      74.752  83.403 -11.148  1.00  0.00     0.163 HD
-ATOM    840  CA  VAL A  83      76.199  84.327 -12.444  1.00 18.61     0.180 C 
-ATOM    841  C   VAL A  83      76.889  82.979 -12.654  1.00 18.51     0.243 C 
-ATOM    842  O   VAL A  83      76.662  82.035 -11.896  1.00 18.60    -0.271 OA
-ATOM    843  CB  VAL A  83      76.938  85.259 -11.435  1.00 19.23     0.009 C 
-ATOM    844  CG1 VAL A  83      78.423  85.251 -11.588  1.00 21.15     0.012 C 
-ATOM    845  CG2 VAL A  83      76.413  86.702 -11.563  1.00 19.19     0.012 C 
-ATOM    846  N   PRO A  84      77.664  82.835 -13.724  1.00 18.72    -0.337 N 
-ATOM    847  CA  PRO A  84      78.339  81.553 -13.963  1.00 18.66     0.179 C 
-ATOM    848  C   PRO A  84      79.286  81.221 -12.802  1.00 18.28     0.241 C 
-ATOM    849  O   PRO A  84      79.898  82.135 -12.268  1.00 18.16    -0.271 OA
-ATOM    850  CB  PRO A  84      79.099  81.751 -15.278  1.00 18.59     0.037 C 
-ATOM    851  CG  PRO A  84      78.725  83.115 -15.819  1.00 19.24     0.022 C 
-ATOM    852  CD  PRO A  84      77.921  83.844 -14.779  1.00 18.84     0.127 C 
-ATOM    853  N   ASP A  85      79.340  79.952 -12.394  1.00 17.42    -0.346 N 
-ATOM    854  HN  ASP A  85      78.771  79.261 -12.882  1.00  0.00     0.163 HD
-ATOM    855  CA  ASP A  85      80.168  79.507 -11.291  1.00 17.47     0.186 C 
-ATOM    856  C   ASP A  85      81.619  79.221 -11.759  1.00 17.65     0.241 C 
-ATOM    857  O   ASP A  85      82.102  78.058 -11.680  1.00 16.88    -0.271 OA
-ATOM    858  CB  ASP A  85      79.516  78.262 -10.660  1.00 16.88     0.147 C 
-ATOM    859  CG  ASP A  85      79.525  77.059 -11.592  1.00 19.26     0.175 C 
-ATOM    860  OD1 ASP A  85      79.443  77.267 -12.839  1.00 18.85    -0.648 OA
-ATOM    861  OD2 ASP A  85      79.600  75.867 -11.179  1.00 20.08    -0.648 OA
-ATOM    862  N   LEU A  86      82.265  80.260 -12.311  1.00 16.85    -0.346 N 
-ATOM    863  HN  LEU A  86      81.803  81.168 -12.360  1.00  0.00     0.163 HD
-ATOM    864  CA  LEU A  86      83.619  80.114 -12.843  1.00 17.39     0.177 C 
-ATOM    865  C   LEU A  86      84.655  80.004 -11.726  1.00 17.43     0.241 C 
-ATOM    866  O   LEU A  86      84.519  80.643 -10.656  1.00 17.39    -0.271 OA
-ATOM    867  CB  LEU A  86      83.984  81.279 -13.767  1.00 17.03     0.038 C 
-ATOM    868  CG  LEU A  86      83.087  81.394 -15.021  1.00 17.31    -0.020 C 
-ATOM    869  CD1 LEU A  86      83.551  82.554 -15.816  1.00 17.59     0.009 C 
-ATOM    870  CD2 LEU A  86      83.096  80.115 -15.865  1.00 15.47     0.009 C 
-ATOM    871  N   ALA A  87      85.687  79.208 -11.966  1.00 16.84    -0.346 N 
-ATOM    872  HN  ALA A  87      85.699  78.627 -12.804  1.00  0.00     0.163 HD
-ATOM    873  CA  ALA A  87      86.811  79.162 -11.028  1.00 17.11     0.172 C 
-ATOM    874  C   ALA A  87      88.103  78.977 -11.788  1.00 17.24     0.240 C 
-ATOM    875  O   ALA A  87      88.125  78.329 -12.848  1.00 17.26    -0.271 OA
-ATOM    876  CB  ALA A  87      86.612  78.012  -9.983  1.00 16.79     0.042 C 
-ATOM    877  N   ALA A  88      89.190  79.531 -11.261  1.00 17.37    -0.346 N 
-ATOM    878  HN  ALA A  88      89.111  80.129 -10.439  1.00  0.00     0.163 HD
-ATOM    879  CA  ALA A  88      90.496  79.282 -11.860  1.00 17.31     0.172 C 
-ATOM    880  C   ALA A  88      91.014  77.996 -11.201  1.00 17.82     0.240 C 
-ATOM    881  O   ALA A  88      91.109  77.938  -9.974  1.00 17.61    -0.271 OA
-ATOM    882  CB  ALA A  88      91.404  80.422 -11.607  1.00 17.49     0.042 C 
-ATOM    883  N   TYR A  89      91.311  76.969 -12.015  1.00 17.18    -0.346 N 
-ATOM    884  HN  TYR A  89      91.212  77.103 -13.021  1.00  0.00     0.163 HD
-ATOM    885  CA  TYR A  89      91.777  75.647 -11.521  1.00 17.20     0.180 C 
-ATOM    886  C   TYR A  89      93.171  75.615 -10.868  1.00 17.05     0.241 C 
-ATOM    887  O   TYR A  89      93.470  74.723 -10.075  1.00 17.15    -0.271 OA
-ATOM    888  CB  TYR A  89      91.806  74.622 -12.647  1.00 17.08     0.073 C 
-ATOM    889  CG  TYR A  89      90.451  74.061 -13.036  1.00 18.53    -0.056 A 
-ATOM    890  CD1 TYR A  89      89.424  74.887 -13.511  1.00 18.69     0.010 A 
-ATOM    891  CD2 TYR A  89      90.210  72.666 -12.960  1.00 18.71     0.010 A 
-ATOM    892  CE1 TYR A  89      88.191  74.336 -13.880  1.00 21.80     0.037 A 
-ATOM    893  CE2 TYR A  89      88.997  72.129 -13.316  1.00 19.35     0.037 A 
-ATOM    894  CZ  TYR A  89      87.990  72.941 -13.774  1.00 22.44     0.065 A 
-ATOM    895  OH  TYR A  89      86.785  72.368 -14.123  1.00 24.33    -0.361 OA
-ATOM    896  HH  TYR A  89      86.650  71.430 -14.052  1.00  0.00     0.217 HD
-ATOM    897  N   ASN A  90      94.034  76.559 -11.221  1.00 16.24    -0.346 N 
-ATOM    898  HN  ASN A  90      93.763  77.249 -11.921  1.00  0.00     0.163 HD
-ATOM    899  CA  ASN A  90      95.368  76.626 -10.622  1.00 15.66     0.185 C 
-ATOM    900  C   ASN A  90      95.515  77.806  -9.631  1.00 15.50     0.241 C 
-ATOM    901  O   ASN A  90      96.625  78.238  -9.289  1.00 15.25    -0.271 OA
-ATOM    902  CB  ASN A  90      96.462  76.599 -11.711  1.00 14.91     0.137 C 
-ATOM    903  CG  ASN A  90      96.327  77.728 -12.744  1.00 16.65     0.217 C 
-ATOM    904  ND2 ASN A  90      97.484  78.272 -13.184  1.00 14.69    -0.370 N 
-ATOM    905 1HD2 ASN A  90      97.394  79.022 -13.870  1.00  0.00     0.159 HD
-ATOM    906 2HD2 ASN A  90      98.399  77.967 -12.852  1.00  0.00     0.159 HD
-ATOM    907  OD1 ASN A  90      95.198  78.104 -13.154  1.00 16.79    -0.274 OA
-ATOM    908  N   ALA A  91      94.387  78.369  -9.185  1.00 15.37    -0.346 N 
-ATOM    909  HN  ALA A  91      93.485  78.064  -9.551  1.00  0.00     0.163 HD
-ATOM    910  CA  ALA A  91      94.445  79.415  -8.179  1.00 15.27     0.172 C 
-ATOM    911  C   ALA A  91      94.822  78.779  -6.818  1.00 15.43     0.240 C 
-ATOM    912  O   ALA A  91      94.393  77.658  -6.462  1.00 14.42    -0.271 OA
-ATOM    913  CB  ALA A  91      93.142  80.136  -8.084  1.00 15.42     0.042 C 
-ATOM    914  N   ILE A  92      95.652  79.492  -6.079  1.00 15.24    -0.346 N 
-ATOM    915  HN  ILE A  92      95.992  80.384  -6.439  1.00  0.00     0.163 HD
-ATOM    916  CA  ILE A  92      96.095  79.047  -4.773  1.00 16.06     0.180 C 
-ATOM    917  C   ILE A  92      95.705  80.059  -3.723  1.00 16.82     0.241 C 
-ATOM    918  O   ILE A  92      96.146  79.964  -2.592  1.00 17.05    -0.271 OA
-ATOM    919  CB  ILE A  92      97.635  78.790  -4.755  1.00 16.45     0.013 C 
-ATOM    920  CG1 ILE A  92      98.404  80.089  -5.107  1.00 16.62     0.002 C 
-ATOM    921  CG2 ILE A  92      98.012  77.657  -5.700  1.00 15.46     0.012 C 
-ATOM    922  CD1 ILE A  92      99.919  80.002  -4.899  1.00 16.04     0.005 C 
-ATOM    923  N   SER A  93      94.908  81.047  -4.091  1.00 17.11    -0.344 N 
-ATOM    924  HN  SER A  93      94.741  81.224  -5.081  1.00  0.00     0.163 HD
-ATOM    925  CA  SER A  93      94.261  81.892  -3.074  1.00 18.69     0.200 C 
-ATOM    926  C   SER A  93      92.851  82.155  -3.536  1.00 19.10     0.243 C 
-ATOM    927  O   SER A  93      92.513  81.885  -4.696  1.00 19.16    -0.271 OA
-ATOM    928  CB  SER A  93      94.996  83.219  -2.892  1.00 18.49     0.199 C 
-ATOM    929  OG  SER A  93      94.833  84.027  -4.067  1.00 18.80    -0.398 OA
-ATOM    930  HG  SER A  93      95.290  84.852  -3.954  1.00  0.00     0.209 HD
-ATOM    931  N   LYS A  94      92.025  82.666  -2.637  1.00 19.36    -0.346 N 
-ATOM    932  HN  LYS A  94      92.311  82.842  -1.674  1.00  0.00     0.163 HD
-ATOM    933  CA  LYS A  94      90.690  82.959  -3.109  1.00 21.54     0.176 C 
-ATOM    934  C   LYS A  94      90.682  84.274  -3.870  1.00 21.24     0.243 C 
-ATOM    935  O   LYS A  94      91.538  85.147  -3.639  1.00 20.77    -0.271 OA
-ATOM    936  CB  LYS A  94      89.590  82.829  -2.036  1.00 22.66     0.035 C 
-ATOM    937  CG  LYS A  94      89.546  83.846  -0.944  1.00 23.33     0.004 C 
-ATOM    938  CD  LYS A  94      89.447  83.063   0.380  1.00 27.55     0.027 C 
-ATOM    939  CE  LYS A  94      88.003  82.886   0.915  1.00 30.69     0.229 C 
-ATOM    940  NZ  LYS A  94      87.999  82.543   2.438  1.00 30.42    -0.079 N 
-ATOM    941  HZ1 LYS A  94      87.049  82.427   2.790  1.00  0.00     0.274 HD
-ATOM    942  HZ2 LYS A  94      88.516  83.236   2.979  1.00  0.00     0.274 HD
-ATOM    943  HZ3 LYS A  94      88.575  81.726   2.639  1.00  0.00     0.274 HD
-ATOM    944  N   PRO A  95      89.757  84.365  -4.814  1.00 21.50    -0.337 N 
-ATOM    945  CA  PRO A  95      89.674  85.526  -5.694  1.00 21.75     0.179 C 
-ATOM    946  C   PRO A  95      89.246  86.719  -4.824  1.00 22.77     0.241 C 
-ATOM    947  O   PRO A  95      88.150  86.711  -4.255  1.00 24.46    -0.271 OA
-ATOM    948  CB  PRO A  95      88.598  85.160  -6.683  1.00 20.18     0.037 C 
-ATOM    949  CG  PRO A  95      87.812  84.037  -6.085  1.00 22.49     0.022 C 
-ATOM    950  CD  PRO A  95      88.644  83.408  -5.007  1.00 22.06     0.127 C 
-ATOM    951  N   GLU A  96      90.137  87.679  -4.645  1.00 22.50    -0.346 N 
-ATOM    952  HN  GLU A  96      91.089  87.532  -4.980  1.00  0.00     0.163 HD
-ATOM    953  CA  GLU A  96      89.812  88.942  -3.987  1.00 23.00     0.177 C 
-ATOM    954  C   GLU A  96      89.210  89.889  -5.036  1.00 22.17     0.241 C 
-ATOM    955  O   GLU A  96      89.928  90.331  -5.960  1.00 22.23    -0.271 OA
-ATOM    956  CB  GLU A  96      91.125  89.522  -3.449  1.00 23.67     0.045 C 
-ATOM    957  CG  GLU A  96      91.009  90.671  -2.480  1.00 28.51     0.116 C 
-ATOM    958  CD  GLU A  96      92.370  91.106  -1.915  1.00 35.10     0.172 C 
-ATOM    959  OE1 GLU A  96      93.294  90.251  -1.809  1.00 38.34    -0.648 OA
-ATOM    960  OE2 GLU A  96      92.514  92.299  -1.536  1.00 38.22    -0.648 OA
-ATOM    961  N   VAL A  97      87.908  90.163  -4.945  1.00 21.07    -0.346 N 
-ATOM    962  HN  VAL A  97      87.358  89.685  -4.232  1.00  0.00     0.163 HD
-ATOM    963  CA  VAL A  97      87.236  91.117  -5.821  1.00 19.78     0.180 C 
-ATOM    964  C   VAL A  97      87.454  92.547  -5.310  1.00 19.66     0.241 C 
-ATOM    965  O   VAL A  97      87.071  92.903  -4.196  1.00 19.08    -0.271 OA
-ATOM    966  CB  VAL A  97      85.728  90.818  -5.876  1.00 20.57     0.009 C 
-ATOM    967  CG1 VAL A  97      85.003  91.736  -6.844  1.00 18.82     0.012 C 
-ATOM    968  CG2 VAL A  97      85.461  89.338  -6.196  1.00 19.22     0.012 C 
-ATOM    969  N   LEU A  98      88.058  93.374  -6.137  1.00 18.96    -0.346 N 
-ATOM    970  HN  LEU A  98      88.268  93.071  -7.088  1.00  0.00     0.163 HD
-ATOM    971  CA  LEU A  98      88.429  94.711  -5.714  1.00 19.27     0.177 C 
-ATOM    972  C   LEU A  98      87.355  95.782  -5.978  1.00 18.97     0.241 C 
-ATOM    973  O   LEU A  98      87.461  96.873  -5.449  1.00 19.50    -0.271 OA
-ATOM    974  CB  LEU A  98      89.747  95.106  -6.378  1.00 19.09     0.038 C 
-ATOM    975  CG  LEU A  98      90.905  94.112  -6.246  1.00 19.89    -0.020 C 
-ATOM    976  CD1 LEU A  98      92.082  94.547  -7.104  1.00 19.35     0.009 C 
-ATOM    977  CD2 LEU A  98      91.363  93.970  -4.785  1.00 20.25     0.009 C 
-ATOM    978  N   THR A  99      86.331  95.450  -6.771  1.00 18.22    -0.344 N 
-ATOM    979  HN  THR A  99      86.195  94.466  -7.003  1.00  0.00     0.163 HD
-ATOM    980  CA  THR A  99      85.408  96.421  -7.315  1.00 18.02     0.205 C 
-ATOM    981  C   THR A  99      83.987  96.152  -6.823  1.00 18.65     0.245 C 
-ATOM    982  O   THR A  99      83.700  94.996  -6.423  1.00 18.95    -0.271 OA
-ATOM    983  CB  THR A  99      85.439  96.395  -8.858  1.00 17.91     0.146 C 
-ATOM    984  CG2 THR A  99      86.691  97.053  -9.386  1.00 16.68     0.042 C 
-ATOM    985  OG1 THR A  99      85.519  95.045  -9.340  1.00 16.77    -0.393 OA
-ATOM    986  HG1 THR A  99      85.538  95.029 -10.290  1.00  0.00     0.210 HD
-ATOM    987  N   PRO A 100      83.097  97.167  -6.876  1.00 18.78    -0.337 N 
-ATOM    988  CA  PRO A 100      81.659  96.953  -6.589  1.00 18.64     0.179 C 
-ATOM    989  C   PRO A 100      81.103  95.767  -7.417  1.00 19.01     0.241 C 
-ATOM    990  O   PRO A 100      81.370  95.625  -8.611  1.00 18.34    -0.271 OA
-ATOM    991  CB  PRO A 100      81.000  98.248  -7.049  1.00 18.79     0.037 C 
-ATOM    992  CG  PRO A 100      82.122  99.328  -6.901  1.00 19.18     0.022 C 
-ATOM    993  CD  PRO A 100      83.391  98.575  -7.244  1.00 18.43     0.127 C 
-ATOM    994  N   GLN A 101      80.315  94.937  -6.771  1.00 18.80    -0.346 N 
-ATOM    995  HN  GLN A 101      80.000  95.169  -5.829  1.00  0.00     0.163 HD
-ATOM    996  CA  GLN A 101      79.887  93.687  -7.390  1.00 19.92     0.177 C 
-ATOM    997  C   GLN A 101      78.546  93.871  -8.123  1.00 19.16     0.241 C 
-ATOM    998  O   GLN A 101      77.514  93.344  -7.710  1.00 19.35    -0.271 OA
-ATOM    999  CB  GLN A 101      79.869  92.574  -6.336  1.00 19.78     0.044 C 
-ATOM   1000  CG  GLN A 101      81.244  92.221  -5.871  1.00 23.68     0.105 C 
-ATOM   1001  CD  GLN A 101      81.271  91.152  -4.755  1.00 28.93     0.215 C 
-ATOM   1002  NE2 GLN A 101      82.119  91.367  -3.778  1.00 29.20    -0.370 N 
-ATOM   1003 1HE2 GLN A 101      82.718  92.192  -3.742  1.00  0.00     0.159 HD
-ATOM   1004 2HE2 GLN A 101      82.137  90.662  -3.042  1.00  0.00     0.159 HD
-ATOM   1005  OE1 GLN A 101      80.542  90.148  -4.799  1.00 31.81    -0.274 OA
-ATOM   1006  N   LEU A 102      78.599  94.642  -9.202  1.00 18.57    -0.346 N 
-ATOM   1007  HN  LEU A 102      79.509  95.010  -9.480  1.00  0.00     0.163 HD
-ATOM   1008  CA  LEU A 102      77.453  94.996 -10.011  1.00 17.80     0.177 C 
-ATOM   1009  C   LEU A 102      77.691  94.473 -11.399  1.00 17.42     0.241 C 
-ATOM   1010  O   LEU A 102      78.815  94.604 -11.936  1.00 17.00    -0.271 OA
-ATOM   1011  CB  LEU A 102      77.288  96.524 -10.069  1.00 17.89     0.038 C 
-ATOM   1012  CG  LEU A 102      77.130  97.261  -8.728  1.00 20.68    -0.020 C 
-ATOM   1013  CD1 LEU A 102      77.011  98.781  -8.956  1.00 21.82     0.009 C 
-ATOM   1014  CD2 LEU A 102      75.892  96.745  -7.978  1.00 20.55     0.009 C 
-ATOM   1015  N   ALA A 103      76.644  93.935 -12.007  1.00 16.23    -0.346 N 
-ATOM   1016  HN  ALA A 103      75.793  93.747 -11.477  1.00  0.00     0.163 HD
-ATOM   1017  CA  ALA A 103      76.696  93.610 -13.423  1.00 16.66     0.172 C 
-ATOM   1018  C   ALA A 103      75.879  94.600 -14.223  1.00 17.08     0.240 C 
-ATOM   1019  O   ALA A 103      74.909  95.177 -13.714  1.00 17.98    -0.271 OA
-ATOM   1020  CB  ALA A 103      76.162  92.206 -13.667  1.00 16.18     0.042 C 
-ATOM   1021  N   ARG A 104      76.233  94.767 -15.484  1.00 16.45    -0.346 N 
-ATOM   1022  HN  ARG A 104      77.086  94.323 -15.824  1.00  0.00     0.163 HD
-ATOM   1023  CA  ARG A 104      75.452  95.554 -16.382  1.00 16.48     0.176 C 
-ATOM   1024  C   ARG A 104      74.507  94.651 -17.213  1.00 16.02     0.241 C 
-ATOM   1025  O   ARG A 104      74.948  93.714 -17.873  1.00 16.50    -0.271 OA
-ATOM   1026  CB  ARG A 104      76.413  96.320 -17.283  1.00 16.52     0.036 C 
-ATOM   1027  CG  ARG A 104      75.812  97.493 -17.877  1.00 18.14     0.023 C 
-ATOM   1028  CD  ARG A 104      75.717  98.714 -16.978  1.00 17.92     0.138 C 
-ATOM   1029  NE  ARG A 104      75.138  99.745 -17.797  1.00 16.33    -0.227 N 
-ATOM   1030  HE  ARG A 104      75.213  99.631 -18.808  1.00  0.00     0.177 HD
-ATOM   1031  CZ  ARG A 104      74.517 100.828 -17.359  1.00 17.74     0.665 C 
-ATOM   1032  NH1 ARG A 104      74.384 101.069 -16.050  1.00 13.69    -0.235 N 
-ATOM   1033 1HH1 ARG A 104      73.905 101.904 -15.712  1.00  0.00     0.174 HD
-ATOM   1034 2HH1 ARG A 104      74.740 100.408 -15.360  1.00  0.00     0.174 HD
-ATOM   1035  NH2 ARG A 104      74.049 101.696 -18.265  1.00 15.41    -0.235 N 
-ATOM   1036 1HH2 ARG A 104      73.570 102.531 -17.927  1.00  0.00     0.174 HD
-ATOM   1037 2HH2 ARG A 104      74.150 101.512 -19.263  1.00  0.00     0.174 HD
-ATOM   1038  N   VAL A 105      73.218  94.939 -17.177  1.00 15.29    -0.346 N 
-ATOM   1039  HN  VAL A 105      72.918  95.770 -16.667  1.00  0.00     0.163 HD
-ATOM   1040  CA  VAL A 105      72.205  94.122 -17.834  1.00 14.96     0.180 C 
-ATOM   1041  C   VAL A 105      71.535  94.957 -18.917  1.00 15.17     0.241 C 
-ATOM   1042  O   VAL A 105      71.068  96.078 -18.639  1.00 14.97    -0.271 OA
-ATOM   1043  CB  VAL A 105      71.132  93.591 -16.793  1.00 15.12     0.009 C 
-ATOM   1044  CG1 VAL A 105      70.056  92.753 -17.458  1.00 14.20     0.012 C 
-ATOM   1045  CG2 VAL A 105      71.798  92.772 -15.726  1.00 14.83     0.012 C 
-ATOM   1046  N   VAL A 106      71.514  94.421 -20.137  1.00 14.69    -0.346 N 
-ATOM   1047  HN  VAL A 106      71.959  93.514 -20.277  1.00  0.00     0.163 HD
-ATOM   1048  CA  VAL A 106      70.880  95.075 -21.291  1.00 14.85     0.180 C 
-ATOM   1049  C   VAL A 106      69.465  94.552 -21.425  1.00 14.82     0.241 C 
-ATOM   1050  O   VAL A 106      69.181  93.413 -21.035  1.00 14.37    -0.271 OA
-ATOM   1051  CB  VAL A 106      71.708  94.832 -22.601  1.00 15.03     0.009 C 
-ATOM   1052  CG1 VAL A 106      71.178  95.670 -23.805  1.00 13.77     0.012 C 
-ATOM   1053  CG2 VAL A 106      73.167  95.187 -22.343  1.00 15.55     0.012 C 
-ATOM   1054  N   SER A 107      68.574  95.353 -21.989  1.00 15.11    -0.344 N 
-ATOM   1055  HN  SER A 107      68.875  96.253 -22.363  1.00  0.00     0.163 HD
-ATOM   1056  CA  SER A 107      67.141  94.964 -22.087  1.00 15.75     0.200 C 
-ATOM   1057  C   SER A 107      66.829  93.699 -22.880  1.00 16.24     0.243 C 
-ATOM   1058  O   SER A 107      65.732  93.163 -22.762  1.00 15.90    -0.271 OA
-ATOM   1059  CB  SER A 107      66.315  96.115 -22.658  1.00 15.61     0.199 C 
-ATOM   1060  OG  SER A 107      66.654  96.318 -24.003  1.00 15.30    -0.398 OA
-ATOM   1061  HG  SER A 107      66.140  97.034 -24.358  1.00  0.00     0.209 HD
-ATOM   1062  N   ASP A 108      67.776  93.220 -23.689  1.00 17.22    -0.345 N 
-ATOM   1063  HN  ASP A 108      68.639  93.745 -23.829  1.00  0.00     0.163 HD
-ATOM   1064  CA  ASP A 108      67.579  91.941 -24.377  1.00 18.09     0.186 C 
-ATOM   1065  C   ASP A 108      68.043  90.742 -23.542  1.00 17.96     0.241 C 
-ATOM   1066  O   ASP A 108      67.930  89.594 -23.979  1.00 18.02    -0.271 OA
-ATOM   1067  CB  ASP A 108      68.224  91.932 -25.767  1.00 18.52     0.147 C 
-ATOM   1068  CG  ASP A 108      69.738  92.081 -25.717  1.00 21.44     0.175 C 
-ATOM   1069  OD1 ASP A 108      70.329  92.204 -24.610  1.00 23.68    -0.648 OA
-ATOM   1070  OD2 ASP A 108      70.436  92.073 -26.740  1.00 24.65    -0.648 OA
-ATOM   1071  N   GLY A 109      68.539  91.013 -22.342  1.00 17.75    -0.351 N 
-ATOM   1072  HN  GLY A 109      68.598  91.988 -22.048  1.00  0.00     0.163 HD
-ATOM   1073  CA  GLY A 109      69.001  89.985 -21.429  1.00 17.79     0.225 C 
-ATOM   1074  C   GLY A 109      70.491  89.714 -21.467  1.00 17.75     0.236 C 
-ATOM   1075  O   GLY A 109      70.916  88.796 -20.827  1.00 18.19    -0.272 OA
-ATOM   1076  N   GLU A 110      71.271  90.479 -22.229  1.00 18.03    -0.346 N 
-ATOM   1077  HN  GLU A 110      70.846  91.168 -22.850  1.00  0.00     0.163 HD
-ATOM   1078  CA  GLU A 110      72.749  90.345 -22.189  1.00 18.85     0.177 C 
-ATOM   1079  C   GLU A 110      73.275  90.912 -20.891  1.00 17.82     0.241 C 
-ATOM   1080  O   GLU A 110      72.814  91.960 -20.434  1.00 17.80    -0.271 OA
-ATOM   1081  CB  GLU A 110      73.454  91.051 -23.346  1.00 19.14     0.045 C 
-ATOM   1082  CG  GLU A 110      73.196  90.488 -24.738  1.00 24.43     0.116 C 
-ATOM   1083  CD  GLU A 110      73.568  89.010 -24.882  1.00 31.36     0.172 C 
-ATOM   1084  OE1 GLU A 110      74.741  88.629 -24.599  1.00 33.67    -0.648 OA
-ATOM   1085  OE2 GLU A 110      72.676  88.223 -25.296  1.00 34.48    -0.648 OA
-ATOM   1086  N   VAL A 111      74.224  90.200 -20.296  1.00 17.25    -0.346 N 
-ATOM   1087  HN  VAL A 111      74.544  89.345 -20.751  1.00  0.00     0.163 HD
-ATOM   1088  CA  VAL A 111      74.834  90.575 -19.026  1.00 16.35     0.180 C 
-ATOM   1089  C   VAL A 111      76.334  90.696 -19.246  1.00 16.94     0.241 C 
-ATOM   1090  O   VAL A 111      76.910  89.859 -19.921  1.00 16.42    -0.271 OA
-ATOM   1091  CB  VAL A 111      74.556  89.534 -17.933  1.00 16.33     0.009 C 
-ATOM   1092  CG1 VAL A 111      75.037  90.035 -16.563  1.00 16.04     0.012 C 
-ATOM   1093  CG2 VAL A 111      73.088  89.242 -17.854  1.00 14.84     0.012 C 
-ATOM   1094  N   LEU A 112      76.931  91.760 -18.700  1.00 16.58    -0.346 N 
-ATOM   1095  HN  LEU A 112      76.339  92.498 -18.318  1.00  0.00     0.163 HD
-ATOM   1096  CA  LEU A 112      78.364  91.929 -18.618  1.00 16.85     0.177 C 
-ATOM   1097  C   LEU A 112      78.717  92.106 -17.145  1.00 17.14     0.241 C 
-ATOM   1098  O   LEU A 112      78.251  93.048 -16.504  1.00 16.09    -0.271 OA
-ATOM   1099  CB  LEU A 112      78.824  93.170 -19.395  1.00 17.33     0.038 C 
-ATOM   1100  CG  LEU A 112      80.264  93.669 -19.128  1.00 19.16    -0.020 C 
-ATOM   1101  CD1 LEU A 112      81.289  92.647 -19.548  1.00 16.63     0.009 C 
-ATOM   1102  CD2 LEU A 112      80.538  94.967 -19.863  1.00 20.17     0.009 C 
-ATOM   1103  N   TYR A 113      79.502  91.170 -16.608  1.00 17.01    -0.346 N 
-ATOM   1104  HN  TYR A 113      79.742  90.347 -17.160  1.00  0.00     0.163 HD
-ATOM   1105  CA  TYR A 113      80.024  91.292 -15.259  1.00 17.91     0.180 C 
-ATOM   1106  C   TYR A 113      81.527  91.326 -15.410  1.00 17.61     0.241 C 
-ATOM   1107  O   TYR A 113      82.082  90.425 -16.020  1.00 17.47    -0.271 OA
-ATOM   1108  CB  TYR A 113      79.546  90.114 -14.369  1.00 17.84     0.073 C 
-ATOM   1109  CG  TYR A 113      80.080  90.187 -12.971  1.00 19.10    -0.056 A 
-ATOM   1110  CD1 TYR A 113      80.120  91.411 -12.276  1.00 20.34     0.010 A 
-ATOM   1111  CD2 TYR A 113      80.613  89.061 -12.352  1.00 20.41     0.010 A 
-ATOM   1112  CE1 TYR A 113      80.650  91.494 -10.961  1.00 22.03     0.037 A 
-ATOM   1113  CE2 TYR A 113      81.120  89.126 -11.030  1.00 20.26     0.037 A 
-ATOM   1114  CZ  TYR A 113      81.136  90.351 -10.355  1.00 22.70     0.065 A 
-ATOM   1115  OH  TYR A 113      81.623  90.405  -9.079  1.00 26.86    -0.361 OA
-ATOM   1116  HH  TYR A 113      81.957  89.619  -8.662  1.00  0.00     0.217 HD
-ATOM   1117  N   MET A 114      82.179  92.375 -14.895  1.00 17.57    -0.346 N 
-ATOM   1118  HN  MET A 114      81.658  93.062 -14.350  1.00  0.00     0.163 HD
-ATOM   1119  CA  MET A 114      83.625  92.568 -15.091  1.00 17.51     0.177 C 
-ATOM   1120  C   MET A 114      84.295  93.033 -13.821  1.00 17.12     0.243 C 
-ATOM   1121  O   MET A 114      84.661  94.217 -13.710  1.00 16.92    -0.271 OA
-ATOM   1122  CB  MET A 114      83.859  93.589 -16.208  1.00 18.44     0.045 C 
-ATOM   1123  CG  MET A 114      85.305  93.663 -16.727  1.00 21.09     0.076 C 
-ATOM   1124  SD  MET A 114      85.501  94.432 -18.417  1.00 28.41    -0.173 SA
-ATOM   1125  CE  MET A 114      83.957  94.840 -18.844  1.00 26.74     0.089 C 
-ATOM   1126  N   PRO A 115      84.450  92.134 -12.851  1.00 16.64    -0.337 N 
-ATOM   1127  CA  PRO A 115      85.111  92.475 -11.601  1.00 16.83     0.179 C 
-ATOM   1128  C   PRO A 115      86.629  92.577 -11.795  1.00 17.09     0.241 C 
-ATOM   1129  O   PRO A 115      87.153  91.924 -12.685  1.00 17.01    -0.271 OA
-ATOM   1130  CB  PRO A 115      84.757  91.280 -10.681  1.00 16.89     0.037 C 
-ATOM   1131  CG  PRO A 115      84.606  90.125 -11.598  1.00 16.33     0.022 C 
-ATOM   1132  CD  PRO A 115      84.014  90.717 -12.865  1.00 16.82     0.127 C 
-ATOM   1133  N   SER A 116      87.295  93.426 -11.011  1.00 16.83    -0.344 N 
-ATOM   1134  HN  SER A 116      86.767  94.094 -10.449  1.00  0.00     0.163 HD
-ATOM   1135  CA  SER A 116      88.740  93.435 -10.928  1.00 17.01     0.200 C 
-ATOM   1136  C   SER A 116      89.111  92.479  -9.812  1.00 17.02     0.243 C 
-ATOM   1137  O   SER A 116      88.641  92.603  -8.699  1.00 16.72    -0.271 OA
-ATOM   1138  CB  SER A 116      89.274  94.807 -10.580  1.00 17.18     0.199 C 
-ATOM   1139  OG  SER A 116      90.673  94.760 -10.729  1.00 18.99    -0.398 OA
-ATOM   1140  HG  SER A 116      91.008  95.622 -10.510  1.00  0.00     0.209 HD
-ATOM   1141  N   ILE A 117      89.949  91.509 -10.125  1.00 17.50    -0.346 N 
-ATOM   1142  HN  ILE A 117      90.386  91.506 -11.046  1.00  0.00     0.163 HD
-ATOM   1143  CA  ILE A 117      90.267  90.429  -9.171  1.00 17.89     0.180 C 
-ATOM   1144  C   ILE A 117      91.749  90.388  -8.910  1.00 17.77     0.241 C 
-ATOM   1145  O   ILE A 117      92.543  90.456  -9.845  1.00 17.57    -0.271 OA
-ATOM   1146  CB  ILE A 117      89.788  89.100  -9.750  1.00 18.19     0.013 C 
-ATOM   1147  CG1 ILE A 117      88.247  89.077  -9.738  1.00 20.17     0.002 C 
-ATOM   1148  CG2 ILE A 117      90.347  87.905  -8.935  1.00 18.18     0.012 C 
-ATOM   1149  CD1 ILE A 117      87.603  87.768 -10.238  1.00 21.02     0.005 C 
-ATOM   1150  N   ARG A 118      92.119  90.310  -7.635  1.00 17.87    -0.346 N 
-ATOM   1151  HN  ARG A 118      91.436  90.507  -6.903  1.00  0.00     0.163 HD
-ATOM   1152  CA  ARG A 118      93.477  89.950  -7.263  1.00 17.69     0.176 C 
-ATOM   1153  C   ARG A 118      93.528  88.505  -6.799  1.00 17.60     0.241 C 
-ATOM   1154  O   ARG A 118      92.789  88.106  -5.905  1.00 17.44    -0.271 OA
-ATOM   1155  CB  ARG A 118      94.003  90.846  -6.175  1.00 18.14     0.036 C 
-ATOM   1156  CG  ARG A 118      95.454  90.524  -5.802  1.00 19.65     0.023 C 
-ATOM   1157  CD  ARG A 118      96.002  91.351  -4.669  1.00 22.98     0.138 C 
-ATOM   1158  NE  ARG A 118      97.412  91.058  -4.476  1.00 26.19    -0.227 N 
-ATOM   1159  HE  ARG A 118      97.755  90.156  -4.806  1.00  0.00     0.177 HD
-ATOM   1160  CZ  ARG A 118      98.293  91.879  -3.900  1.00 27.97     0.665 C 
-ATOM   1161  NH1 ARG A 118      97.907  93.072  -3.439  1.00 27.58    -0.235 N 
-ATOM   1162 1HH1 ARG A 118      98.580  93.699  -2.999  1.00  0.00     0.174 HD
-ATOM   1163 2HH1 ARG A 118      96.933  93.362  -3.523  1.00  0.00     0.174 HD
-ATOM   1164  NH2 ARG A 118      99.568  91.500  -3.790  1.00 27.14    -0.235 N 
-ATOM   1165 1HH2 ARG A 118     100.241  92.127  -3.350  1.00  0.00     0.174 HD
-ATOM   1166 2HH2 ARG A 118      99.863  90.589  -4.142  1.00  0.00     0.174 HD
-ATOM   1167  N   GLN A 119      94.405  87.706  -7.403  1.00 17.54    -0.346 N 
-ATOM   1168  HN  GLN A 119      95.036  88.083  -8.110  1.00  0.00     0.163 HD
-ATOM   1169  CA  GLN A 119      94.463  86.281  -7.051  1.00 17.11     0.177 C 
-ATOM   1170  C   GLN A 119      95.883  85.750  -7.263  1.00 16.90     0.241 C 
-ATOM   1171  O   GLN A 119      96.600  86.249  -8.132  1.00 17.05    -0.271 OA
-ATOM   1172  CB  GLN A 119      93.435  85.509  -7.899  1.00 17.18     0.044 C 
-ATOM   1173  CG  GLN A 119      93.143  84.061  -7.474  1.00 17.66     0.105 C 
-ATOM   1174  CD  GLN A 119      91.879  83.500  -8.071  1.00 18.22     0.215 C 
-ATOM   1175  NE2 GLN A 119      91.230  82.621  -7.327  1.00 18.36    -0.370 N 
-ATOM   1176 1HE2 GLN A 119      91.571  82.305  -6.419  1.00  0.00     0.159 HD
-ATOM   1177 2HE2 GLN A 119      90.374  82.241  -7.731  1.00  0.00     0.159 HD
-ATOM   1178  OE1 GLN A 119      91.466  83.882  -9.169  1.00 20.25    -0.274 OA
-ATOM   1179  N   ARG A 120      96.271  84.720  -6.503  1.00 16.34    -0.346 N 
-ATOM   1180  HN  ARG A 120      95.653  84.396  -5.759  1.00  0.00     0.163 HD
-ATOM   1181  CA  ARG A 120      97.561  84.037  -6.705  1.00 15.20     0.176 C 
-ATOM   1182  C   ARG A 120      97.435  82.673  -7.439  1.00 14.55     0.241 C 
-ATOM   1183  O   ARG A 120      96.520  81.897  -7.167  1.00 13.72    -0.271 OA
-ATOM   1184  CB  ARG A 120      98.341  83.867  -5.384  1.00 15.86     0.036 C 
-ATOM   1185  CG  ARG A 120      98.936  85.183  -4.761  1.00 17.52     0.023 C 
-ATOM   1186  CD  ARG A 120      99.825  84.916  -3.519  1.00 22.17     0.138 C 
-ATOM   1187  NE  ARG A 120      99.003  84.513  -2.375  1.00 30.71    -0.227 N 
-ATOM   1188  HE  ARG A 120      98.021  84.302  -2.554  1.00  0.00     0.177 HD
-ATOM   1189  CZ  ARG A 120      99.437  84.399  -1.112  1.00 36.29     0.665 C 
-ATOM   1190  NH1 ARG A 120     100.714  84.653  -0.797  1.00 36.71    -0.235 N 
-ATOM   1191 1HH1 ARG A 120     101.044  84.566   0.164  1.00  0.00     0.174 HD
-ATOM   1192 2HH1 ARG A 120     101.365  84.942  -1.527  1.00  0.00     0.174 HD
-ATOM   1193  NH2 ARG A 120      98.586  84.021  -0.158  1.00 36.45    -0.235 N 
-ATOM   1194 1HH2 ARG A 120      98.916  83.934   0.803  1.00  0.00     0.174 HD
-ATOM   1195 2HH2 ARG A 120      97.614  83.828  -0.398  1.00  0.00     0.174 HD
-ATOM   1196  N   PHE A 121      98.369  82.408  -8.353  1.00 12.85    -0.346 N 
-ATOM   1197  HN  PHE A 121      99.125  83.078  -8.496  1.00  0.00     0.163 HD
-ATOM   1198  CA  PHE A 121      98.344  81.192  -9.154  1.00 13.72     0.180 C 
-ATOM   1199  C   PHE A 121      99.608  80.387  -9.011  1.00 13.76     0.241 C 
-ATOM   1200  O   PHE A 121     100.669  80.909  -8.749  1.00 11.11    -0.271 OA
-ATOM   1201  CB  PHE A 121      98.083  81.508 -10.635  1.00 13.18     0.073 C 
-ATOM   1202  CG  PHE A 121      96.831  82.244 -10.838  1.00 13.22    -0.056 A 
-ATOM   1203  CD1 PHE A 121      96.826  83.641 -10.825  1.00 10.23     0.007 A 
-ATOM   1204  CD2 PHE A 121      95.615  81.550 -10.890  1.00 12.31     0.007 A 
-ATOM   1205  CE1 PHE A 121      95.626  84.341 -10.960  1.00 12.91     0.001 A 
-ATOM   1206  CE2 PHE A 121      94.432  82.222 -11.000  1.00 13.11     0.001 A 
-ATOM   1207  CZ  PHE A 121      94.425  83.649 -11.030  1.00 13.35     0.000 A 
-ATOM   1208  N   SER A 122      99.448  79.091  -9.207  1.00 16.00    -0.344 N 
-ATOM   1209  HN  SER A 122      98.502  78.710  -9.232  1.00  0.00     0.163 HD
-ATOM   1210  CA  SER A 122     100.563  78.198  -9.387  1.00 16.47     0.200 C 
-ATOM   1211  C   SER A 122     100.722  78.024 -10.907  1.00 17.24     0.243 C 
-ATOM   1212  O   SER A 122      99.783  77.637 -11.598  1.00 16.75    -0.271 OA
-ATOM   1213  CB  SER A 122     100.241  76.864  -8.709  1.00 16.36     0.199 C 
-ATOM   1214  OG  SER A 122     101.136  75.835  -9.145  1.00 15.88    -0.398 OA
-ATOM   1215  HG  SER A 122     100.936  75.007  -8.724  1.00  0.00     0.209 HD
-ATOM   1216  N   CYS A 123     101.901  78.356 -11.431  1.00 18.20    -0.345 N 
-ATOM   1217  HN  CYS A 123     102.648  78.673 -10.813  1.00  0.00     0.163 HD
-ATOM   1218  CA  CYS A 123     102.150  78.277 -12.869  1.00 19.98     0.186 C 
-ATOM   1219  C   CYS A 123     103.636  78.462 -13.161  1.00 19.89     0.242 C 
-ATOM   1220  O   CYS A 123     104.436  78.769 -12.260  1.00 19.85    -0.271 OA
-ATOM   1221  CB  CYS A 123     101.313  79.292 -13.655  1.00 20.91     0.120 C 
-ATOM   1222  SG  CYS A 123     101.686  80.981 -13.187  1.00 25.94    -0.095 SA
-ATOM   1223  N   ASP A 124     103.995  78.242 -14.421  1.00 19.92    -0.345 N 
-ATOM   1224  HN  ASP A 124     103.264  78.077 -15.113  1.00  0.00     0.163 HD
-ATOM   1225  CA  ASP A 124     105.387  78.226 -14.861  1.00 19.79     0.186 C 
-ATOM   1226  C   ASP A 124     105.976  79.651 -14.873  1.00 19.71     0.241 C 
-ATOM   1227  O   ASP A 124     105.631  80.473 -15.750  1.00 19.63    -0.271 OA
-ATOM   1228  CB  ASP A 124     105.481  77.596 -16.252  1.00 19.50     0.147 C 
-ATOM   1229  CG  ASP A 124     106.898  77.202 -16.622  1.00 20.41     0.175 C 
-ATOM   1230  OD1 ASP A 124     107.834  77.457 -15.822  1.00 19.76    -0.648 OA
-ATOM   1231  OD2 ASP A 124     107.172  76.635 -17.703  1.00 21.34    -0.648 OA
-ATOM   1232  N   VAL A 125     106.854  79.928 -13.914  1.00 19.03    -0.346 N 
-ATOM   1233  HN  VAL A 125     107.112  79.198 -13.250  1.00  0.00     0.163 HD
-ATOM   1234  CA  VAL A 125     107.460  81.256 -13.788  1.00 18.91     0.180 C 
-ATOM   1235  C   VAL A 125     108.885  81.250 -14.379  1.00 18.74     0.241 C 
-ATOM   1236  O   VAL A 125     109.562  82.283 -14.432  1.00 18.57    -0.271 OA
-ATOM   1237  CB  VAL A 125     107.406  81.773 -12.289  1.00 19.27     0.009 C 
-ATOM   1238  CG1 VAL A 125     108.120  83.101 -12.116  1.00 19.07     0.012 C 
-ATOM   1239  CG2 VAL A 125     105.970  81.898 -11.795  1.00 18.29     0.012 C 
-ATOM   1240  N   SER A 126     109.320  80.098 -14.871  1.00 18.29    -0.344 N 
-ATOM   1241  HN  SER A 126     108.696  79.291 -14.883  1.00  0.00     0.163 HD
-ATOM   1242  CA  SER A 126     110.671  79.963 -15.394  1.00 18.53     0.200 C 
-ATOM   1243  C   SER A 126     110.887  80.872 -16.622  1.00 18.27     0.242 C 
-ATOM   1244  O   SER A 126     110.022  81.005 -17.492  1.00 17.83    -0.271 OA
-ATOM   1245  CB  SER A 126     111.001  78.503 -15.735  1.00 18.55     0.199 C 
-ATOM   1246  OG  SER A 126     110.225  78.076 -16.853  1.00 18.74    -0.398 OA
-ATOM   1247  HG  SER A 126     110.429  77.173 -17.064  1.00  0.00     0.209 HD
-ATOM   1248  N   GLY A 127     112.049  81.504 -16.669  1.00 17.87    -0.350 N 
-ATOM   1249  HN  GLY A 127     112.735  81.344 -15.931  1.00  0.00     0.163 HD
-ATOM   1250  CA  GLY A 127     112.366  82.416 -17.743  1.00 17.66     0.225 C 
-ATOM   1251  C   GLY A 127     111.880  83.844 -17.546  1.00 17.34     0.236 C 
-ATOM   1252  O   GLY A 127     112.081  84.677 -18.420  1.00 17.28    -0.272 OA
-ATOM   1253  N   VAL A 128     111.265  84.139 -16.410  1.00 17.07    -0.346 N 
-ATOM   1254  HN  VAL A 128     111.186  83.426 -15.685  1.00  0.00     0.163 HD
-ATOM   1255  CA  VAL A 128     110.693  85.475 -16.174  1.00 17.25     0.180 C 
-ATOM   1256  C   VAL A 128     111.686  86.649 -16.360  1.00 17.07     0.241 C 
-ATOM   1257  O   VAL A 128     111.278  87.697 -16.816  1.00 16.99    -0.271 OA
-ATOM   1258  CB  VAL A 128     109.928  85.578 -14.829  1.00 16.86     0.009 C 
-ATOM   1259  CG1 VAL A 128     110.870  85.554 -13.660  1.00 16.81     0.012 C 
-ATOM   1260  CG2 VAL A 128     109.076  86.822 -14.790  1.00 17.29     0.012 C 
-ATOM   1261  N   ASP A 129     112.961  86.485 -16.008  1.00 15.84    -0.345 N 
-ATOM   1262  HN  ASP A 129     113.259  85.604 -15.589  1.00  0.00     0.163 HD
-ATOM   1263  CA  ASP A 129     113.945  87.563 -16.217  1.00 16.17     0.186 C 
-ATOM   1264  C   ASP A 129     114.814  87.357 -17.451  1.00 15.41     0.241 C 
-ATOM   1265  O   ASP A 129     115.972  87.716 -17.452  1.00 14.84    -0.271 OA
-ATOM   1266  CB  ASP A 129     114.859  87.776 -14.983  1.00 16.63     0.147 C 
-ATOM   1267  CG  ASP A 129     115.323  89.246 -14.808  1.00 17.57     0.175 C 
-ATOM   1268  OD1 ASP A 129     114.974  90.138 -15.615  1.00 21.49    -0.648 OA
-ATOM   1269  OD2 ASP A 129     116.057  89.615 -13.873  1.00 18.36    -0.648 OA
-ATOM   1270  N   THR A 130     114.275  86.738 -18.483  1.00 15.50    -0.344 N 
-ATOM   1271  HN  THR A 130     113.373  86.272 -18.387  1.00  0.00     0.163 HD
-ATOM   1272  CA  THR A 130     114.972  86.723 -19.759  1.00 16.17     0.205 C 
-ATOM   1273  C   THR A 130     114.060  87.445 -20.733  1.00 16.14     0.243 C 
-ATOM   1274  O   THR A 130     112.977  87.884 -20.354  1.00 15.49    -0.271 OA
-ATOM   1275  CB  THR A 130     115.298  85.285 -20.255  1.00 16.33     0.146 C 
-ATOM   1276  CG2 THR A 130     116.067  84.458 -19.183  1.00 15.43     0.042 C 
-ATOM   1277  OG1 THR A 130     114.076  84.570 -20.476  1.00 18.72    -0.393 OA
-ATOM   1278  HG1 THR A 130     113.607  85.075 -21.130  1.00  0.00     0.210 HD
-ATOM   1279  N   GLU A 131     114.514  87.559 -21.974  1.00 16.75    -0.346 N 
-ATOM   1280  HN  GLU A 131     115.392  87.096 -22.208  1.00  0.00     0.163 HD
-ATOM   1281  CA  GLU A 131     113.830  88.308 -23.024  1.00 18.00     0.177 C 
-ATOM   1282  C   GLU A 131     112.679  87.546 -23.633  1.00 17.68     0.241 C 
-ATOM   1283  O   GLU A 131     111.758  88.152 -24.182  1.00 16.91    -0.271 OA
-ATOM   1284  CB  GLU A 131     114.827  88.675 -24.138  1.00 18.07     0.045 C 
-ATOM   1285  CG  GLU A 131     115.985  89.483 -23.624  1.00 21.91     0.116 C 
-ATOM   1286  CD  GLU A 131     115.728  90.984 -23.628  1.00 27.45     0.172 C 
-ATOM   1287  OE1 GLU A 131     114.619  91.396 -23.207  1.00 28.42    -0.648 OA
-ATOM   1288  OE2 GLU A 131     116.658  91.755 -24.034  1.00 29.68    -0.648 OA
-ATOM   1289  N   SER A 132     112.774  86.217 -23.586  1.00 18.34    -0.344 N 
-ATOM   1290  HN  SER A 132     113.627  85.791 -23.224  1.00  0.00     0.163 HD
-ATOM   1291  CA  SER A 132     111.692  85.363 -24.038  1.00 19.08     0.200 C 
-ATOM   1292  C   SER A 132     110.576  85.347 -22.988  1.00 18.75     0.242 C 
-ATOM   1293  O   SER A 132     109.415  85.072 -23.307  1.00 19.09    -0.271 OA
-ATOM   1294  CB  SER A 132     112.229  83.955 -24.336  1.00 19.19     0.199 C 
-ATOM   1295  OG  SER A 132     112.743  83.362 -23.154  1.00 21.56    -0.398 OA
-ATOM   1296  HG  SER A 132     113.075  82.491 -23.338  1.00  0.00     0.209 HD
-ATOM   1297  N   GLY A 133     110.934  85.646 -21.737  1.00 18.77    -0.350 N 
-ATOM   1298  HN  GLY A 133     111.920  85.818 -21.540  1.00  0.00     0.163 HD
-ATOM   1299  CA  GLY A 133     109.976  85.737 -20.640  1.00 17.99     0.225 C 
-ATOM   1300  C   GLY A 133     109.412  84.406 -20.173  1.00 18.19     0.236 C 
-ATOM   1301  O   GLY A 133     109.789  83.342 -20.678  1.00 17.35    -0.272 OA
-ATOM   1302  N   ALA A 134     108.502  84.489 -19.203  1.00 18.10    -0.347 N 
-ATOM   1303  HN  ALA A 134     108.273  85.411 -18.831  1.00  0.00     0.163 HD
-ATOM   1304  CA  ALA A 134     107.821  83.335 -18.650  1.00 18.71     0.172 C 
-ATOM   1305  C   ALA A 134     106.454  83.242 -19.286  1.00 19.19     0.240 C 
-ATOM   1306  O   ALA A 134     105.936  84.246 -19.742  1.00 19.19    -0.271 OA
-ATOM   1307  CB  ALA A 134     107.684  83.479 -17.124  1.00 18.39     0.042 C 
-ATOM   1308  N   THR A 135     105.880  82.038 -19.324  1.00 19.92    -0.344 N 
-ATOM   1309  HN  THR A 135     106.431  81.223 -19.055  1.00  0.00     0.163 HD
-ATOM   1310  CA  THR A 135     104.484  81.841 -19.739  1.00 20.98     0.205 C 
-ATOM   1311  C   THR A 135     103.638  81.167 -18.649  1.00 21.51     0.243 C 
-ATOM   1312  O   THR A 135     103.751  79.965 -18.415  1.00 21.69    -0.271 OA
-ATOM   1313  CB  THR A 135     104.358  81.095 -21.076  1.00 21.22     0.146 C 
-ATOM   1314  CG2 THR A 135     102.912  81.148 -21.573  1.00 20.50     0.042 C 
-ATOM   1315  OG1 THR A 135     105.055  81.831 -22.097  1.00 24.08    -0.393 OA
-ATOM   1316  HG1 THR A 135     105.953  81.798 -21.788  1.00  0.00     0.210 HD
-ATOM   1317  N   CYS A 136     102.807  81.970 -17.995  1.00 21.57    -0.345 N 
-ATOM   1318  HN  CYS A 136     102.793  82.958 -18.247  1.00  0.00     0.163 HD
-ATOM   1319  CA  CYS A 136     101.921  81.518 -16.945  1.00 22.97     0.186 C 
-ATOM   1320  C   CYS A 136     100.546  81.222 -17.576  1.00 22.48     0.241 C 
-ATOM   1321  O   CYS A 136      99.975  82.064 -18.267  1.00 22.44    -0.271 OA
-ATOM   1322  CB  CYS A 136     101.828  82.602 -15.867  1.00 22.30     0.120 C 
-ATOM   1323  SG  CYS A 136     100.705  82.256 -14.488  1.00 32.31    -0.095 SA
-ATOM   1324  N   ARG A 137     100.062  79.998 -17.381  1.00 22.22    -0.346 N 
-ATOM   1325  HN  ARG A 137     100.602  79.344 -16.815  1.00  0.00     0.163 HD
-ATOM   1326  CA  ARG A 137      98.798  79.554 -17.939  1.00 21.76     0.176 C 
-ATOM   1327  C   ARG A 137      97.737  79.580 -16.852  1.00 20.82     0.241 C 
-ATOM   1328  O   ARG A 137      97.920  78.995 -15.792  1.00 20.46    -0.271 OA
-ATOM   1329  CB  ARG A 137      98.909  78.123 -18.478  1.00 22.30     0.036 C 
-ATOM   1330  CG  ARG A 137      99.848  77.894 -19.680  1.00 27.55     0.023 C 
-ATOM   1331  CD  ARG A 137      99.784  76.455 -20.308  1.00 34.46     0.138 C 
-ATOM   1332  NE  ARG A 137      98.958  75.526 -19.506  1.00 38.89    -0.227 N 
-ATOM   1333  HE  ARG A 137      97.947  75.661 -19.514  1.00  0.00     0.177 HD
-ATOM   1334  CZ  ARG A 137      99.446  74.521 -18.771  1.00 42.08     0.665 C 
-ATOM   1335  NH1 ARG A 137     100.759  74.285 -18.738  1.00 41.37    -0.235 N 
-ATOM   1336 1HH1 ARG A 137     101.131  73.518 -18.177  1.00  0.00     0.174 HD
-ATOM   1337 2HH1 ARG A 137     101.391  74.875 -19.279  1.00  0.00     0.174 HD
-ATOM   1338  NH2 ARG A 137      98.619  73.748 -18.062  1.00 43.48    -0.235 N 
-ATOM   1339 1HH2 ARG A 137      98.991  72.981 -17.501  1.00  0.00     0.174 HD
-ATOM   1340 2HH2 ARG A 137      97.615  73.928 -18.087  1.00  0.00     0.174 HD
-ATOM   1341  N   ILE A 138      96.624  80.248 -17.119  1.00 19.32    -0.346 N 
-ATOM   1342  HN  ILE A 138      96.524  80.732 -18.011  1.00  0.00     0.163 HD
-ATOM   1343  CA  ILE A 138      95.540  80.295 -16.142  1.00 18.62     0.180 C 
-ATOM   1344  C   ILE A 138      94.312  79.585 -16.737  1.00 18.29     0.241 C 
-ATOM   1345  O   ILE A 138      93.869  79.915 -17.847  1.00 17.87    -0.271 OA
-ATOM   1346  CB  ILE A 138      95.210  81.772 -15.706  1.00 17.63     0.013 C 
-ATOM   1347  CG1 ILE A 138      96.380  82.419 -14.942  1.00 14.50     0.002 C 
-ATOM   1348  CG2 ILE A 138      93.896  81.828 -14.942  1.00 14.08     0.012 C 
-ATOM   1349  CD1 ILE A 138      96.321  84.024 -14.961  1.00 16.42     0.005 C 
-ATOM   1350  N   LYS A 139      93.788  78.612 -16.001  1.00 17.31    -0.346 N 
-ATOM   1351  HN  LYS A 139      94.136  78.462 -15.054  1.00  0.00     0.163 HD
-ATOM   1352  CA  LYS A 139      92.729  77.755 -16.512  1.00 17.12     0.176 C 
-ATOM   1353  C   LYS A 139      91.415  78.090 -15.788  1.00 17.08     0.241 C 
-ATOM   1354  O   LYS A 139      91.311  77.916 -14.568  1.00 17.03    -0.271 OA
-ATOM   1355  CB  LYS A 139      93.143  76.289 -16.299  1.00 16.45     0.035 C 
-ATOM   1356  CG  LYS A 139      92.131  75.243 -16.785  1.00 17.21     0.004 C 
-ATOM   1357  CD  LYS A 139      92.586  73.814 -16.435  1.00 17.13     0.027 C 
-ATOM   1358  CE  LYS A 139      91.388  72.869 -16.423  1.00 17.73     0.229 C 
-ATOM   1359  NZ  LYS A 139      91.753  71.519 -15.948  1.00 21.32    -0.079 N 
-ATOM   1360  HZ1 LYS A 139      90.952  70.887 -15.940  1.00  0.00     0.274 HD
-ATOM   1361  HZ2 LYS A 139      92.203  71.558 -15.034  1.00  0.00     0.274 HD
-ATOM   1362  HZ3 LYS A 139      92.525  71.132 -16.491  1.00  0.00     0.274 HD
-ATOM   1363  N   ILE A 140      90.424  78.570 -16.536  1.00 16.85    -0.346 N 
-ATOM   1364  HN  ILE A 140      90.557  78.630 -17.546  1.00  0.00     0.163 HD
-ATOM   1365  CA  ILE A 140      89.153  79.014 -15.967  1.00 16.72     0.180 C 
-ATOM   1366  C   ILE A 140      87.998  78.248 -16.599  1.00 16.06     0.241 C 
-ATOM   1367  O   ILE A 140      87.938  78.114 -17.804  1.00 16.10    -0.271 OA
-ATOM   1368  CB  ILE A 140      88.978  80.581 -16.133  1.00 17.90     0.013 C 
-ATOM   1369  CG1 ILE A 140      89.832  81.353 -15.098  1.00 19.87     0.002 C 
-ATOM   1370  CG2 ILE A 140      87.522  81.027 -15.954  1.00 16.31     0.012 C 
-ATOM   1371  CD1 ILE A 140      90.014  82.879 -15.455  1.00 22.62     0.005 C 
-ATOM   1372  N   GLY A 141      87.091  77.730 -15.776  1.00 14.82    -0.351 N 
-ATOM   1373  HN  GLY A 141      87.219  77.819 -14.768  1.00  0.00     0.163 HD
-ATOM   1374  CA  GLY A 141      85.931  77.045 -16.286  1.00 14.60     0.225 C 
-ATOM   1375  C   GLY A 141      84.848  76.941 -15.259  1.00 14.70     0.236 C 
-ATOM   1376  O   GLY A 141      85.089  77.254 -14.090  1.00 15.10    -0.272 OA
-ATOM   1377  N   SER A 142      83.666  76.480 -15.655  1.00 14.15    -0.344 N 
-ATOM   1378  HN  SER A 142      83.497  76.289 -16.643  1.00  0.00     0.163 HD
-ATOM   1379  CA  SER A 142      82.605  76.246 -14.670  1.00 13.55     0.200 C 
-ATOM   1380  C   SER A 142      83.029  75.152 -13.713  1.00 13.58     0.243 C 
-ATOM   1381  O   SER A 142      83.549  74.089 -14.137  1.00 13.27    -0.271 OA
-ATOM   1382  CB  SER A 142      81.310  75.821 -15.324  1.00 13.81     0.199 C 
-ATOM   1383  OG  SER A 142      80.329  75.530 -14.332  1.00 13.99    -0.398 OA
-ATOM   1384  HG  SER A 142      79.515  75.263 -14.743  1.00  0.00     0.209 HD
-ATOM   1385  N   TRP A 143      82.808  75.391 -12.427  1.00 12.40    -0.346 N 
-ATOM   1386  HN  TRP A 143      82.382  76.273 -12.143  1.00  0.00     0.163 HD
-ATOM   1387  CA  TRP A 143      83.165  74.414 -11.426  1.00 12.20     0.181 C 
-ATOM   1388  C   TRP A 143      82.243  73.197 -11.421  1.00 12.19     0.241 C 
-ATOM   1389  O   TRP A 143      82.690  72.109 -11.160  1.00 12.22    -0.271 OA
-ATOM   1390  CB  TRP A 143      83.251  75.059 -10.019  1.00 11.48     0.075 C 
-ATOM   1391  CG  TRP A 143      84.041  74.213  -9.057  1.00 13.25    -0.028 A 
-ATOM   1392  CD1 TRP A 143      83.561  73.579  -7.969  1.00 13.69     0.096 A 
-ATOM   1393  CD2 TRP A 143      85.441  73.826  -9.153  1.00 12.81    -0.002 A 
-ATOM   1394  CE2 TRP A 143      85.717  72.980  -8.047  1.00 11.89     0.042 A 
-ATOM   1395  CE3 TRP A 143      86.482  74.136 -10.033  1.00 10.15     0.014 A 
-ATOM   1396  NE1 TRP A 143      84.551  72.849  -7.355  1.00 12.56    -0.365 N 
-ATOM   1397  HE1 TRP A 143      84.431  72.293  -6.508  1.00  0.00     0.165 HD
-ATOM   1398  CZ2 TRP A 143      86.989  72.429  -7.801  1.00 11.90     0.030 A 
-ATOM   1399  CZ3 TRP A 143      87.760  73.616  -9.783  1.00 10.55     0.001 A 
-ATOM   1400  CH2 TRP A 143      87.998  72.756  -8.688  1.00 11.59     0.002 A 
-ATOM   1401  N   THR A 144      80.939  73.407 -11.652  1.00 12.17    -0.344 N 
-ATOM   1402  HN  THR A 144      80.633  74.336 -11.941  1.00  0.00     0.163 HD
-ATOM   1403  CA  THR A 144      79.943  72.353 -11.505  1.00 11.45     0.205 C 
-ATOM   1404  C   THR A 144      79.045  72.133 -12.721  1.00 11.34     0.243 C 
-ATOM   1405  O   THR A 144      78.188  71.262 -12.684  1.00 11.30    -0.271 OA
-ATOM   1406  CB  THR A 144      79.037  72.675 -10.259  1.00 13.13     0.146 C 
-ATOM   1407  CG2 THR A 144      79.854  73.265  -9.154  1.00 11.70     0.042 C 
-ATOM   1408  OG1 THR A 144      78.140  73.753 -10.598  1.00  8.66    -0.393 OA
-ATOM   1409  HG1 THR A 144      77.593  73.947  -9.846  1.00  0.00     0.210 HD
-ATOM   1410  N   HIS A 145      79.188  72.927 -13.781  1.00 11.24    -0.346 N 
-ATOM   1411  HN  HIS A 145      79.893  73.664 -13.775  1.00  0.00     0.163 HD
-ATOM   1412  CA  HIS A 145      78.331  72.741 -14.957  1.00 10.87     0.182 C 
-ATOM   1413  C   HIS A 145      79.111  72.163 -16.143  1.00 11.04     0.241 C 
-ATOM   1414  O   HIS A 145      80.022  72.787 -16.659  1.00 11.81    -0.271 OA
-ATOM   1415  CB  HIS A 145      77.673  74.074 -15.319  1.00 10.60     0.093 C 
-ATOM   1416  CG  HIS A 145      76.627  74.526 -14.354  1.00  7.81     0.028 A 
-ATOM   1417  CD2 HIS A 145      76.682  75.402 -13.319  1.00 10.73     0.114 A 
-ATOM   1418  ND1 HIS A 145      75.301  74.152 -14.465  1.00  8.47    -0.354 N 
-ATOM   1419  HD1 HIS A 145      74.923  73.526 -15.176  1.00  0.00     0.166 HD
-ATOM   1420  CE1 HIS A 145      74.595  74.733 -13.503  1.00  9.85     0.180 A 
-ATOM   1421  NE2 HIS A 145      75.412  75.480 -12.780  1.00  7.98    -0.360 N 
-ATOM   1422  HE2 HIS A 145      75.148  76.025 -11.959  1.00  0.00     0.166 HD
-ATOM   1423  N   HIS A 146      78.794  70.948 -16.569  1.00 11.02    -0.346 N 
-ATOM   1424  HN  HIS A 146      78.075  70.415 -16.079  1.00  0.00     0.163 HD
-ATOM   1425  CA  HIS A 146      79.459  70.362 -17.729  1.00 11.25     0.182 C 
-ATOM   1426  C   HIS A 146      79.056  71.026 -19.042  1.00 11.42     0.241 C 
-ATOM   1427  O   HIS A 146      78.278  71.985 -19.043  1.00 11.38    -0.271 OA
-ATOM   1428  CB  HIS A 146      79.260  68.838 -17.796  1.00 11.63     0.093 C 
-ATOM   1429  CG  HIS A 146      77.837  68.408 -17.747  1.00 10.85     0.028 A 
-ATOM   1430  CD2 HIS A 146      77.158  67.667 -16.830  1.00  9.29     0.114 A 
-ATOM   1431  ND1 HIS A 146      76.932  68.735 -18.735  1.00 11.55    -0.354 N 
-ATOM   1432  HD1 HIS A 146      77.136  69.291 -19.565  1.00  0.00     0.166 HD
-ATOM   1433  CE1 HIS A 146      75.755  68.209 -18.430  1.00 12.32     0.180 A 
-ATOM   1434  NE2 HIS A 146      75.869  67.543 -17.288  1.00  9.18    -0.360 N 
-ATOM   1435  HE2 HIS A 146      75.122  67.024 -16.826  1.00  0.00     0.166 HD
-ATOM   1436  N   SER A 147      79.605  70.516 -20.142  1.00 11.58    -0.344 N 
-ATOM   1437  HN  SER A 147      80.115  69.635 -20.073  1.00  0.00     0.163 HD
-ATOM   1438  CA  SER A 147      79.504  71.172 -21.449  1.00 12.02     0.200 C 
-ATOM   1439  C   SER A 147      78.102  71.257 -22.055  1.00 11.91     0.243 C 
-ATOM   1440  O   SER A 147      77.862  72.047 -22.933  1.00 12.49    -0.271 OA
-ATOM   1441  CB  SER A 147      80.509  70.601 -22.436  1.00 12.05     0.199 C 
-ATOM   1442  OG  SER A 147      80.265  69.239 -22.678  1.00 14.11    -0.398 OA
-ATOM   1443  HG  SER A 147      80.893  68.882 -23.295  1.00  0.00     0.209 HD
-ATOM   1444  N   ARG A 148      77.162  70.472 -21.555  1.00 12.46    -0.346 N 
-ATOM   1445  HN  ARG A 148      77.398  69.783 -20.841  1.00  0.00     0.163 HD
-ATOM   1446  CA  ARG A 148      75.786  70.594 -22.026  1.00 12.90     0.176 C 
-ATOM   1447  C   ARG A 148      75.034  71.718 -21.300  1.00 12.83     0.241 C 
-ATOM   1448  O   ARG A 148      73.908  72.048 -21.667  1.00 12.80    -0.271 OA
-ATOM   1449  CB  ARG A 148      75.058  69.248 -21.921  1.00 13.72     0.036 C 
-ATOM   1450  CG  ARG A 148      75.650  68.164 -22.813  1.00 14.94     0.023 C 
-ATOM   1451  CD  ARG A 148      74.853  66.831 -22.788  1.00 25.16     0.138 C 
-ATOM   1452  NE  ARG A 148      75.178  65.933 -21.658  1.00 28.24    -0.227 N 
-ATOM   1453  HE  ARG A 148      76.111  65.522 -21.635  1.00  0.00     0.177 HD
-ATOM   1454  CZ  ARG A 148      74.333  65.618 -20.656  1.00 30.48     0.665 C 
-ATOM   1455  NH1 ARG A 148      73.095  66.121 -20.622  1.00 30.02    -0.235 N 
-ATOM   1456 1HH1 ARG A 148      72.456  65.883 -19.864  1.00  0.00     0.174 HD
-ATOM   1457 2HH1 ARG A 148      72.794  66.747 -21.369  1.00  0.00     0.174 HD
-ATOM   1458  NH2 ARG A 148      74.728  64.797 -19.677  1.00 28.91    -0.235 N 
-ATOM   1459 1HH2 ARG A 148      74.089  64.559 -18.919  1.00  0.00     0.174 HD
-ATOM   1460 2HH2 ARG A 148      75.673  64.413 -19.703  1.00  0.00     0.174 HD
-ATOM   1461  N   GLU A 149      75.679  72.320 -20.293  1.00 12.41    -0.346 N 
-ATOM   1462  HN  GLU A 149      76.651  72.071 -20.107  1.00  0.00     0.163 HD
-ATOM   1463  CA  GLU A 149      75.033  73.317 -19.459  1.00 12.50     0.177 C 
-ATOM   1464  C   GLU A 149      75.723  74.673 -19.581  1.00 12.72     0.241 C 
-ATOM   1465  O   GLU A 149      75.050  75.705 -19.662  1.00 12.44    -0.271 OA
-ATOM   1466  CB  GLU A 149      74.984  72.819 -18.015  1.00 13.47     0.045 C 
-ATOM   1467  CG  GLU A 149      73.989  71.674 -17.805  1.00 12.23     0.116 C 
-ATOM   1468  CD  GLU A 149      74.025  71.063 -16.398  1.00 14.85     0.172 C 
-ATOM   1469  OE1 GLU A 149      74.617  71.664 -15.483  1.00 16.01    -0.648 OA
-ATOM   1470  OE2 GLU A 149      73.456  69.953 -16.196  1.00 17.10    -0.648 OA
-ATOM   1471  N   ILE A 150      77.063  74.663 -19.606  1.00 12.78    -0.346 N 
-ATOM   1472  HN  ILE A 150      77.546  73.775 -19.468  1.00  0.00     0.163 HD
-ATOM   1473  CA  ILE A 150      77.853  75.851 -19.819  1.00 13.31     0.180 C 
-ATOM   1474  C   ILE A 150      78.971  75.548 -20.814  1.00 14.93     0.241 C 
-ATOM   1475  O   ILE A 150      79.731  74.582 -20.623  1.00 15.10    -0.271 OA
-ATOM   1476  CB  ILE A 150      78.444  76.357 -18.482  1.00 11.96     0.013 C 
-ATOM   1477  CG1 ILE A 150      77.365  77.031 -17.645  1.00 12.87     0.002 C 
-ATOM   1478  CG2 ILE A 150      79.564  77.277 -18.686  1.00  9.57     0.012 C 
-ATOM   1479  CD1 ILE A 150      77.879  77.545 -16.294  1.00  9.73     0.005 C 
-ATOM   1480  N   SER A 151      79.035  76.338 -21.895  1.00 15.92    -0.344 N 
-ATOM   1481  HN  SER A 151      78.226  76.899 -22.161  1.00  0.00     0.163 HD
-ATOM   1482  CA  SER A 151      80.246  76.399 -22.687  1.00 17.78     0.200 C 
-ATOM   1483  C   SER A 151      80.983  77.696 -22.363  1.00 19.11     0.243 C 
-ATOM   1484  O   SER A 151      80.357  78.722 -22.033  1.00 19.12    -0.271 OA
-ATOM   1485  CB  SER A 151      79.999  76.211 -24.191  1.00 17.10     0.199 C 
-ATOM   1486  OG  SER A 151      79.018  77.067 -24.685  1.00 18.98    -0.398 OA
-ATOM   1487  HG  SER A 151      78.865  76.951 -25.615  1.00  0.00     0.209 HD
-ATOM   1488  N   VAL A 152      82.308  77.623 -22.393  1.00 20.59    -0.346 N 
-ATOM   1489  HN  VAL A 152      82.754  76.731 -22.605  1.00  0.00     0.163 HD
-ATOM   1490  CA  VAL A 152      83.138  78.791 -22.129  1.00 22.56     0.180 C 
-ATOM   1491  C   VAL A 152      83.976  79.035 -23.355  1.00 24.45     0.241 C 
-ATOM   1492  O   VAL A 152      84.560  78.121 -23.925  1.00 24.61    -0.271 OA
-ATOM   1493  CB  VAL A 152      84.018  78.685 -20.839  1.00 21.53     0.009 C 
-ATOM   1494  CG1 VAL A 152      83.195  78.962 -19.586  1.00 22.64     0.012 C 
-ATOM   1495  CG2 VAL A 152      84.668  77.366 -20.736  1.00 20.56     0.012 C 
-ATOM   1496  N   ASP A 153      83.998  80.277 -23.778  1.00 25.94    -0.345 N 
-ATOM   1497  HN  ASP A 153      83.601  81.017 -23.199  1.00  0.00     0.163 HD
-ATOM   1498  CA  ASP A 153      84.577  80.600 -25.048  1.00 28.14     0.186 C 
-ATOM   1499  C   ASP A 153      85.372  81.874 -24.848  1.00 28.41     0.243 C 
-ATOM   1500  O   ASP A 153      84.872  82.814 -24.257  1.00 28.75    -0.271 OA
-ATOM   1501  CB  ASP A 153      83.468  80.779 -26.084  1.00 28.76     0.147 C 
-ATOM   1502  CG  ASP A 153      82.471  79.609 -26.084  1.00 33.47     0.175 C 
-ATOM   1503  OD1 ASP A 153      82.847  78.579 -26.708  1.00 31.01    -0.648 OA
-ATOM   1504  OD2 ASP A 153      81.325  79.625 -25.478  1.00 36.08    -0.648 OA
-ATOM   1505  N   PRO A 154      86.607  81.896 -25.334  1.00 29.08    -0.337 N 
-ATOM   1506  CA  PRO A 154      87.395  83.131 -25.332  1.00 29.54     0.179 C 
-ATOM   1507  C   PRO A 154      86.828  84.074 -26.380  1.00 30.61     0.241 C 
-ATOM   1508  O   PRO A 154      86.356  83.630 -27.421  1.00 30.72    -0.271 OA
-ATOM   1509  CB  PRO A 154      88.784  82.680 -25.774  1.00 28.97     0.037 C 
-ATOM   1510  CG  PRO A 154      88.618  81.317 -26.379  1.00 29.20     0.022 C 
-ATOM   1511  CD  PRO A 154      87.291  80.761 -25.994  1.00 28.58     0.127 C 
-ATOM   1512  N   THR A 155      86.869  85.364 -26.111  1.00 32.16    -0.344 N 
-ATOM   1513  HN  THR A 155      87.111  85.676 -25.171  1.00  0.00     0.163 HD
-ATOM   1514  CA  THR A 155      86.572  86.347 -27.143  1.00 33.71     0.205 C 
-ATOM   1515  C   THR A 155      87.713  87.358 -27.253  1.00 34.61     0.243 C 
-ATOM   1516  O   THR A 155      88.414  87.608 -26.279  1.00 35.03    -0.271 OA
-ATOM   1517  CB  THR A 155      85.215  87.012 -26.886  1.00 33.49     0.146 C 
-ATOM   1518  CG2 THR A 155      85.267  87.913 -25.644  1.00 34.48     0.042 C 
-ATOM   1519  OG1 THR A 155      84.912  87.902 -27.969  1.00 34.48    -0.393 OA
-ATOM   1520  HG1 THR A 155      84.071  88.314 -27.810  1.00  0.00     0.210 HD
-ATOM   1521  N   THR A 156      87.903  87.913 -28.444  1.00 35.90    -0.344 N 
-ATOM   1522  HN  THR A 156      87.235  87.712 -29.188  1.00  0.00     0.163 HD
-ATOM   1523  CA  THR A 156      89.026  88.799 -28.735  1.00 37.43     0.205 C 
-ATOM   1524  C   THR A 156      88.555  90.174 -29.180  1.00 38.55     0.243 C 
-ATOM   1525  O   THR A 156      87.549  90.307 -29.885  1.00 38.66    -0.271 OA
-ATOM   1526  CB  THR A 156      89.909  88.185 -29.852  1.00 37.23     0.146 C 
-ATOM   1527  CG2 THR A 156      91.191  88.987 -30.062  1.00 36.58     0.042 C 
-ATOM   1528  OG1 THR A 156      90.396  86.904 -29.429  1.00 37.59    -0.393 OA
-ATOM   1529  HG1 THR A 156      90.937  86.528 -30.113  1.00  0.00     0.210 HD
-ATOM   1530  N   GLU A 157      89.287  91.191 -28.748  1.00 40.15    -0.346 N 
-ATOM   1531  HN  GLU A 157      89.927  91.038 -27.969  1.00  0.00     0.163 HD
-ATOM   1532  CA  GLU A 157      89.212  92.524 -29.346  1.00 41.94     0.177 C 
-ATOM   1533  C   GLU A 157      90.574  92.829 -30.004  1.00 42.15     0.241 C 
-ATOM   1534  O   GLU A 157      91.568  92.124 -29.757  1.00 42.48    -0.271 OA
-ATOM   1535  CB  GLU A 157      88.843  93.566 -28.273  1.00 42.50     0.045 C 
-ATOM   1536  CG  GLU A 157      87.342  93.864 -28.142  1.00 45.19     0.116 C 
-ATOM   1537  CD  GLU A 157      86.715  93.479 -26.783  1.00 48.41     0.172 C 
-ATOM   1538  OE1 GLU A 157      85.528  93.057 -26.775  1.00 48.60    -0.648 OA
-ATOM   1539  OE2 GLU A 157      87.378  93.601 -25.714  1.00 49.10    -0.648 OA
-ATOM   1540  N   ASN A 158      90.627  93.859 -30.844  1.00 42.39    -0.346 N 
-ATOM   1541  HN  ASN A 158      89.775  94.384 -31.043  1.00  0.00     0.163 HD
-ATOM   1542  CA  ASN A 158      91.880  94.257 -31.490  1.00 42.54     0.185 C 
-ATOM   1543  C   ASN A 158      92.802  95.072 -30.586  1.00 42.24     0.241 C 
-ATOM   1544  O   ASN A 158      93.870  95.518 -31.017  1.00 41.90    -0.271 OA
-ATOM   1545  CB  ASN A 158      91.589  95.046 -32.774  1.00 43.08     0.137 C 
-ATOM   1546  CG  ASN A 158      91.019  94.168 -33.889  1.00 44.11     0.217 C 
-ATOM   1547  ND2 ASN A 158      91.797  94.001 -34.963  1.00 44.29    -0.370 N 
-ATOM   1548 1HD2 ASN A 158      92.718  94.432 -35.049  1.00  0.00     0.159 HD
-ATOM   1549 2HD2 ASN A 158      91.417  93.415 -35.707  1.00  0.00     0.159 HD
-ATOM   1550  OD1 ASN A 158      89.895  93.642 -33.784  1.00 43.12    -0.274 OA
-ATOM   1551  N   SER A 159      92.380  95.266 -29.336  1.00 42.02    -0.344 N 
-ATOM   1552  HN  SER A 159      91.501  94.842 -29.040  1.00  0.00     0.163 HD
-ATOM   1553  CA  SER A 159      93.136  96.066 -28.377  1.00 41.76     0.200 C 
-ATOM   1554  C   SER A 159      94.453  95.388 -27.976  1.00 40.79     0.243 C 
-ATOM   1555  O   SER A 159      94.556  94.155 -28.016  1.00 41.15    -0.271 OA
-ATOM   1556  CB  SER A 159      92.274  96.420 -27.151  1.00 42.01     0.199 C 
-ATOM   1557  OG  SER A 159      92.201  95.374 -26.185  1.00 44.18    -0.398 OA
-ATOM   1558  HG  SER A 159      91.669  95.592 -25.429  1.00  0.00     0.209 HD
-ATOM   1559  N   ASP A 160      95.456  96.206 -27.642  1.00 39.24    -0.345 N 
-ATOM   1560  HN  ASP A 160      95.319  97.210 -27.762  1.00  0.00     0.163 HD
-ATOM   1561  CA  ASP A 160      96.740  95.741 -27.114  1.00 37.60     0.186 C 
-ATOM   1562  C   ASP A 160      96.522  95.129 -25.716  1.00 35.74     0.241 C 
-ATOM   1563  O   ASP A 160      95.655  95.575 -24.947  1.00 34.88    -0.271 OA
-ATOM   1564  CB  ASP A 160      97.760  96.907 -27.096  1.00 38.31     0.147 C 
-ATOM   1565  CG  ASP A 160      99.130  96.515 -26.483  1.00 40.49     0.175 C 
-ATOM   1566  OD1 ASP A 160      99.848  95.681 -27.091  1.00 43.35    -0.648 OA
-ATOM   1567  OD2 ASP A 160      99.578  97.002 -25.410  1.00 40.07    -0.648 OA
-ATOM   1568  N   ASP A 161      97.297  94.092 -25.402  1.00 33.79    -0.345 N 
-ATOM   1569  HN  ASP A 161      98.051  93.822 -26.033  1.00  0.00     0.163 HD
-ATOM   1570  CA  ASP A 161      97.086  93.329 -24.163  1.00 31.83     0.186 C 
-ATOM   1571  C   ASP A 161      97.429  94.192 -22.957  1.00 29.63     0.241 C 
-ATOM   1572  O   ASP A 161      97.041  93.891 -21.854  1.00 29.42    -0.271 OA
-ATOM   1573  CB  ASP A 161      97.928  92.044 -24.139  1.00 31.79     0.147 C 
-ATOM   1574  CG  ASP A 161      97.641  91.095 -25.321  1.00 32.87     0.175 C 
-ATOM   1575  OD1 ASP A 161      96.478  90.640 -25.482  1.00 32.57    -0.648 OA
-ATOM   1576  OD2 ASP A 161      98.550  90.729 -26.117  1.00 32.59    -0.648 OA
-ATOM   1577  N   SER A 162      98.174  95.264 -23.205  1.00 27.85    -0.344 N 
-ATOM   1578  HN  SER A 162      98.398  95.469 -24.179  1.00  0.00     0.163 HD
-ATOM   1579  CA  SER A 162      98.695  96.170 -22.184  1.00 25.68     0.200 C 
-ATOM   1580  C   SER A 162      97.845  97.449 -22.044  1.00 25.03     0.243 C 
-ATOM   1581  O   SER A 162      98.199  98.338 -21.266  1.00 25.04    -0.271 OA
-ATOM   1582  CB  SER A 162     100.151  96.558 -22.516  1.00 25.11     0.199 C 
-ATOM   1583  OG  SER A 162     101.091  95.675 -21.937  1.00 22.58    -0.398 OA
-ATOM   1584  HG  SER A 162     101.987  95.914 -22.141  1.00  0.00     0.209 HD
-ATOM   1585  N   GLU A 163      96.737  97.537 -22.783  1.00 24.05    -0.346 N 
-ATOM   1586  HN  GLU A 163      96.430  96.722 -23.314  1.00  0.00     0.163 HD
-ATOM   1587  CA  GLU A 163      95.947  98.771 -22.854  1.00 24.05     0.177 C 
-ATOM   1588  C   GLU A 163      95.698  99.324 -21.454  1.00 23.38     0.241 C 
-ATOM   1589  O   GLU A 163      95.891 100.518 -21.177  1.00 22.63    -0.271 OA
-ATOM   1590  CB  GLU A 163      94.617  98.532 -23.582  1.00 24.74     0.045 C 
-ATOM   1591  CG  GLU A 163      93.976  99.809 -24.121  1.00 28.60     0.116 C 
-ATOM   1592  CD  GLU A 163      92.879  99.580 -25.171  1.00 36.42     0.172 C 
-ATOM   1593  OE1 GLU A 163      91.867  98.897 -24.819  1.00 37.11    -0.648 OA
-ATOM   1594  OE2 GLU A 163      93.010 100.115 -26.332  1.00 35.87    -0.648 OA
-ATOM   1595  N   TYR A 164      95.302  98.422 -20.571  1.00 21.82    -0.346 N 
-ATOM   1596  HN  TYR A 164      95.114  97.471 -20.888  1.00  0.00     0.163 HD
-ATOM   1597  CA  TYR A 164      95.127  98.739 -19.173  1.00 22.05     0.180 C 
-ATOM   1598  C   TYR A 164      96.214  98.162 -18.247  1.00 20.83     0.241 C 
-ATOM   1599  O   TYR A 164      96.056  98.275 -17.064  1.00 20.28    -0.271 OA
-ATOM   1600  CB  TYR A 164      93.738  98.277 -18.709  1.00 21.73     0.073 C 
-ATOM   1601  CG  TYR A 164      92.705  98.457 -19.775  1.00 25.89    -0.056 A 
-ATOM   1602  CD1 TYR A 164      92.496  99.729 -20.327  1.00 30.20     0.010 A 
-ATOM   1603  CD2 TYR A 164      91.989  97.376 -20.299  1.00 25.88     0.010 A 
-ATOM   1604  CE1 TYR A 164      91.595  99.934 -21.328  1.00 32.86     0.037 A 
-ATOM   1605  CE2 TYR A 164      91.070  97.575 -21.324  1.00 31.39     0.037 A 
-ATOM   1606  CZ  TYR A 164      90.876  98.874 -21.819  1.00 34.27     0.065 A 
-ATOM   1607  OH  TYR A 164      89.988  99.185 -22.823  1.00 40.35    -0.361 OA
-ATOM   1608  HH  TYR A 164      89.857 100.064 -23.158  1.00  0.00     0.217 HD
-ATOM   1609  N   PHE A 165      97.276  97.532 -18.762  1.00 21.36    -0.346 N 
-ATOM   1610  HN  PHE A 165      97.350  97.393 -19.770  1.00  0.00     0.163 HD
-ATOM   1611  CA  PHE A 165      98.330  97.044 -17.874  1.00 19.79     0.180 C 
-ATOM   1612  C   PHE A 165      99.044  98.261 -17.313  1.00 19.18     0.241 C 
-ATOM   1613  O   PHE A 165      99.361  99.222 -18.041  1.00 18.74    -0.271 OA
-ATOM   1614  CB  PHE A 165      99.301  96.079 -18.562  1.00 19.39     0.073 C 
-ATOM   1615  CG  PHE A 165     100.204  95.337 -17.613  1.00 18.63    -0.056 A 
-ATOM   1616  CD1 PHE A 165      99.709  94.337 -16.774  1.00 17.56     0.007 A 
-ATOM   1617  CD2 PHE A 165     101.575  95.607 -17.595  1.00 17.40     0.007 A 
-ATOM   1618  CE1 PHE A 165     100.582  93.628 -15.904  1.00 18.07     0.001 A 
-ATOM   1619  CE2 PHE A 165     102.441  94.928 -16.733  1.00 17.40     0.001 A 
-ATOM   1620  CZ  PHE A 165     101.942  93.933 -15.879  1.00 17.44     0.000 A 
-ATOM   1621  N   SER A 166      99.267  98.248 -16.009  1.00 17.84    -0.344 N 
-ATOM   1622  HN  SER A 166      98.908  97.472 -15.453  1.00  0.00     0.163 HD
-ATOM   1623  CA  SER A 166     100.016  99.317 -15.339  1.00 17.69     0.200 C 
-ATOM   1624  C   SER A 166     101.435  99.582 -15.855  1.00 17.01     0.243 C 
-ATOM   1625  O   SER A 166     102.260  98.684 -15.873  1.00 16.30    -0.271 OA
-ATOM   1626  CB  SER A 166     100.077  99.035 -13.826  1.00 17.45     0.199 C 
-ATOM   1627  OG  SER A 166     100.832 100.034 -13.145  1.00 17.51    -0.398 OA
-ATOM   1628  HG  SER A 166     100.870  99.860 -12.212  1.00  0.00     0.209 HD
-ATOM   1629  N   GLN A 167     101.709 100.831 -16.228  1.00 17.28    -0.346 N 
-ATOM   1630  HN  GLN A 167     100.974 101.536 -16.177  1.00  0.00     0.163 HD
-ATOM   1631  CA  GLN A 167     103.051 101.224 -16.714  1.00 17.82     0.177 C 
-ATOM   1632  C   GLN A 167     104.069 101.279 -15.556  1.00 17.61     0.241 C 
-ATOM   1633  O   GLN A 167     105.274 101.476 -15.763  1.00 17.22    -0.271 OA
-ATOM   1634  CB  GLN A 167     102.998 102.577 -17.429  1.00 18.33     0.044 C 
-ATOM   1635  CG  GLN A 167     102.704 103.738 -16.484  1.00 19.96     0.105 C 
-ATOM   1636  CD  GLN A 167     102.492 105.070 -17.191  1.00 22.62     0.215 C 
-ATOM   1637  NE2 GLN A 167     101.228 105.527 -17.245  1.00 22.42    -0.370 N 
-ATOM   1638 1HE2 GLN A 167     100.434 105.018 -16.855  1.00  0.00     0.159 HD
-ATOM   1639 2HE2 GLN A 167     101.086 106.419 -17.719  1.00  0.00     0.159 HD
-ATOM   1640  OE1 GLN A 167     103.447 105.682 -17.660  1.00 22.84    -0.274 OA
-ATOM   1641  N   TYR A 168     103.566 101.084 -14.339  1.00 17.48    -0.346 N 
-ATOM   1642  HN  TYR A 168     102.573 100.871 -14.249  1.00  0.00     0.163 HD
-ATOM   1643  CA  TYR A 168     104.379 101.163 -13.127  1.00 17.30     0.180 C 
-ATOM   1644  C   TYR A 168     104.669  99.806 -12.520  1.00 16.89     0.241 C 
-ATOM   1645  O   TYR A 168     105.399  99.695 -11.559  1.00 17.04    -0.271 OA
-ATOM   1646  CB  TYR A 168     103.727 102.070 -12.082  1.00 17.34     0.073 C 
-ATOM   1647  CG  TYR A 168     103.463 103.471 -12.606  1.00 17.41    -0.056 A 
-ATOM   1648  CD1 TYR A 168     104.495 104.272 -13.073  1.00 17.08     0.010 A 
-ATOM   1649  CD2 TYR A 168     102.162 103.968 -12.681  1.00 17.49     0.010 A 
-ATOM   1650  CE1 TYR A 168     104.245 105.551 -13.581  1.00 18.10     0.037 A 
-ATOM   1651  CE2 TYR A 168     101.897 105.258 -13.188  1.00 16.84     0.037 A 
-ATOM   1652  CZ  TYR A 168     102.939 106.023 -13.636  1.00 17.77     0.065 A 
-ATOM   1653  OH  TYR A 168     102.685 107.270 -14.128  1.00 19.39    -0.361 OA
-ATOM   1654  HH  TYR A 168     101.792 107.593 -14.166  1.00  0.00     0.217 HD
-ATOM   1655  N   SER A 169     104.102  98.761 -13.094  1.00 16.24    -0.344 N 
-ATOM   1656  HN  SER A 169     103.327  98.903 -13.742  1.00  0.00     0.163 HD
-ATOM   1657  CA  SER A 169     104.561  97.419 -12.819  1.00 16.06     0.200 C 
-ATOM   1658  C   SER A 169     106.060  97.202 -13.102  1.00 15.96     0.243 C 
-ATOM   1659  O   SER A 169     106.640  97.889 -13.919  1.00 15.65    -0.271 OA
-ATOM   1660  CB  SER A 169     103.727  96.422 -13.632  1.00 16.07     0.199 C 
-ATOM   1661  OG  SER A 169     104.068  95.106 -13.278  1.00 15.32    -0.398 OA
-ATOM   1662  HG  SER A 169     103.551  94.488 -13.782  1.00  0.00     0.209 HD
-ATOM   1663  N   ARG A 170     106.645  96.232 -12.400  1.00 16.29    -0.346 N 
-ATOM   1664  HN  ARG A 170     106.093  95.773 -11.675  1.00  0.00     0.163 HD
-ATOM   1665  CA  ARG A 170     108.022  95.778 -12.595  1.00 16.92     0.176 C 
-ATOM   1666  C   ARG A 170     108.123  94.793 -13.753  1.00 15.97     0.241 C 
-ATOM   1667  O   ARG A 170     109.216  94.388 -14.167  1.00 15.33    -0.271 OA
-ATOM   1668  CB  ARG A 170     108.457  95.029 -11.347  1.00 17.49     0.036 C 
-ATOM   1669  CG  ARG A 170     109.355  95.788 -10.402  1.00 20.45     0.023 C 
-ATOM   1670  CD  ARG A 170     109.811  94.890  -9.236  1.00 23.95     0.138 C 
-ATOM   1671  NE  ARG A 170     108.659  94.154  -8.704  1.00 26.50    -0.227 N 
-ATOM   1672  HE  ARG A 170     107.729  94.496  -8.948  1.00  0.00     0.177 HD
-ATOM   1673  CZ  ARG A 170     108.732  93.066  -7.921  1.00 27.58     0.665 C 
-ATOM   1674  NH1 ARG A 170     109.927  92.567  -7.566  1.00 25.15    -0.235 N 
-ATOM   1675 1HH1 ARG A 170     110.787  93.005  -7.895  1.00  0.00     0.174 HD
-ATOM   1676 2HH1 ARG A 170     109.982  91.740  -6.971  1.00  0.00     0.174 HD
-ATOM   1677  NH2 ARG A 170     107.596  92.487  -7.486  1.00 25.18    -0.235 N 
-ATOM   1678 1HH2 ARG A 170     106.688  92.866  -7.756  1.00  0.00     0.174 HD
-ATOM   1679 2HH2 ARG A 170     107.651  91.660  -6.891  1.00  0.00     0.174 HD
-ATOM   1680  N   PHE A 171     106.955  94.383 -14.236  1.00 15.38    -0.346 N 
-ATOM   1681  HN  PHE A 171     106.100  94.743 -13.811  1.00  0.00     0.163 HD
-ATOM   1682  CA  PHE A 171     106.836  93.437 -15.352  1.00 15.16     0.180 C 
-ATOM   1683  C   PHE A 171     106.178  94.091 -16.562  1.00 15.48     0.241 C 
-ATOM   1684  O   PHE A 171     105.509  95.111 -16.425  1.00 15.45    -0.271 OA
-ATOM   1685  CB  PHE A 171     106.063  92.191 -14.918  1.00 14.06     0.073 C 
-ATOM   1686  CG  PHE A 171     106.592  91.590 -13.667  1.00 14.78    -0.056 A 
-ATOM   1687  CD1 PHE A 171     106.208  92.087 -12.437  1.00 14.56     0.007 A 
-ATOM   1688  CD2 PHE A 171     107.495  90.540 -13.717  1.00 16.47     0.007 A 
-ATOM   1689  CE1 PHE A 171     106.716  91.575 -11.290  1.00 15.34     0.001 A 
-ATOM   1690  CE2 PHE A 171     108.003  90.000 -12.551  1.00 17.20     0.001 A 
-ATOM   1691  CZ  PHE A 171     107.624  90.541 -11.331  1.00 16.40     0.000 A 
-ATOM   1692  N   GLU A 172     106.432  93.515 -17.733  1.00 16.04    -0.346 N 
-ATOM   1693  HN  GLU A 172     107.114  92.757 -17.757  1.00  0.00     0.163 HD
-ATOM   1694  CA  GLU A 172     105.797  93.900 -18.976  1.00 17.08     0.177 C 
-ATOM   1695  C   GLU A 172     105.210  92.642 -19.614  1.00 17.61     0.241 C 
-ATOM   1696  O   GLU A 172     105.724  91.527 -19.425  1.00 17.58    -0.271 OA
-ATOM   1697  CB  GLU A 172     106.775  94.600 -19.922  1.00 17.17     0.045 C 
-ATOM   1698  CG  GLU A 172     108.036  93.818 -20.277  1.00 18.94     0.116 C 
-ATOM   1699  CD  GLU A 172     108.980  94.586 -21.192  1.00 22.45     0.172 C 
-ATOM   1700  OE1 GLU A 172     108.536  95.567 -21.807  1.00 25.19    -0.648 OA
-ATOM   1701  OE2 GLU A 172     110.176  94.225 -21.305  1.00 22.96    -0.648 OA
-ATOM   1702  N   ILE A 173     104.103  92.826 -20.333  1.00 17.94    -0.346 N 
-ATOM   1703  HN  ILE A 173     103.715  93.766 -20.405  1.00  0.00     0.163 HD
-ATOM   1704  CA  ILE A 173     103.430  91.738 -21.017  1.00 18.18     0.180 C 
-ATOM   1705  C   ILE A 173     103.916  91.682 -22.443  1.00 18.55     0.241 C 
-ATOM   1706  O   ILE A 173     103.938  92.694 -23.135  1.00 18.66    -0.271 OA
-ATOM   1707  CB  ILE A 173     101.927  91.955 -20.953  1.00 18.33     0.013 C 
-ATOM   1708  CG1 ILE A 173     101.467  91.837 -19.499  1.00 18.77     0.002 C 
-ATOM   1709  CG2 ILE A 173     101.185  90.975 -21.866  1.00 18.24     0.012 C 
-ATOM   1710  CD1 ILE A 173     100.029  92.149 -19.316  1.00 20.65     0.005 C 
-ATOM   1711  N   LEU A 174     104.329  90.495 -22.863  1.00 18.91    -0.346 N 
-ATOM   1712  HN  LEU A 174     104.320  89.715 -22.206  1.00  0.00     0.163 HD
-ATOM   1713  CA  LEU A 174     104.794  90.255 -24.218  1.00 19.38     0.177 C 
-ATOM   1714  C   LEU A 174     103.656  89.776 -25.103  1.00 19.75     0.241 C 
-ATOM   1715  O   LEU A 174     103.556  90.168 -26.261  1.00 19.90    -0.271 OA
-ATOM   1716  CB  LEU A 174     105.934  89.239 -24.217  1.00 19.06     0.038 C 
-ATOM   1717  CG  LEU A 174     107.129  89.632 -23.351  1.00 19.40    -0.020 C 
-ATOM   1718  CD1 LEU A 174     108.161  88.504 -23.314  1.00 19.70     0.009 C 
-ATOM   1719  CD2 LEU A 174     107.763  90.930 -23.862  1.00 18.92     0.009 C 
-ATOM   1720  N   ASP A 175     102.803  88.930 -24.546  1.00 20.22    -0.346 N 
-ATOM   1721  HN  ASP A 175     102.923  88.689 -23.562  1.00  0.00     0.163 HD
-ATOM   1722  CA  ASP A 175     101.698  88.329 -25.286  1.00 21.20     0.186 C 
-ATOM   1723  C   ASP A 175     100.678  87.678 -24.352  1.00 21.00     0.241 C 
-ATOM   1724  O   ASP A 175     101.032  87.149 -23.304  1.00 20.54    -0.271 OA
-ATOM   1725  CB  ASP A 175     102.230  87.269 -26.255  1.00 21.81     0.147 C 
-ATOM   1726  CG  ASP A 175     101.441  87.207 -27.550  1.00 24.47     0.175 C 
-ATOM   1727  OD1 ASP A 175     100.325  87.792 -27.613  1.00 26.21    -0.648 OA
-ATOM   1728  OD2 ASP A 175     101.873  86.601 -28.576  1.00 28.10    -0.648 OA
-ATOM   1729  N   VAL A 176      99.411  87.742 -24.753  1.00 21.49    -0.346 N 
-ATOM   1730  HN  VAL A 176      99.190  88.342 -25.548  1.00  0.00     0.163 HD
-ATOM   1731  CA  VAL A 176      98.311  87.002 -24.121  1.00 22.06     0.180 C 
-ATOM   1732  C   VAL A 176      97.581  86.184 -25.207  1.00 22.95     0.241 C 
-ATOM   1733  O   VAL A 176      97.085  86.766 -26.177  1.00 22.70    -0.271 OA
-ATOM   1734  CB  VAL A 176      97.303  87.944 -23.379  1.00 21.91     0.009 C 
-ATOM   1735  CG1 VAL A 176      96.206  87.169 -22.664  1.00 21.25     0.012 C 
-ATOM   1736  CG2 VAL A 176      98.017  88.834 -22.370  1.00 21.18     0.012 C 
-ATOM   1737  N   THR A 177      97.566  84.848 -25.058  1.00 23.40    -0.344 N 
-ATOM   1738  HN  THR A 177      98.112  84.433 -24.303  1.00  0.00     0.163 HD
-ATOM   1739  CA  THR A 177      96.792  83.959 -25.943  1.00 24.03     0.205 C 
-ATOM   1740  C   THR A 177      95.832  83.074 -25.126  1.00 24.09     0.243 C 
-ATOM   1741  O   THR A 177      96.004  82.924 -23.927  1.00 23.26    -0.271 OA
-ATOM   1742  CB  THR A 177      97.688  83.056 -26.807  1.00 24.10     0.146 C 
-ATOM   1743  CG2 THR A 177      98.567  83.856 -27.759  1.00 24.94     0.042 C 
-ATOM   1744  OG1 THR A 177      98.637  82.371 -25.987  1.00 25.25    -0.393 OA
-ATOM   1745  HG1 THR A 177      99.191  81.813 -26.521  1.00  0.00     0.210 HD
-ATOM   1746  N   GLN A 178      94.853  82.460 -25.795  1.00 24.55    -0.346 N 
-ATOM   1747  HN  GLN A 178      94.806  82.560 -26.809  1.00  0.00     0.163 HD
-ATOM   1748  CA  GLN A 178      93.845  81.648 -25.112  1.00 26.04     0.177 C 
-ATOM   1749  C   GLN A 178      93.416  80.437 -25.909  1.00 25.78     0.241 C 
-ATOM   1750  O   GLN A 178      93.268  80.507 -27.119  1.00 26.90    -0.271 OA
-ATOM   1751  CB  GLN A 178      92.621  82.487 -24.786  1.00 26.49     0.044 C 
-ATOM   1752  CG  GLN A 178      92.614  83.792 -25.520  1.00 29.52     0.105 C 
-ATOM   1753  CD  GLN A 178      92.119  84.923 -24.665  1.00 32.78     0.215 C 
-ATOM   1754  NE2 GLN A 178      92.032  86.121 -25.252  1.00 32.26    -0.370 N 
-ATOM   1755 1HE2 GLN A 178      91.696  86.889 -24.671  1.00  0.00     0.159 HD
-ATOM   1756 2HE2 GLN A 178      92.290  86.287 -26.225  1.00  0.00     0.159 HD
-ATOM   1757  OE1 GLN A 178      91.807  84.722 -23.487  1.00 37.05    -0.274 OA
-ATOM   1758  N   LYS A 179      93.206  79.329 -25.213  1.00 25.54    -0.346 N 
-ATOM   1759  HN  LYS A 179      93.281  79.373 -24.197  1.00  0.00     0.163 HD
-ATOM   1760  CA  LYS A 179      92.870  78.040 -25.834  1.00 24.94     0.176 C 
-ATOM   1761  C   LYS A 179      91.613  77.563 -25.133  1.00 24.02     0.241 C 
-ATOM   1762  O   LYS A 179      91.463  77.796 -23.941  1.00 23.74    -0.271 OA
-ATOM   1763  CB  LYS A 179      94.000  77.036 -25.589  1.00 24.34     0.035 C 
-ATOM   1764  CG  LYS A 179      94.133  75.909 -26.618  1.00 26.07     0.004 C 
-ATOM   1765  CD  LYS A 179      95.234  74.888 -26.190  1.00 28.40     0.027 C 
-ATOM   1766  CE  LYS A 179      94.978  73.450 -26.752  1.00 30.51     0.229 C 
-ATOM   1767  NZ  LYS A 179      95.735  73.147 -28.033  1.00 28.25    -0.079 N 
-ATOM   1768  HZ1 LYS A 179      95.568  72.210 -28.399  1.00  0.00     0.274 HD
-ATOM   1769  HZ2 LYS A 179      96.734  73.310 -27.907  1.00  0.00     0.274 HD
-ATOM   1770  HZ3 LYS A 179      95.534  73.851 -28.743  1.00  0.00     0.274 HD
-ATOM   1771  N   LYS A 180      90.724  76.907 -25.856  1.00 22.63    -0.346 N 
-ATOM   1772  HN  LYS A 180      90.873  76.800 -26.859  1.00  0.00     0.163 HD
-ATOM   1773  CA  LYS A 180      89.543  76.339 -25.248  1.00 22.40     0.176 C 
-ATOM   1774  C   LYS A 180      89.823  74.859 -25.041  1.00 21.44     0.241 C 
-ATOM   1775  O   LYS A 180      90.475  74.242 -25.868  1.00 21.16    -0.271 OA
-ATOM   1776  CB  LYS A 180      88.311  76.572 -26.138  1.00 23.56     0.035 C 
-ATOM   1777  CG  LYS A 180      87.306  75.431 -26.083  1.00 24.80     0.004 C 
-ATOM   1778  CD  LYS A 180      86.024  75.751 -26.797  1.00 26.43     0.027 C 
-ATOM   1779  CE  LYS A 180      84.842  75.486 -25.895  1.00 24.43     0.229 C 
-ATOM   1780  NZ  LYS A 180      83.650  75.903 -26.636  1.00 23.99    -0.079 N 
-ATOM   1781  HZ1 LYS A 180      82.852  75.724 -26.027  1.00  0.00     0.274 HD
-ATOM   1782  HZ2 LYS A 180      83.567  75.459 -27.550  1.00  0.00     0.274 HD
-ATOM   1783  HZ3 LYS A 180      83.697  76.867 -26.967  1.00  0.00     0.274 HD
-ATOM   1784  N   ASN A 181      89.391  74.300 -23.912  1.00 19.91    -0.346 N 
-ATOM   1785  HN  ASN A 181      88.978  74.884 -23.185  1.00  0.00     0.163 HD
-ATOM   1786  CA  ASN A 181      89.503  72.870 -23.707  1.00 18.83     0.185 C 
-ATOM   1787  C   ASN A 181      88.257  72.254 -23.160  1.00 18.31     0.241 C 
-ATOM   1788  O   ASN A 181      87.419  72.931 -22.605  1.00 17.90    -0.271 OA
-ATOM   1789  CB  ASN A 181      90.631  72.552 -22.750  1.00 18.92     0.137 C 
-ATOM   1790  CG  ASN A 181      91.924  73.147 -23.183  1.00 20.41     0.217 C 
-ATOM   1791  ND2 ASN A 181      92.369  74.174 -22.445  1.00 23.23    -0.370 N 
-ATOM   1792 1HD2 ASN A 181      91.870  74.533 -21.631  1.00  0.00     0.159 HD
-ATOM   1793 2HD2 ASN A 181      93.255  74.582 -22.742  1.00  0.00     0.159 HD
-ATOM   1794  OD1 ASN A 181      92.529  72.711 -24.171  1.00 18.27    -0.274 OA
-ATOM   1795  N   SER A 182      88.170  70.946 -23.320  1.00 19.00    -0.344 N 
-ATOM   1796  HN  SER A 182      88.929  70.473 -23.811  1.00  0.00     0.163 HD
-ATOM   1797  CA  SER A 182      87.059  70.136 -22.840  1.00 19.11     0.200 C 
-ATOM   1798  C   SER A 182      87.710  69.000 -22.066  1.00 19.01     0.243 C 
-ATOM   1799  O   SER A 182      88.398  68.169 -22.651  1.00 17.40    -0.271 OA
-ATOM   1800  CB  SER A 182      86.235  69.594 -24.026  1.00 19.07     0.199 C 
-ATOM   1801  OG  SER A 182      84.834  69.699 -23.790  1.00 17.80    -0.398 OA
-ATOM   1802  HG  SER A 182      84.327  69.365 -24.520  1.00  0.00     0.209 HD
-ATOM   1803  N   VAL A 183      87.538  68.993 -20.745  1.00 18.29    -0.346 N 
-ATOM   1804  HN  VAL A 183      86.942  69.694 -20.305  1.00  0.00     0.163 HD
-ATOM   1805  CA  VAL A 183      88.201  67.984 -19.928  1.00 18.59     0.180 C 
-ATOM   1806  C   VAL A 183      87.216  67.126 -19.119  1.00 17.68     0.241 C 
-ATOM   1807  O   VAL A 183      86.193  67.610 -18.664  1.00 17.51    -0.271 OA
-ATOM   1808  CB  VAL A 183      89.248  68.633 -18.993  1.00 18.78     0.009 C 
-ATOM   1809  CG1 VAL A 183      90.091  67.553 -18.261  1.00 19.53     0.012 C 
-ATOM   1810  CG2 VAL A 183      90.155  69.555 -19.782  1.00 19.37     0.012 C 
-ATOM   1811  N   THR A 184      87.574  65.861 -18.940  1.00 18.01    -0.344 N 
-ATOM   1812  HN  THR A 184      88.432  65.549 -19.395  1.00  0.00     0.163 HD
-ATOM   1813  CA  THR A 184      86.835  64.869 -18.138  1.00 17.67     0.205 C 
-ATOM   1814  C   THR A 184      87.685  64.577 -16.903  1.00 17.50     0.243 C 
-ATOM   1815  O   THR A 184      88.883  64.340 -17.010  1.00 16.48    -0.271 OA
-ATOM   1816  CB  THR A 184      86.628  63.610 -18.999  1.00 17.75     0.146 C 
-ATOM   1817  CG2 THR A 184      85.863  62.504 -18.287  1.00 17.93     0.042 C 
-ATOM   1818  OG1 THR A 184      85.757  63.949 -20.070  1.00 17.33    -0.393 OA
-ATOM   1819  HG1 THR A 184      86.235  64.640 -20.515  1.00  0.00     0.210 HD
-ATOM   1820  N   TYR A 185      87.074  64.664 -15.730  1.00 18.02    -0.346 N 
-ATOM   1821  HN  TYR A 185      86.073  64.860 -15.704  1.00  0.00     0.163 HD
-ATOM   1822  CA  TYR A 185      87.799  64.486 -14.471  1.00 18.84     0.180 C 
-ATOM   1823  C   TYR A 185      87.389  63.152 -13.883  1.00 18.82     0.241 C 
-ATOM   1824  O   TYR A 185      86.474  62.538 -14.370  1.00 18.53    -0.271 OA
-ATOM   1825  CB  TYR A 185      87.513  65.660 -13.510  1.00 18.47     0.073 C 
-ATOM   1826  CG  TYR A 185      87.993  66.955 -14.112  1.00 20.14    -0.056 A 
-ATOM   1827  CD1 TYR A 185      87.146  67.738 -14.889  1.00 18.83     0.010 A 
-ATOM   1828  CD2 TYR A 185      89.327  67.349 -13.988  1.00 20.23     0.010 A 
-ATOM   1829  CE1 TYR A 185      87.596  68.911 -15.461  1.00 18.34     0.037 A 
-ATOM   1830  CE2 TYR A 185      89.788  68.523 -14.576  1.00 19.93     0.037 A 
-ATOM   1831  CZ  TYR A 185      88.910  69.293 -15.314  1.00 19.90     0.065 A 
-ATOM   1832  OH  TYR A 185      89.356  70.436 -15.924  1.00 20.39    -0.361 OA
-ATOM   1833  HH  TYR A 185      90.263  70.700 -15.823  1.00  0.00     0.217 HD
-ATOM   1834  N   SER A 186      88.046  62.708 -12.826  1.00 19.71    -0.344 N 
-ATOM   1835  HN  SER A 186      88.701  63.315 -12.333  1.00  0.00     0.163 HD
-ATOM   1836  CA  SER A 186      87.823  61.337 -12.371  1.00 20.54     0.200 C 
-ATOM   1837  C   SER A 186      86.507  61.216 -11.630  1.00 20.86     0.243 C 
-ATOM   1838  O   SER A 186      85.846  60.176 -11.701  1.00 20.27    -0.271 OA
-ATOM   1839  CB  SER A 186      89.012  60.819 -11.556  1.00 20.67     0.199 C 
-ATOM   1840  OG  SER A 186      89.857  60.010 -12.394  1.00 22.00    -0.398 OA
-ATOM   1841  HG  SER A 186      90.594  59.689 -11.889  1.00  0.00     0.209 HD
-ATOM   1842  N   CYS A 187      86.106  62.317 -10.993  1.00 20.71    -0.345 N 
-ATOM   1843  HN  CYS A 187      86.667  63.164 -11.086  1.00  0.00     0.163 HD
-ATOM   1844  CA  CYS A 187      84.895  62.368 -10.165  1.00 21.54     0.186 C 
-ATOM   1845  C   CYS A 187      83.584  62.085 -10.922  1.00 21.36     0.242 C 
-ATOM   1846  O   CYS A 187      82.575  61.645 -10.324  1.00 21.61    -0.271 OA
-ATOM   1847  CB  CYS A 187      84.777  63.784  -9.580  1.00 20.83     0.120 C 
-ATOM   1848  SG  CYS A 187      84.344  64.989 -10.871  1.00 24.19    -0.095 SA
-ATOM   1849  N   CYS A 188      83.596  62.396 -12.223  1.00 20.84    -0.345 N 
-ATOM   1850  HN  CYS A 188      84.496  62.500 -12.691  1.00  0.00     0.163 HD
-ATOM   1851  CA  CYS A 188      82.372  62.594 -13.005  1.00 20.49     0.186 C 
-ATOM   1852  C   CYS A 188      82.523  62.116 -14.454  1.00 19.77     0.244 C 
-ATOM   1853  O   CYS A 188      83.628  62.188 -15.013  1.00 19.45    -0.271 OA
-ATOM   1854  CB  CYS A 188      82.020  64.086 -12.996  1.00 20.79     0.120 C 
-ATOM   1855  SG  CYS A 188      82.328  64.873 -11.403  1.00 22.66    -0.095 SA
-ATOM   1856  N   PRO A 189      81.435  61.617 -15.051  1.00 19.02    -0.337 N 
-ATOM   1857  CA  PRO A 189      81.452  61.132 -16.441  1.00 19.08     0.179 C 
-ATOM   1858  C   PRO A 189      81.304  62.213 -17.536  1.00 18.78     0.241 C 
-ATOM   1859  O   PRO A 189      81.356  61.896 -18.725  1.00 18.42    -0.271 OA
-ATOM   1860  CB  PRO A 189      80.245  60.173 -16.479  1.00 19.02     0.037 C 
-ATOM   1861  CG  PRO A 189      79.258  60.810 -15.518  1.00 20.00     0.022 C 
-ATOM   1862  CD  PRO A 189      80.114  61.407 -14.415  1.00 18.73     0.127 C 
-ATOM   1863  N   GLU A 190      81.145  63.478 -17.171  1.00 18.81    -0.346 N 
-ATOM   1864  HN  GLU A 190      81.190  63.751 -16.189  1.00  0.00     0.163 HD
-ATOM   1865  CA  GLU A 190      80.902  64.472 -18.220  1.00 19.18     0.177 C 
-ATOM   1866  C   GLU A 190      82.125  65.331 -18.514  1.00 18.05     0.241 C 
-ATOM   1867  O   GLU A 190      83.041  65.394 -17.705  1.00 18.42    -0.271 OA
-ATOM   1868  CB  GLU A 190      79.659  65.316 -17.908  1.00 19.62     0.045 C 
-ATOM   1869  CG  GLU A 190      78.337  64.595 -18.133  1.00 23.56     0.116 C 
-ATOM   1870  CD  GLU A 190      78.074  64.219 -19.600  1.00 27.75     0.172 C 
-ATOM   1871  OE1 GLU A 190      77.426  65.021 -20.323  1.00 28.27    -0.648 OA
-ATOM   1872  OE2 GLU A 190      78.500  63.114 -20.036  1.00 31.91    -0.648 OA
-ATOM   1873  N   ALA A 191      82.146  65.952 -19.693  1.00 17.39    -0.346 N 
-ATOM   1874  HN  ALA A 191      81.397  65.766 -20.360  1.00  0.00     0.163 HD
-ATOM   1875  CA  ALA A 191      83.201  66.887 -20.062  1.00 16.37     0.172 C 
-ATOM   1876  C   ALA A 191      82.873  68.285 -19.538  1.00 15.91     0.240 C 
-ATOM   1877  O   ALA A 191      81.731  68.738 -19.601  1.00 15.09    -0.271 OA
-ATOM   1878  CB  ALA A 191      83.397  66.915 -21.557  1.00 16.52     0.042 C 
-ATOM   1879  N   TYR A 192      83.883  68.963 -19.009  1.00 15.70    -0.346 N 
-ATOM   1880  HN  TYR A 192      84.790  68.506 -18.912  1.00  0.00     0.163 HD
-ATOM   1881  CA  TYR A 192      83.734  70.357 -18.557  1.00 16.17     0.180 C 
-ATOM   1882  C   TYR A 192      84.618  71.217 -19.395  1.00 17.06     0.241 C 
-ATOM   1883  O   TYR A 192      85.788  70.855 -19.648  1.00 17.09    -0.271 OA
-ATOM   1884  CB  TYR A 192      84.137  70.484 -17.108  1.00 15.49     0.073 C 
-ATOM   1885  CG  TYR A 192      83.221  69.753 -16.198  1.00 15.74    -0.056 A 
-ATOM   1886  CD1 TYR A 192      83.332  68.372 -16.026  1.00 16.04     0.010 A 
-ATOM   1887  CD2 TYR A 192      82.219  70.427 -15.517  1.00 14.94     0.010 A 
-ATOM   1888  CE1 TYR A 192      82.464  67.678 -15.188  1.00 16.62     0.037 A 
-ATOM   1889  CE2 TYR A 192      81.357  69.752 -14.679  1.00 15.83     0.037 A 
-ATOM   1890  CZ  TYR A 192      81.489  68.374 -14.516  1.00 16.38     0.065 A 
-ATOM   1891  OH  TYR A 192      80.629  67.675 -13.713  1.00 17.79    -0.361 OA
-ATOM   1892  HH  TYR A 192      79.955  68.156 -13.248  1.00  0.00     0.217 HD
-ATOM   1893  N   GLU A 193      84.073  72.346 -19.861  1.00 17.74    -0.346 N 
-ATOM   1894  HN  GLU A 193      83.101  72.567 -19.644  1.00  0.00     0.163 HD
-ATOM   1895  CA  GLU A 193      84.870  73.274 -20.688  1.00 18.16     0.177 C 
-ATOM   1896  C   GLU A 193      85.698  74.227 -19.854  1.00 18.48     0.241 C 
-ATOM   1897  O   GLU A 193      85.295  74.626 -18.773  1.00 17.99    -0.271 OA
-ATOM   1898  CB  GLU A 193      83.992  74.022 -21.695  1.00 18.07     0.045 C 
-ATOM   1899  CG  GLU A 193      83.292  73.067 -22.650  1.00 18.19     0.116 C 
-ATOM   1900  CD  GLU A 193      82.622  73.759 -23.807  1.00 19.85     0.172 C 
-ATOM   1901  OE1 GLU A 193      82.735  75.008 -23.892  1.00 20.24    -0.648 OA
-ATOM   1902  OE2 GLU A 193      82.007  73.039 -24.637  1.00 21.61    -0.648 OA
-ATOM   1903  N   ASP A 194      86.880  74.566 -20.355  1.00 19.28    -0.346 N 
-ATOM   1904  HN  ASP A 194      87.233  74.076 -21.177  1.00  0.00     0.163 HD
-ATOM   1905  CA  ASP A 194      87.677  75.613 -19.761  1.00 20.31     0.186 C 
-ATOM   1906  C   ASP A 194      88.300  76.516 -20.829  1.00 19.98     0.241 C 
-ATOM   1907  O   ASP A 194      88.395  76.144 -21.990  1.00 19.37    -0.271 OA
-ATOM   1908  CB  ASP A 194      88.719  75.038 -18.821  1.00 20.60     0.147 C 
-ATOM   1909  CG  ASP A 194      89.817  74.297 -19.537  1.00 24.90     0.175 C 
-ATOM   1910  OD1 ASP A 194      90.678  74.951 -20.187  1.00 27.78    -0.648 OA
-ATOM   1911  OD2 ASP A 194      89.917  73.033 -19.484  1.00 29.44    -0.648 OA
-ATOM   1912  N   VAL A 195      88.661  77.733 -20.436  1.00 19.43    -0.346 N 
-ATOM   1913  HN  VAL A 195      88.315  78.108 -19.553  1.00  0.00     0.163 HD
-ATOM   1914  CA  VAL A 195      89.555  78.533 -21.272  1.00 19.72     0.180 C 
-ATOM   1915  C   VAL A 195      90.892  78.592 -20.552  1.00 19.17     0.241 C 
-ATOM   1916  O   VAL A 195      90.916  78.895 -19.347  1.00 18.97    -0.271 OA
-ATOM   1917  CB  VAL A 195      89.006  79.974 -21.484  1.00 19.99     0.009 C 
-ATOM   1918  CG1 VAL A 195      90.071  80.853 -22.178  1.00 21.01     0.012 C 
-ATOM   1919  CG2 VAL A 195      87.732  79.895 -22.320  1.00 20.21     0.012 C 
-ATOM   1920  N   GLU A 196      91.968  78.295 -21.264  1.00 18.47    -0.346 N 
-ATOM   1921  HN  GLU A 196      91.837  77.886 -22.189  1.00  0.00     0.163 HD
-ATOM   1922  CA  GLU A 196      93.342  78.523 -20.791  1.00 19.25     0.177 C 
-ATOM   1923  C   GLU A 196      93.887  79.845 -21.295  1.00 18.56     0.241 C 
-ATOM   1924  O   GLU A 196      93.952  80.093 -22.500  1.00 18.50    -0.271 OA
-ATOM   1925  CB  GLU A 196      94.301  77.383 -21.194  1.00 19.30     0.045 C 
-ATOM   1926  CG  GLU A 196      94.277  76.246 -20.183  1.00 23.15     0.116 C 
-ATOM   1927  CD  GLU A 196      94.866  74.913 -20.677  1.00 27.96     0.172 C 
-ATOM   1928  OE1 GLU A 196      95.516  74.855 -21.773  1.00 28.55    -0.648 OA
-ATOM   1929  OE2 GLU A 196      94.665  73.906 -19.935  1.00 28.62    -0.648 OA
-ATOM   1930  N   VAL A 197      94.268  80.704 -20.362  1.00 18.05    -0.346 N 
-ATOM   1931  HN  VAL A 197      94.171  80.457 -19.377  1.00  0.00     0.163 HD
-ATOM   1932  CA  VAL A 197      94.821  81.991 -20.730  1.00 17.83     0.180 C 
-ATOM   1933  C   VAL A 197      96.334  82.017 -20.505  1.00 17.44     0.241 C 
-ATOM   1934  O   VAL A 197      96.807  81.877 -19.396  1.00 17.08    -0.271 OA
-ATOM   1935  CB  VAL A 197      94.118  83.161 -19.992  1.00 17.92     0.009 C 
-ATOM   1936  CG1 VAL A 197      94.735  84.464 -20.397  1.00 17.32     0.012 C 
-ATOM   1937  CG2 VAL A 197      92.626  83.164 -20.318  1.00 18.03     0.012 C 
-ATOM   1938  N   SER A 198      97.091  82.199 -21.583  1.00 17.29    -0.344 N 
-ATOM   1939  HN  SER A 198      96.652  82.391 -22.484  1.00  0.00     0.163 HD
-ATOM   1940  CA  SER A 198      98.553  82.126 -21.485  1.00 17.73     0.200 C 
-ATOM   1941  C   SER A 198      99.159  83.521 -21.481  1.00 17.41     0.243 C 
-ATOM   1942  O   SER A 198      99.065  84.240 -22.467  1.00 16.93    -0.271 OA
-ATOM   1943  CB  SER A 198      99.131  81.250 -22.606  1.00 17.73     0.199 C 
-ATOM   1944  OG  SER A 198      98.749  79.892 -22.367  1.00 19.56    -0.398 OA
-ATOM   1945  HG  SER A 198      99.107  79.350 -23.061  1.00  0.00     0.209 HD
-ATOM   1946  N   LEU A 199      99.722  83.896 -20.342  1.00 17.00    -0.346 N 
-ATOM   1947  HN  LEU A 199      99.775  83.218 -19.582  1.00  0.00     0.163 HD
-ATOM   1948  CA  LEU A 199     100.269  85.226 -20.120  1.00 16.83     0.177 C 
-ATOM   1949  C   LEU A 199     101.769  85.110 -20.293  1.00 16.50     0.241 C 
-ATOM   1950  O   LEU A 199     102.441  84.443 -19.489  1.00 16.74    -0.271 OA
-ATOM   1951  CB  LEU A 199      99.913  85.720 -18.702  1.00 17.25     0.038 C 
-ATOM   1952  CG  LEU A 199     100.582  87.014 -18.185  1.00 18.18    -0.020 C 
-ATOM   1953  CD1 LEU A 199     100.132  88.172 -19.000  1.00 18.47     0.009 C 
-ATOM   1954  CD2 LEU A 199     100.276  87.269 -16.706  1.00 18.87     0.009 C 
-ATOM   1955  N   ASN A 200     102.285  85.713 -21.365  1.00 15.84    -0.346 N 
-ATOM   1956  HN  ASN A 200     101.656  86.175 -22.021  1.00  0.00     0.163 HD
-ATOM   1957  CA  ASN A 200     103.720  85.733 -21.630  1.00 15.75     0.185 C 
-ATOM   1958  C   ASN A 200     104.255  87.068 -21.137  1.00 15.33     0.241 C 
-ATOM   1959  O   ASN A 200     103.895  88.131 -21.660  1.00 15.11    -0.271 OA
-ATOM   1960  CB  ASN A 200     104.002  85.508 -23.124  1.00 15.91     0.137 C 
-ATOM   1961  CG  ASN A 200     105.502  85.467 -23.479  1.00 17.30     0.217 C 
-ATOM   1962  ND2 ASN A 200     106.349  85.021 -22.550  1.00 18.39    -0.370 N 
-ATOM   1963 1HD2 ASN A 200     106.039  84.733 -21.622  1.00  0.00     0.159 HD
-ATOM   1964 2HD2 ASN A 200     107.341  84.994 -22.785  1.00  0.00     0.159 HD
-ATOM   1965  OD1 ASN A 200     105.877  85.816 -24.602  1.00 17.88    -0.274 OA
-ATOM   1966  N   PHE A 201     105.106  87.021 -20.113  1.00 14.58    -0.346 N 
-ATOM   1967  HN  PHE A 201     105.444  86.119 -19.778  1.00  0.00     0.163 HD
-ATOM   1968  CA  PHE A 201     105.556  88.244 -19.470  1.00 14.13     0.180 C 
-ATOM   1969  C   PHE A 201     106.983  88.122 -19.017  1.00 13.46     0.241 C 
-ATOM   1970  O   PHE A 201     107.505  87.010 -18.866  1.00 13.28    -0.271 OA
-ATOM   1971  CB  PHE A 201     104.621  88.635 -18.292  1.00 14.28     0.073 C 
-ATOM   1972  CG  PHE A 201     104.772  87.766 -17.072  1.00 15.53    -0.056 A 
-ATOM   1973  CD1 PHE A 201     104.271  86.460 -17.062  1.00 15.61     0.007 A 
-ATOM   1974  CD2 PHE A 201     105.411  88.249 -15.931  1.00 15.86     0.007 A 
-ATOM   1975  CE1 PHE A 201     104.421  85.645 -15.952  1.00 16.12     0.001 A 
-ATOM   1976  CE2 PHE A 201     105.554  87.439 -14.812  1.00 16.23     0.001 A 
-ATOM   1977  CZ  PHE A 201     105.064  86.136 -14.817  1.00 16.42     0.000 A 
-ATOM   1978  N   ARG A 202     107.614  89.276 -18.810  1.00 12.21    -0.346 N 
-ATOM   1979  HN  ARG A 202     107.141  90.151 -19.035  1.00  0.00     0.163 HD
-ATOM   1980  CA  ARG A 202     108.958  89.314 -18.272  1.00 10.78     0.176 C 
-ATOM   1981  C   ARG A 202     109.177  90.487 -17.340  1.00 10.37     0.241 C 
-ATOM   1982  O   ARG A 202     108.383  91.423 -17.300  1.00  9.08    -0.271 OA
-ATOM   1983  CB  ARG A 202     109.953  89.400 -19.408  1.00 11.24     0.036 C 
-ATOM   1984  CG  ARG A 202     110.056  90.758 -20.053  1.00 10.75     0.023 C 
-ATOM   1985  CD  ARG A 202     111.159  90.797 -21.116  1.00 11.81     0.138 C 
-ATOM   1986  NE  ARG A 202     110.987  91.957 -21.971  1.00 12.11    -0.227 N 
-ATOM   1987  HE  ARG A 202     110.630  92.808 -21.537  1.00  0.00     0.177 HD
-ATOM   1988  CZ  ARG A 202     111.254  92.003 -23.265  1.00 13.89     0.665 C 
-ATOM   1989  NH1 ARG A 202     111.753  90.941 -23.908  1.00 13.22    -0.235 N 
-ATOM   1990 1HH1 ARG A 202     111.959  90.976 -24.906  1.00  0.00     0.174 HD
-ATOM   1991 2HH1 ARG A 202     111.913  90.065 -23.411  1.00  0.00     0.174 HD
-ATOM   1992  NH2 ARG A 202     111.046  93.140 -23.910  1.00 13.68    -0.235 N 
-ATOM   1993 1HH2 ARG A 202     111.252  93.175 -24.908  1.00  0.00     0.174 HD
-ATOM   1994 2HH2 ARG A 202     110.666  93.950 -23.420  1.00  0.00     0.174 HD
-ATOM   1995  N   LYS A 203     110.281  90.431 -16.609  1.00 10.22    -0.346 N 
-ATOM   1996  HN  LYS A 203     110.882  89.610 -16.683  1.00  0.00     0.163 HD
-ATOM   1997  CA  LYS A 203     110.659  91.498 -15.709  1.00 10.85     0.176 C 
-ATOM   1998  C   LYS A 203     111.206  92.647 -16.526  1.00 10.48     0.241 C 
-ATOM   1999  O   LYS A 203     111.949  92.427 -17.459  1.00  9.22    -0.271 OA
-ATOM   2000  CB  LYS A 203     111.756  91.014 -14.771  1.00 11.54     0.035 C 
-ATOM   2001  CG  LYS A 203     111.267  90.627 -13.394  1.00 15.05     0.004 C 
-ATOM   2002  CD  LYS A 203     112.463  90.334 -12.493  1.00 18.07     0.027 C 
-ATOM   2003  CE  LYS A 203     112.334  91.013 -11.124  1.00 23.42     0.229 C 
-ATOM   2004  NZ  LYS A 203     113.665  91.154 -10.433  1.00 23.81    -0.079 N 
-ATOM   2005  HZ1 LYS A 203     113.579  91.606  -9.522  1.00  0.00     0.274 HD
-ATOM   2006  HZ2 LYS A 203     114.339  91.640 -11.025  1.00  0.00     0.274 HD
-ATOM   2007  HZ3 LYS A 203     114.138  90.254 -10.356  1.00  0.00     0.274 HD
-ATOM   2008  N   LYS A 204     110.827  93.873 -16.191  1.00 11.04    -0.346 N 
-ATOM   2009  HN  LYS A 204     110.148  94.014 -15.443  1.00  0.00     0.163 HD
-ATOM   2010  CA  LYS A 204     111.386  95.013 -16.897  1.00 11.94     0.176 C 
-ATOM   2011  C   LYS A 204     112.856  95.086 -16.564  1.00 12.09     0.240 C 
-ATOM   2012  O   LYS A 204     113.313  94.447 -15.606  1.00 10.85    -0.271 OA
-ATOM   2013  CB  LYS A 204     110.709  96.320 -16.493  1.00 11.91     0.035 C 
-ATOM   2014  CG  LYS A 204     109.212  96.380 -16.795  1.00 13.78     0.004 C 
-ATOM   2015  CD  LYS A 204     108.806  97.855 -16.862  1.00 16.78     0.027 C 
-ATOM   2016  CE  LYS A 204     107.332  98.009 -17.003  1.00 16.93     0.229 C 
-ATOM   2017  NZ  LYS A 204     106.814  99.076 -16.088  1.00 20.44    -0.079 N 
-ATOM   2018  HZ1 LYS A 204     105.804  99.182 -16.185  1.00  0.00     0.274 HD
-ATOM   2019  HZ2 LYS A 204     107.300  99.962 -16.229  1.00  0.00     0.274 HD
-ATOM   2020  HZ3 LYS A 204     107.083  98.904 -15.119  1.00  0.00     0.274 HD
-ATOM   2021  N   GLY A 205     113.597  95.843 -17.368  1.00 12.85    -0.351 N 
-ATOM   2022  HN  GLY A 205     113.200  96.191 -18.241  1.00  0.00     0.163 HD
-ATOM   2023  CA  GLY A 205     114.966  96.180 -17.016  1.00 14.26     0.225 C 
-ATOM   2024  C   GLY A 205     114.924  96.670 -15.574  1.00 14.64     0.236 C 
-ATOM   2025  O   GLY A 205     114.045  97.459 -15.215  1.00 15.15    -0.272 OA
-ATOM   2026  N   ARG A 206     115.829  96.175 -14.741  1.00 14.72    -0.346 N 
-ATOM   2027  HN  ARG A 206     116.504  95.492 -15.084  1.00  0.00     0.163 HD
-ATOM   2028  CA  ARG A 206     115.878  96.588 -13.346  1.00 15.40     0.176 C 
-ATOM   2029  C   ARG A 206     116.187  98.093 -13.144  1.00 15.24     0.241 C 
-ATOM   2030  O   ARG A 206     115.893  98.635 -12.074  1.00 15.54    -0.271 OA
-ATOM   2031  CB  ARG A 206     116.874  95.723 -12.568  1.00 15.59     0.036 C 
-ATOM   2032  CG  ARG A 206     118.293  96.226 -12.625  1.00 16.60     0.023 C 
-ATOM   2033  CD  ARG A 206     119.332  95.166 -12.279  1.00 22.18     0.138 C 
-ATOM   2034  NE  ARG A 206     118.746  94.076 -11.513  1.00 23.48    -0.227 N 
-ATOM   2035  HE  ARG A 206     118.011  93.526 -11.958  1.00  0.00     0.177 HD
-ATOM   2036  CZ  ARG A 206     119.099  93.747 -10.279  1.00 24.87     0.665 C 
-ATOM   2037  NH1 ARG A 206     120.074  94.411  -9.658  1.00 22.02    -0.235 N 
-ATOM   2038 1HH1 ARG A 206     120.545  95.194 -10.112  1.00  0.00     0.174 HD
-ATOM   2039 2HH1 ARG A 206     120.346  94.158  -8.708  1.00  0.00     0.174 HD
-ATOM   2040  NH2 ARG A 206     118.481  92.719  -9.683  1.00 26.79    -0.235 N 
-ATOM   2041 1HH2 ARG A 206     117.735  92.211 -10.158  1.00  0.00     0.174 HD
-ATOM   2042 2HH2 ARG A 206     118.753  92.466  -8.733  1.00  0.00     0.174 HD
-ATOM   2043  N   SER A 207     116.746  98.757 -14.158  1.00 14.39    -0.346 N 
-ATOM   2044  HN  SER A 207     116.919  98.267 -15.036  1.00  0.00     0.163 HD
-ATOM   2045  CA  SER A 207     117.121 100.178 -14.045  1.00 14.37     0.169 C 
-ATOM   2046  C   SER A 207     116.100 101.140 -14.670  1.00 14.14     0.258 C 
-ATOM   2047  O   SER A 207     114.966 100.741 -14.981  1.00 15.15    -0.305 OA
-ATOM   2048  CB  SER A 207     118.499 100.409 -14.659  1.00 13.94     0.196 C 
-ATOM   2049  OG  SER A 207     118.430 100.195 -16.049  1.00 12.87    -0.398 OA
-ATOM   2050  HG  SER A 207     119.288 100.339 -16.431  1.00  0.00     0.209 HD
-TER    2051      SER A 207 
-ATOM   2051  N   GLU B   0      56.879  66.860 -16.552  1.00 22.86    -0.066 N 
-ATOM   2052  HN1 GLU B   0      56.902  66.478 -15.606  1.00  0.00     0.275 HD
-ATOM   2053  HN2 GLU B   0      56.675  66.136 -17.241  1.00  0.00     0.275 HD
-ATOM   2054  HN3 GLU B   0      56.060  67.450 -16.695  1.00  0.00     0.275 HD
-ATOM   2055  CA  GLU B   0      58.136  67.586 -16.883  1.00 22.89     0.275 C 
-ATOM   2056  C   GLU B   0      58.360  68.653 -15.810  1.00 22.57     0.249 C 
-ATOM   2057  O   GLU B   0      57.523  69.522 -15.586  1.00 22.15    -0.271 OA
-ATOM   2058  CB  GLU B   0      58.101  68.167 -18.322  1.00 23.16     0.053 C 
-ATOM   2059  CG  GLU B   0      59.272  69.078 -18.716  1.00 24.46     0.115 C 
-ATOM   2060  CD  GLU B   0      59.852  68.838 -20.127  1.00 26.82     0.172 C 
-ATOM   2061  OE1 GLU B   0      59.209  68.189 -21.000  1.00 25.65    -0.648 OA
-ATOM   2062  OE2 GLU B   0      60.991  69.318 -20.371  1.00 25.75    -0.648 OA
-ATOM   2063  N   PHE B   1      59.468  68.523 -15.098  1.00 22.55    -0.346 N 
-ATOM   2064  HN  PHE B   1      59.966  67.633 -15.098  1.00  0.00     0.163 HD
-ATOM   2065  CA  PHE B   1      59.980  69.625 -14.322  1.00 22.41     0.180 C 
-ATOM   2066  C   PHE B   1      61.124  70.199 -15.119  1.00 21.77     0.241 C 
-ATOM   2067  O   PHE B   1      61.924  69.454 -15.675  1.00 22.12    -0.271 OA
-ATOM   2068  CB  PHE B   1      60.559  69.172 -12.979  1.00 22.47     0.073 C 
-ATOM   2069  CG  PHE B   1      59.634  68.337 -12.165  1.00 24.62    -0.056 A 
-ATOM   2070  CD1 PHE B   1      58.483  68.885 -11.603  1.00 26.51     0.007 A 
-ATOM   2071  CD2 PHE B   1      59.919  66.997 -11.949  1.00 26.23     0.007 A 
-ATOM   2072  CE1 PHE B   1      57.607  68.108 -10.851  1.00 28.36     0.001 A 
-ATOM   2073  CE2 PHE B   1      59.068  66.195 -11.187  1.00 27.34     0.001 A 
-ATOM   2074  CZ  PHE B   1      57.906  66.747 -10.630  1.00 28.78     0.000 A 
-ATOM   2075  N   ASP B   2      61.228  71.513 -15.165  1.00 20.78    -0.345 N 
-ATOM   2076  HN  ASP B   2      60.459  72.102 -14.845  1.00  0.00     0.163 HD
-ATOM   2077  CA  ASP B   2      62.452  72.116 -15.677  1.00 20.19     0.186 C 
-ATOM   2078  C   ASP B   2      63.379  72.455 -14.500  1.00 19.22     0.241 C 
-ATOM   2079  O   ASP B   2      62.986  72.286 -13.328  1.00 18.66    -0.271 OA
-ATOM   2080  CB  ASP B   2      62.138  73.336 -16.558  1.00 20.48     0.147 C 
-ATOM   2081  CG  ASP B   2      61.445  74.463 -15.789  1.00 21.80     0.175 C 
-ATOM   2082  OD1 ASP B   2      61.507  74.520 -14.530  1.00 22.60    -0.648 OA
-ATOM   2083  OD2 ASP B   2      60.817  75.358 -16.368  1.00 23.84    -0.648 OA
-ATOM   2084  N   ARG B   3      64.599  72.909 -14.801  1.00 18.15    -0.346 N 
-ATOM   2085  HN  ARG B   3      64.857  73.037 -15.779  1.00  0.00     0.163 HD
-ATOM   2086  CA  ARG B   3      65.570  73.225 -13.758  1.00 17.57     0.176 C 
-ATOM   2087  C   ARG B   3      65.048  74.218 -12.723  1.00 16.94     0.241 C 
-ATOM   2088  O   ARG B   3      65.280  74.073 -11.518  1.00 17.17    -0.271 OA
-ATOM   2089  CB  ARG B   3      66.846  73.787 -14.359  1.00 17.93     0.036 C 
-ATOM   2090  CG  ARG B   3      67.863  72.749 -14.723  1.00 18.55     0.023 C 
-ATOM   2091  CD  ARG B   3      68.820  73.213 -15.825  1.00 19.21     0.138 C 
-ATOM   2092  NE  ARG B   3      69.689  72.110 -16.221  1.00 22.30    -0.227 N 
-ATOM   2093  HE  ARG B   3      70.427  71.839 -15.571  1.00  0.00     0.177 HD
-ATOM   2094  CZ  ARG B   3      69.598  71.428 -17.361  1.00 25.71     0.665 C 
-ATOM   2095  NH1 ARG B   3      68.674  71.728 -18.286  1.00 27.29    -0.235 N 
-ATOM   2096 1HH1 ARG B   3      68.018  72.489 -18.113  1.00  0.00     0.174 HD
-ATOM   2097 2HH1 ARG B   3      68.604  71.206 -19.159  1.00  0.00     0.174 HD
-ATOM   2098  NH2 ARG B   3      70.452  70.437 -17.586  1.00 26.05    -0.235 N 
-ATOM   2099 1HH2 ARG B   3      71.155  70.209 -16.883  1.00  0.00     0.174 HD
-ATOM   2100 2HH2 ARG B   3      70.382  69.915 -18.459  1.00  0.00     0.174 HD
-ATOM   2101  N   ALA B   4      64.328  75.227 -13.179  1.00 16.05    -0.346 N 
-ATOM   2102  HN  ALA B   4      64.201  75.343 -14.184  1.00  0.00     0.163 HD
-ATOM   2103  CA  ALA B   4      63.714  76.174 -12.261  1.00 15.66     0.172 C 
-ATOM   2104  C   ALA B   4      62.792  75.511 -11.246  1.00 15.31     0.240 C 
-ATOM   2105  O   ALA B   4      62.877  75.838 -10.075  1.00 15.01    -0.271 OA
-ATOM   2106  CB  ALA B   4      62.985  77.294 -13.038  1.00 15.48     0.042 C 
-ATOM   2107  N   ASP B   5      61.935  74.591 -11.696  1.00 15.41    -0.346 N 
-ATOM   2108  HN  ASP B   5      61.913  74.406 -12.699  1.00  0.00     0.163 HD
-ATOM   2109  CA  ASP B   5      61.021  73.829 -10.832  1.00 16.21     0.186 C 
-ATOM   2110  C   ASP B   5      61.759  72.963  -9.855  1.00 15.39     0.241 C 
-ATOM   2111  O   ASP B   5      61.436  72.995  -8.673  1.00 15.53    -0.271 OA
-ATOM   2112  CB  ASP B   5      60.083  72.940 -11.641  1.00 17.01     0.147 C 
-ATOM   2113  CG  ASP B   5      59.186  73.729 -12.561  1.00 20.65     0.175 C 
-ATOM   2114  OD1 ASP B   5      58.886  74.892 -12.214  1.00 24.16    -0.648 OA
-ATOM   2115  OD2 ASP B   5      58.728  73.279 -13.653  1.00 25.02    -0.648 OA
-ATOM   2116  N   ILE B   6      62.752  72.209 -10.343  1.00 14.97    -0.346 N 
-ATOM   2117  HN  ILE B   6      62.933  72.216 -11.347  1.00  0.00     0.163 HD
-ATOM   2118  CA  ILE B   6      63.594  71.365  -9.466  1.00 14.36     0.180 C 
-ATOM   2119  C   ILE B   6      64.207  72.215  -8.349  1.00 14.07     0.241 C 
-ATOM   2120  O   ILE B   6      64.065  71.914  -7.186  1.00 13.58    -0.271 OA
-ATOM   2121  CB  ILE B   6      64.677  70.581 -10.289  1.00 14.07     0.013 C 
-ATOM   2122  CG1 ILE B   6      64.001  69.590 -11.245  1.00 13.88     0.002 C 
-ATOM   2123  CG2 ILE B   6      65.595  69.777  -9.381  1.00 13.51     0.012 C 
-ATOM   2124  CD1 ILE B   6      64.888  69.180 -12.435  1.00 12.57     0.005 C 
-ATOM   2125  N   LEU B   7      64.851  73.306  -8.717  1.00 14.35    -0.346 N 
-ATOM   2126  HN  LEU B   7      64.853  73.574  -9.701  1.00  0.00     0.163 HD
-ATOM   2127  CA  LEU B   7      65.555  74.133  -7.760  1.00 15.43     0.177 C 
-ATOM   2128  C   LEU B   7      64.628  74.869  -6.806  1.00 15.39     0.241 C 
-ATOM   2129  O   LEU B   7      64.961  75.039  -5.636  1.00 14.87    -0.271 OA
-ATOM   2130  CB  LEU B   7      66.528  75.112  -8.460  1.00 15.85     0.038 C 
-ATOM   2131  CG  LEU B   7      67.723  74.389  -9.093  1.00 17.19    -0.020 C 
-ATOM   2132  CD1 LEU B   7      68.228  75.176 -10.298  1.00 18.69     0.009 C 
-ATOM   2133  CD2 LEU B   7      68.836  74.178  -8.080  1.00 18.82     0.009 C 
-ATOM   2134  N   TYR B   8      63.453  75.251  -7.298  1.00 15.77    -0.346 N 
-ATOM   2135  HN  TYR B   8      63.278  75.141  -8.297  1.00  0.00     0.163 HD
-ATOM   2136  CA  TYR B   8      62.403  75.823  -6.457  1.00 16.69     0.180 C 
-ATOM   2137  C   TYR B   8      61.975  74.817  -5.389  1.00 16.26     0.241 C 
-ATOM   2138  O   TYR B   8      61.970  75.143  -4.201  1.00 15.81    -0.271 OA
-ATOM   2139  CB  TYR B   8      61.202  76.258  -7.331  1.00 17.31     0.073 C 
-ATOM   2140  CG  TYR B   8      60.027  76.843  -6.572  1.00 20.86    -0.056 A 
-ATOM   2141  CD1 TYR B   8      60.105  78.107  -5.961  1.00 24.50     0.010 A 
-ATOM   2142  CD2 TYR B   8      58.831  76.136  -6.466  1.00 23.34     0.010 A 
-ATOM   2143  CE1 TYR B   8      59.019  78.644  -5.247  1.00 26.34     0.037 A 
-ATOM   2144  CE2 TYR B   8      57.728  76.663  -5.761  1.00 25.69     0.037 A 
-ATOM   2145  CZ  TYR B   8      57.833  77.912  -5.153  1.00 27.08     0.065 A 
-ATOM   2146  OH  TYR B   8      56.749  78.438  -4.478  1.00 28.57    -0.361 OA
-ATOM   2147  HH  TYR B   8      55.942  77.940  -4.414  1.00  0.00     0.217 HD
-ATOM   2148  N   ASN B   9      61.647  73.596  -5.817  1.00 16.04    -0.346 N 
-ATOM   2149  HN  ASN B   9      61.735  73.383  -6.811  1.00  0.00     0.163 HD
-ATOM   2150  CA  ASN B   9      61.167  72.553  -4.913  1.00 16.18     0.185 C 
-ATOM   2151  C   ASN B   9      62.212  72.188  -3.841  1.00 15.86     0.241 C 
-ATOM   2152  O   ASN B   9      61.883  72.103  -2.670  1.00 15.27    -0.271 OA
-ATOM   2153  CB  ASN B   9      60.696  71.326  -5.707  1.00 16.40     0.137 C 
-ATOM   2154  CG  ASN B   9      59.418  71.600  -6.509  1.00 18.13     0.217 C 
-ATOM   2155  ND2 ASN B   9      59.109  70.734  -7.454  1.00 17.74    -0.370 N 
-ATOM   2156 1HD2 ASN B   9      58.259  70.916  -7.987  1.00  0.00     0.159 HD
-ATOM   2157 2HD2 ASN B   9      59.677  69.907  -7.638  1.00  0.00     0.159 HD
-ATOM   2158  OD1 ASN B   9      58.734  72.596  -6.288  1.00 19.54    -0.274 OA
-ATOM   2159  N   ILE B  10      63.477  72.045  -4.243  1.00 16.30    -0.346 N 
-ATOM   2160  HN  ILE B  10      63.689  72.090  -5.240  1.00  0.00     0.163 HD
-ATOM   2161  CA  ILE B  10      64.562  71.826  -3.297  1.00 15.92     0.180 C 
-ATOM   2162  C   ILE B  10      64.677  72.993  -2.293  1.00 16.92     0.241 C 
-ATOM   2163  O   ILE B  10      64.716  72.792  -1.074  1.00 15.57    -0.271 OA
-ATOM   2164  CB  ILE B  10      65.906  71.631  -4.056  1.00 16.30     0.013 C 
-ATOM   2165  CG1 ILE B  10      65.893  70.286  -4.818  1.00 14.86     0.002 C 
-ATOM   2166  CG2 ILE B  10      67.110  71.750  -3.087  1.00 15.11     0.012 C 
-ATOM   2167  CD1 ILE B  10      67.127  70.058  -5.656  1.00 13.48     0.005 C 
-ATOM   2168  N   ARG B  11      64.781  74.202  -2.820  1.00 17.51    -0.346 N 
-ATOM   2169  HN  ARG B  11      64.759  74.314  -3.834  1.00  0.00     0.163 HD
-ATOM   2170  CA  ARG B  11      64.926  75.372  -1.971  1.00 19.36     0.176 C 
-ATOM   2171  C   ARG B  11      63.748  75.535  -1.000  1.00 18.54     0.241 C 
-ATOM   2172  O   ARG B  11      63.959  75.742   0.179  1.00 18.37    -0.271 OA
-ATOM   2173  CB  ARG B  11      65.082  76.611  -2.845  1.00 18.78     0.036 C 
-ATOM   2174  CG  ARG B  11      65.252  77.889  -2.062  1.00 25.02     0.023 C 
-ATOM   2175  CD  ARG B  11      65.007  79.139  -2.887  1.00 31.15     0.138 C 
-ATOM   2176  NE  ARG B  11      65.511  79.010  -4.260  1.00 33.98    -0.227 N 
-ATOM   2177  HE  ARG B  11      66.490  78.754  -4.386  1.00  0.00     0.177 HD
-ATOM   2178  CZ  ARG B  11      64.769  79.206  -5.357  1.00 33.15     0.665 C 
-ATOM   2179  NH1 ARG B  11      63.476  79.525  -5.237  1.00 32.83    -0.235 N 
-ATOM   2180 1HH1 ARG B  11      63.054  79.624  -4.314  1.00  0.00     0.174 HD
-ATOM   2181 2HH1 ARG B  11      62.911  79.674  -6.073  1.00  0.00     0.174 HD
-ATOM   2182  NH2 ARG B  11      65.323  79.076  -6.570  1.00 31.25    -0.235 N 
-ATOM   2183 1HH2 ARG B  11      66.309  78.833  -6.662  1.00  0.00     0.174 HD
-ATOM   2184 2HH2 ARG B  11      64.758  79.225  -7.406  1.00  0.00     0.174 HD
-ATOM   2185  N   GLN B  12      62.517  75.398  -1.496  1.00 19.97    -0.346 N 
-ATOM   2186  HN  GLN B  12      62.400  75.129  -2.473  1.00  0.00     0.163 HD
-ATOM   2187  CA  GLN B  12      61.322  75.626  -0.664  1.00 20.71     0.177 C 
-ATOM   2188  C   GLN B  12      61.130  74.593   0.405  1.00 20.86     0.241 C 
-ATOM   2189  O   GLN B  12      60.514  74.884   1.429  1.00 21.99    -0.271 OA
-ATOM   2190  CB  GLN B  12      60.056  75.700  -1.510  1.00 21.04     0.044 C 
-ATOM   2191  CG  GLN B  12      60.025  76.906  -2.457  1.00 23.44     0.105 C 
-ATOM   2192  CD  GLN B  12      60.012  78.255  -1.738  1.00 26.84     0.215 C 
-ATOM   2193  NE2 GLN B  12      60.904  79.153  -2.134  1.00 27.52    -0.370 N 
-ATOM   2194 1HE2 GLN B  12      60.895  80.053  -1.654  1.00  0.00     0.159 HD
-ATOM   2195 2HE2 GLN B  12      61.588  78.966  -2.868  1.00  0.00     0.159 HD
-ATOM   2196  OE1 GLN B  12      59.189  78.480  -0.855  1.00 29.24    -0.274 OA
-ATOM   2197  N   THR B  13      61.660  73.395   0.202  1.00 20.14    -0.344 N 
-ATOM   2198  HN  THR B  13      62.232  73.228  -0.626  1.00  0.00     0.163 HD
-ATOM   2199  CA  THR B  13      61.429  72.302   1.165  1.00 20.66     0.205 C 
-ATOM   2200  C   THR B  13      62.687  71.922   1.869  1.00 21.92     0.243 C 
-ATOM   2201  O   THR B  13      62.671  71.010   2.698  1.00 22.92    -0.271 OA
-ATOM   2202  CB  THR B  13      60.832  71.037   0.477  1.00 19.92     0.146 C 
-ATOM   2203  CG2 THR B  13      59.574  71.422  -0.323  1.00 17.04     0.042 C 
-ATOM   2204  OG1 THR B  13      61.745  70.552  -0.524  1.00 20.09    -0.393 OA
-ATOM   2205  HG1 THR B  13      62.521  70.314  -0.030  1.00  0.00     0.210 HD
-ATOM   2206  N   SER B  14      63.775  72.634   1.558  1.00 22.51    -0.344 N 
-ATOM   2207  HN  SER B  14      63.675  73.454   0.959  1.00  0.00     0.163 HD
-ATOM   2208  CA  SER B  14      65.113  72.270   2.054  1.00 22.69     0.200 C 
-ATOM   2209  C   SER B  14      65.156  72.402   3.566  1.00 22.41     0.243 C 
-ATOM   2210  O   SER B  14      64.597  73.385   4.131  1.00 22.36    -0.271 OA
-ATOM   2211  CB  SER B  14      66.174  73.212   1.467  1.00 23.13     0.199 C 
-ATOM   2212  OG  SER B  14      66.013  74.549   1.962  1.00 23.29    -0.398 OA
-ATOM   2213  HG  SER B  14      66.669  75.132   1.599  1.00  0.00     0.209 HD
-ATOM   2214  N   ARG B  15      65.781  71.414   4.215  1.00 21.01    -0.346 N 
-ATOM   2215  HN  ARG B  15      66.127  70.610   3.692  1.00  0.00     0.163 HD
-ATOM   2216  CA  ARG B  15      65.975  71.468   5.652  1.00 19.92     0.176 C 
-ATOM   2217  C   ARG B  15      67.437  71.199   5.898  1.00 19.99     0.243 C 
-ATOM   2218  O   ARG B  15      67.813  70.120   6.322  1.00 19.11    -0.271 OA
-ATOM   2219  CB  ARG B  15      65.080  70.459   6.372  1.00 20.57     0.036 C 
-ATOM   2220  CG  ARG B  15      63.570  70.823   6.328  1.00 18.78     0.023 C 
-ATOM   2221  CD  ARG B  15      63.169  71.916   7.339  1.00 23.58     0.138 C 
-ATOM   2222  NE  ARG B  15      63.732  71.666   8.678  1.00 24.28    -0.227 N 
-ATOM   2223  HE  ARG B  15      64.627  72.099   8.907  1.00  0.00     0.177 HD
-ATOM   2224  CZ  ARG B  15      63.145  70.906   9.615  1.00 20.05     0.665 C 
-ATOM   2225  NH1 ARG B  15      61.970  70.330   9.390  1.00 18.90    -0.235 N 
-ATOM   2226 1HH1 ARG B  15      61.524  69.752  10.102  1.00  0.00     0.174 HD
-ATOM   2227 2HH1 ARG B  15      61.521  70.446   8.482  1.00  0.00     0.174 HD
-ATOM   2228  NH2 ARG B  15      63.726  70.756  10.790  1.00 16.56    -0.235 N 
-ATOM   2229 1HH2 ARG B  15      63.280  70.178  11.502  1.00  0.00     0.174 HD
-ATOM   2230 2HH2 ARG B  15      64.629  71.198  10.963  1.00  0.00     0.174 HD
-ATOM   2231  N   PRO B  16      68.263  72.222   5.683  1.00 19.76    -0.337 N 
-ATOM   2232  CA  PRO B  16      69.720  72.040   5.697  1.00 19.34     0.179 C 
-ATOM   2233  C   PRO B  16      70.223  71.664   7.070  1.00 18.70     0.241 C 
-ATOM   2234  O   PRO B  16      71.346  71.186   7.187  1.00 18.32    -0.271 OA
-ATOM   2235  CB  PRO B  16      70.256  73.414   5.285  1.00 19.24     0.037 C 
-ATOM   2236  CG  PRO B  16      69.026  74.141   4.718  1.00 20.57     0.022 C 
-ATOM   2237  CD  PRO B  16      67.868  73.632   5.498  1.00 19.22     0.127 C 
-ATOM   2238  N   ASP B  17      69.396  71.887   8.090  1.00 17.94    -0.346 N 
-ATOM   2239  HN  ASP B  17      68.488  72.312   7.902  1.00  0.00     0.163 HD
-ATOM   2240  CA  ASP B  17      69.740  71.547   9.460  1.00 17.95     0.186 C 
-ATOM   2241  C   ASP B  17      69.519  70.036   9.758  1.00 16.63     0.241 C 
-ATOM   2242  O   ASP B  17      69.867  69.561  10.834  1.00 13.35    -0.271 OA
-ATOM   2243  CB  ASP B  17      68.888  72.409  10.422  1.00 19.22     0.147 C 
-ATOM   2244  CG  ASP B  17      67.358  72.461  10.008  1.00 25.25     0.175 C 
-ATOM   2245  OD1 ASP B  17      67.006  72.668   8.787  1.00 25.16    -0.648 OA
-ATOM   2246  OD2 ASP B  17      66.432  72.342  10.875  1.00 31.65    -0.648 OA
-ATOM   2247  N   VAL B  18      68.895  69.307   8.846  1.00 16.55    -0.346 N 
-ATOM   2248  HN  VAL B  18      68.749  69.673   7.905  1.00  0.00     0.163 HD
-ATOM   2249  CA  VAL B  18      68.416  67.967   9.203  1.00 16.69     0.180 C 
-ATOM   2250  C   VAL B  18      69.222  66.885   8.512  1.00 16.87     0.241 C 
-ATOM   2251  O   VAL B  18      69.121  66.706   7.300  1.00 16.48    -0.271 OA
-ATOM   2252  CB  VAL B  18      66.907  67.784   8.887  1.00 17.01     0.009 C 
-ATOM   2253  CG1 VAL B  18      66.433  66.340   9.243  1.00 16.55     0.012 C 
-ATOM   2254  CG2 VAL B  18      66.072  68.815   9.647  1.00 15.42     0.012 C 
-ATOM   2255  N   ILE B  19      70.016  66.156   9.281  1.00 17.14    -0.346 N 
-ATOM   2256  HN  ILE B  19      70.102  66.386  10.271  1.00  0.00     0.163 HD
-ATOM   2257  CA  ILE B  19      70.776  65.021   8.734  1.00 17.93     0.180 C 
-ATOM   2258  C   ILE B  19      69.825  63.993   8.045  1.00 18.73     0.243 C 
-ATOM   2259  O   ILE B  19      68.851  63.576   8.638  1.00 18.66    -0.271 OA
-ATOM   2260  CB  ILE B  19      71.664  64.398   9.841  1.00 17.70     0.013 C 
-ATOM   2261  CG1 ILE B  19      72.534  63.266   9.282  1.00 17.23     0.002 C 
-ATOM   2262  CG2 ILE B  19      70.830  63.945  11.053  1.00 16.71     0.012 C 
-ATOM   2263  CD1 ILE B  19      73.581  62.801  10.265  1.00 15.65     0.005 C 
-ATOM   2264  N   PRO B  20      70.072  63.643   6.781  1.00 19.69    -0.337 N 
-ATOM   2265  CA  PRO B  20      69.137  62.825   6.006  1.00 21.04     0.179 C 
-ATOM   2266  C   PRO B  20      69.248  61.359   6.343  1.00 22.66     0.241 C 
-ATOM   2267  O   PRO B  20      69.478  60.514   5.454  1.00 22.47    -0.271 OA
-ATOM   2268  CB  PRO B  20      69.592  63.040   4.563  1.00 20.70     0.037 C 
-ATOM   2269  CG  PRO B  20      71.060  63.323   4.672  1.00 20.33     0.022 C 
-ATOM   2270  CD  PRO B  20      71.231  64.050   5.967  1.00 20.27     0.127 C 
-ATOM   2271  N   THR B  21      69.101  61.085   7.629  1.00 24.63    -0.344 N 
-ATOM   2272  HN  THR B  21      68.974  61.860   8.279  1.00  0.00     0.163 HD
-ATOM   2273  CA  THR B  21      69.112  59.734   8.158  1.00 27.42     0.205 C 
-ATOM   2274  C   THR B  21      67.944  58.932   7.531  1.00 28.61     0.243 C 
-ATOM   2275  O   THR B  21      66.787  59.379   7.533  1.00 29.04    -0.271 OA
-ATOM   2276  CB  THR B  21      69.124  59.822   9.705  1.00 27.08     0.146 C 
-ATOM   2277  CG2 THR B  21      68.237  58.844  10.348  1.00 28.73     0.042 C 
-ATOM   2278  OG1 THR B  21      70.444  59.482  10.181  1.00 28.67    -0.393 OA
-ATOM   2279  HG1 THR B  21      70.451  59.536  11.129  1.00  0.00     0.210 HD
-ATOM   2280  N   GLN B  22      68.322  57.831   6.876  1.00 29.66    -0.346 N 
-ATOM   2281  HN  GLN B  22      69.323  57.640   6.831  1.00  0.00     0.163 HD
-ATOM   2282  CA  GLN B  22      67.429  56.868   6.213  1.00 31.47     0.177 C 
-ATOM   2283  C   GLN B  22      67.106  55.693   7.156  1.00 32.27     0.241 C 
-ATOM   2284  O   GLN B  22      67.903  54.786   7.326  1.00 31.60    -0.271 OA
-ATOM   2285  CB  GLN B  22      68.087  56.297   4.936  1.00 31.39     0.044 C 
-ATOM   2286  CG  GLN B  22      67.899  57.104   3.644  1.00 31.30     0.105 C 
-ATOM   2287  CD  GLN B  22      68.565  56.442   2.416  1.00 33.77     0.215 C 
-ATOM   2288  NE2 GLN B  22      69.661  57.042   1.933  1.00 30.42    -0.370 N 
-ATOM   2289 1HE2 GLN B  22      70.051  57.891   2.342  1.00  0.00     0.159 HD
-ATOM   2290 2HE2 GLN B  22      70.100  56.605   1.123  1.00  0.00     0.159 HD
-ATOM   2291  OE1 GLN B  22      68.088  55.404   1.916  1.00 31.59    -0.274 OA
-ATOM   2292  N   ARG B  23      65.926  55.729   7.764  1.00 34.33    -0.346 N 
-ATOM   2293  HN  ARG B  23      65.303  56.512   7.565  1.00  0.00     0.163 HD
-ATOM   2294  CA  ARG B  23      65.468  54.693   8.715  1.00 35.24     0.176 C 
-ATOM   2295  C   ARG B  23      66.478  54.392   9.868  1.00 35.37     0.241 C 
-ATOM   2296  O   ARG B  23      66.823  55.325  10.630  1.00 35.71    -0.271 OA
-ATOM   2297  CB  ARG B  23      64.925  53.454   7.959  1.00 35.99     0.036 C 
-ATOM   2298  CG  ARG B  23      63.497  53.729   7.337  1.00 39.26     0.023 C 
-ATOM   2299  CD  ARG B  23      62.995  52.811   6.153  1.00 42.20     0.138 C 
-ATOM   2300  NE  ARG B  23      63.332  53.283   4.788  1.00 43.26    -0.227 N 
-ATOM   2301  HE  ARG B  23      63.463  52.566   4.074  1.00  0.00     0.177 HD
-ATOM   2302  CZ  ARG B  23      63.483  54.563   4.396  1.00 43.75     0.665 C 
-ATOM   2303  NH1 ARG B  23      63.337  55.574   5.254  1.00 41.81    -0.235 N 
-ATOM   2304 1HH1 ARG B  23      63.097  55.369   6.224  1.00  0.00     0.174 HD
-ATOM   2305 2HH1 ARG B  23      63.451  56.543   4.957  1.00  0.00     0.174 HD
-ATOM   2306  NH2 ARG B  23      63.797  54.831   3.126  1.00 43.59    -0.235 N 
-ATOM   2307 1HH2 ARG B  23      63.909  54.058   2.470  1.00  0.00     0.174 HD
-ATOM   2308 2HH2 ARG B  23      63.911  55.800   2.829  1.00  0.00     0.174 HD
-ATOM   2309  N   ASP B  24      66.952  53.145  10.010  1.00 34.52    -0.346 N 
-ATOM   2310  HN  ASP B  24      66.681  52.423   9.342  1.00  0.00     0.163 HD
-ATOM   2311  CA  ASP B  24      67.865  52.806  11.127  1.00 34.41     0.186 C 
-ATOM   2312  C   ASP B  24      69.412  53.046  10.927  1.00 33.19     0.241 C 
-ATOM   2313  O   ASP B  24      70.249  52.358  11.557  1.00 33.62    -0.271 OA
-ATOM   2314  CB  ASP B  24      67.621  51.357  11.564  1.00 35.43     0.147 C 
-ATOM   2315  CG  ASP B  24      67.431  51.227  13.083  1.00 38.45     0.175 C 
-ATOM   2316  OD1 ASP B  24      68.150  51.957  13.822  1.00 40.54    -0.648 OA
-ATOM   2317  OD2 ASP B  24      66.600  50.436  13.620  1.00 39.01    -0.648 OA
-ATOM   2318  N   ARG B  25      69.787  54.014  10.089  1.00 29.60    -0.346 N 
-ATOM   2319  HN  ARG B  25      69.155  54.790   9.891  1.00  0.00     0.163 HD
-ATOM   2320  CA  ARG B  25      71.101  53.963   9.456  1.00 27.39     0.176 C 
-ATOM   2321  C   ARG B  25      71.867  55.263   9.536  1.00 24.61     0.243 C 
-ATOM   2322  O   ARG B  25      71.275  56.331   9.448  1.00 23.03    -0.271 OA
-ATOM   2323  CB  ARG B  25      70.953  53.623   7.968  1.00 28.44     0.036 C 
-ATOM   2324  CG  ARG B  25      71.254  52.197   7.593  1.00 30.36     0.023 C 
-ATOM   2325  CD  ARG B  25      70.453  51.713   6.407  1.00 33.97     0.138 C 
-ATOM   2326  NE  ARG B  25      69.271  51.034   6.906  1.00 36.33    -0.227 N 
-ATOM   2327  HE  ARG B  25      68.780  51.465   7.689  1.00  0.00     0.177 HD
-ATOM   2328  CZ  ARG B  25      68.774  49.896   6.427  1.00 36.87     0.665 C 
-ATOM   2329  NH1 ARG B  25      69.342  49.288   5.394  1.00 37.28    -0.235 N 
-ATOM   2330 1HH1 ARG B  25      70.180  49.687   4.970  1.00  0.00     0.174 HD
-ATOM   2331 2HH1 ARG B  25      68.961  48.416   5.027  1.00  0.00     0.174 HD
-ATOM   2332  NH2 ARG B  25      67.686  49.378   6.978  1.00 34.32    -0.235 N 
-ATOM   2333 1HH2 ARG B  25      67.249  49.846   7.772  1.00  0.00     0.174 HD
-ATOM   2334 2HH2 ARG B  25      67.305  48.506   6.611  1.00  0.00     0.174 HD
-ATOM   2335  N   PRO B  26      73.187  55.156   9.688  1.00 22.54    -0.337 N 
-ATOM   2336  CA  PRO B  26      74.068  56.329   9.515  1.00 20.81     0.179 C 
-ATOM   2337  C   PRO B  26      74.069  56.764   8.062  1.00 19.57     0.241 C 
-ATOM   2338  O   PRO B  26      73.995  55.922   7.169  1.00 18.89    -0.271 OA
-ATOM   2339  CB  PRO B  26      75.454  55.810   9.885  1.00 20.83     0.037 C 
-ATOM   2340  CG  PRO B  26      75.342  54.259   9.801  1.00 21.26     0.022 C 
-ATOM   2341  CD  PRO B  26      73.922  53.917  10.051  1.00 22.00     0.127 C 
-ATOM   2342  N   VAL B  27      74.143  58.068   7.826  1.00 18.26    -0.346 N 
-ATOM   2343  HN  VAL B  27      74.003  58.719   8.599  1.00  0.00     0.163 HD
-ATOM   2344  CA  VAL B  27      74.419  58.601   6.492  1.00 17.32     0.180 C 
-ATOM   2345  C   VAL B  27      75.848  58.231   6.101  1.00 16.85     0.241 C 
-ATOM   2346  O   VAL B  27      76.807  58.618   6.779  1.00 16.54    -0.271 OA
-ATOM   2347  CB  VAL B  27      74.318  60.147   6.476  1.00 17.62     0.009 C 
-ATOM   2348  CG1 VAL B  27      74.732  60.695   5.096  1.00 17.11     0.012 C 
-ATOM   2349  CG2 VAL B  27      72.928  60.624   6.904  1.00 17.25     0.012 C 
-ATOM   2350  N   ALA B  28      75.982  57.466   5.022  1.00 16.18    -0.346 N 
-ATOM   2351  HN  ALA B  28      75.144  57.165   4.525  1.00  0.00     0.163 HD
-ATOM   2352  CA  ALA B  28      77.288  57.041   4.523  1.00 15.73     0.172 C 
-ATOM   2353  C   ALA B  28      77.904  58.164   3.710  1.00 15.51     0.240 C 
-ATOM   2354  O   ALA B  28      77.421  58.498   2.621  1.00 14.90    -0.271 OA
-ATOM   2355  CB  ALA B  28      77.145  55.791   3.683  1.00 15.23     0.042 C 
-ATOM   2356  N   VAL B  29      78.987  58.725   4.226  1.00 15.38    -0.346 N 
-ATOM   2357  HN  VAL B  29      79.363  58.370   5.105  1.00  0.00     0.163 HD
-ATOM   2358  CA  VAL B  29      79.650  59.836   3.565  1.00 15.92     0.180 C 
-ATOM   2359  C   VAL B  29      80.981  59.333   3.016  1.00 16.86     0.241 C 
-ATOM   2360  O   VAL B  29      81.706  58.649   3.719  1.00 16.39    -0.271 OA
-ATOM   2361  CB  VAL B  29      79.890  61.045   4.572  1.00 15.79     0.009 C 
-ATOM   2362  CG1 VAL B  29      80.657  62.153   3.922  1.00 14.22     0.012 C 
-ATOM   2363  CG2 VAL B  29      78.567  61.539   5.159  1.00 14.83     0.012 C 
-ATOM   2364  N   SER B  30      81.284  59.651   1.754  1.00 17.51    -0.344 N 
-ATOM   2365  HN  SER B  30      80.602  60.150   1.182  1.00  0.00     0.163 HD
-ATOM   2366  CA  SER B  30      82.584  59.291   1.182  1.00 18.94     0.200 C 
-ATOM   2367  C   SER B  30      83.376  60.542   1.020  1.00 19.22     0.243 C 
-ATOM   2368  O   SER B  30      82.814  61.575   0.612  1.00 19.33    -0.271 OA
-ATOM   2369  CB  SER B  30      82.488  58.584  -0.182  1.00 18.46     0.199 C 
-ATOM   2370  OG  SER B  30      81.667  57.444  -0.097  1.00 20.79    -0.398 OA
-ATOM   2371  HG  SER B  30      81.608  57.008  -0.939  1.00  0.00     0.209 HD
-ATOM   2372  N   VAL B  31      84.653  60.452   1.396  1.00 19.55    -0.346 N 
-ATOM   2373  HN  VAL B  31      84.993  59.554   1.741  1.00  0.00     0.163 HD
-ATOM   2374  CA  VAL B  31      85.588  61.569   1.339  1.00 20.58     0.180 C 
-ATOM   2375  C   VAL B  31      86.850  61.129   0.657  1.00 20.87     0.241 C 
-ATOM   2376  O   VAL B  31      87.339  59.993   0.826  1.00 20.89    -0.271 OA
-ATOM   2377  CB  VAL B  31      85.997  62.172   2.715  1.00 21.34     0.009 C 
-ATOM   2378  CG1 VAL B  31      86.415  63.719   2.541  1.00 20.70     0.012 C 
-ATOM   2379  CG2 VAL B  31      84.894  62.018   3.736  1.00 22.30     0.012 C 
-ATOM   2380  N   SER B  32      87.397  62.051  -0.111  1.00 21.26    -0.344 N 
-ATOM   2381  HN  SER B  32      86.933  62.954  -0.204  1.00  0.00     0.163 HD
-ATOM   2382  CA  SER B  32      88.641  61.822  -0.830  1.00 22.55     0.200 C 
-ATOM   2383  C   SER B  32      89.284  63.206  -1.080  1.00 22.36     0.243 C 
-ATOM   2384  O   SER B  32      88.595  64.167  -1.441  1.00 22.48    -0.271 OA
-ATOM   2385  CB  SER B  32      88.315  61.082  -2.116  1.00 22.64     0.199 C 
-ATOM   2386  OG  SER B  32      89.406  61.049  -2.987  1.00 27.25    -0.398 OA
-ATOM   2387  HG  SER B  32      89.202  60.586  -3.791  1.00  0.00     0.209 HD
-ATOM   2388  N   LEU B  33      90.577  63.325  -0.804  1.00 21.91    -0.346 N 
-ATOM   2389  HN  LEU B  33      91.083  62.515  -0.446  1.00  0.00     0.163 HD
-ATOM   2390  CA  LEU B  33      91.290  64.568  -0.996  1.00 21.43     0.177 C 
-ATOM   2391  C   LEU B  33      92.139  64.467  -2.242  1.00 21.44     0.241 C 
-ATOM   2392  O   LEU B  33      92.974  63.578  -2.350  1.00 21.63    -0.271 OA
-ATOM   2393  CB  LEU B  33      92.175  64.880   0.204  1.00 21.07     0.038 C 
-ATOM   2394  CG  LEU B  33      91.551  64.925   1.608  1.00 21.12    -0.020 C 
-ATOM   2395  CD1 LEU B  33      92.515  65.504   2.618  1.00 19.18     0.009 C 
-ATOM   2396  CD2 LEU B  33      90.227  65.713   1.614  1.00 20.76     0.009 C 
-ATOM   2397  N   LYS B  34      91.909  65.353  -3.198  1.00 20.94    -0.346 N 
-ATOM   2398  HN  LYS B  34      91.157  66.033  -3.083  1.00  0.00     0.163 HD
-ATOM   2399  CA  LYS B  34      92.717  65.372  -4.418  1.00 20.38     0.176 C 
-ATOM   2400  C   LYS B  34      93.661  66.544  -4.266  1.00 19.60     0.241 C 
-ATOM   2401  O   LYS B  34      93.243  67.693  -4.299  1.00 19.07    -0.271 OA
-ATOM   2402  CB  LYS B  34      91.872  65.560  -5.674  1.00 20.96     0.035 C 
-ATOM   2403  CG  LYS B  34      90.626  64.689  -5.751  1.00 23.59     0.004 C 
-ATOM   2404  CD  LYS B  34      90.968  63.247  -6.168  1.00 27.48     0.027 C 
-ATOM   2405  CE  LYS B  34      89.737  62.354  -5.913  1.00 30.72     0.229 C 
-ATOM   2406  NZ  LYS B  34      90.050  60.895  -6.009  1.00 33.66    -0.079 N 
-ATOM   2407  HZ1 LYS B  34      89.236  60.304  -5.840  1.00  0.00     0.274 HD
-ATOM   2408  HZ2 LYS B  34      90.818  60.644  -5.387  1.00  0.00     0.274 HD
-ATOM   2409  HZ3 LYS B  34      90.483  60.672  -6.905  1.00  0.00     0.274 HD
-ATOM   2410  N   PHE B  35      94.937  66.242  -4.087  1.00 18.31    -0.346 N 
-ATOM   2411  HN  PHE B  35      95.233  65.268  -4.147  1.00  0.00     0.163 HD
-ATOM   2412  CA  PHE B  35      95.916  67.262  -3.809  1.00 17.38     0.180 C 
-ATOM   2413  C   PHE B  35      96.317  67.989  -5.059  1.00 16.66     0.241 C 
-ATOM   2414  O   PHE B  35      96.636  67.379  -6.052  1.00 16.34    -0.271 OA
-ATOM   2415  CB  PHE B  35      97.120  66.643  -3.084  1.00 17.22     0.073 C 
-ATOM   2416  CG  PHE B  35      96.787  66.177  -1.688  1.00 17.28    -0.056 A 
-ATOM   2417  CD1 PHE B  35      96.733  67.073  -0.653  1.00 17.92     0.007 A 
-ATOM   2418  CD2 PHE B  35      96.493  64.839  -1.431  1.00 17.89     0.007 A 
-ATOM   2419  CE1 PHE B  35      96.391  66.656   0.644  1.00 19.01     0.001 A 
-ATOM   2420  CE2 PHE B  35      96.151  64.417  -0.156  1.00 17.72     0.001 A 
-ATOM   2421  CZ  PHE B  35      96.105  65.312   0.880  1.00 17.93     0.000 A 
-ATOM   2422  N   ILE B  36      96.298  69.312  -4.981  1.00 16.07    -0.346 N 
-ATOM   2423  HN  ILE B  36      96.092  69.743  -4.080  1.00  0.00     0.163 HD
-ATOM   2424  CA  ILE B  36      96.557  70.178  -6.120  1.00 15.71     0.180 C 
-ATOM   2425  C   ILE B  36      97.902  70.873  -5.943  1.00 16.22     0.241 C 
-ATOM   2426  O   ILE B  36      98.693  70.991  -6.879  1.00 15.15    -0.271 OA
-ATOM   2427  CB  ILE B  36      95.407  71.239  -6.301  1.00 15.68     0.013 C 
-ATOM   2428  CG1 ILE B  36      94.016  70.566  -6.201  1.00 15.13     0.002 C 
-ATOM   2429  CG2 ILE B  36      95.596  72.017  -7.622  1.00 14.55     0.012 C 
-ATOM   2430  CD1 ILE B  36      93.774  69.474  -7.293  1.00 13.12     0.005 C 
-ATOM   2431  N   ASN B  37      98.148  71.350  -4.726  1.00 16.67    -0.346 N 
-ATOM   2432  HN  ASN B  37      97.465  71.215  -3.981  1.00  0.00     0.163 HD
-ATOM   2433  CA  ASN B  37      99.371  72.054  -4.456  1.00 18.00     0.185 C 
-ATOM   2434  C   ASN B  37      99.807  72.040  -3.018  1.00 18.42     0.241 C 
-ATOM   2435  O   ASN B  37      98.994  71.985  -2.120  1.00 18.44    -0.271 OA
-ATOM   2436  CB  ASN B  37      99.300  73.487  -4.938  1.00 17.65     0.137 C 
-ATOM   2437  CG  ASN B  37     100.521  73.858  -5.745  1.00 19.77     0.217 C 
-ATOM   2438  ND2 ASN B  37     100.274  74.388  -6.924  1.00 16.18    -0.370 N 
-ATOM   2439 1HD2 ASN B  37     101.099  74.639  -7.469  1.00  0.00     0.159 HD
-ATOM   2440 2HD2 ASN B  37      99.331  74.585  -7.258  1.00  0.00     0.159 HD
-ATOM   2441  OD1 ASN B  37     101.713  73.609  -5.323  1.00 19.36    -0.274 OA
-ATOM   2442  N   ILE B  38     101.112  72.073  -2.823  1.00 18.82    -0.346 N 
-ATOM   2443  HN  ILE B  38     101.738  72.013  -3.626  1.00  0.00     0.163 HD
-ATOM   2444  CA  ILE B  38     101.672  72.192  -1.499  1.00 19.22     0.180 C 
-ATOM   2445  C   ILE B  38     102.407  73.528  -1.579  1.00 20.04     0.241 C 
-ATOM   2446  O   ILE B  38     103.386  73.673  -2.311  1.00 20.19    -0.271 OA
-ATOM   2447  CB  ILE B  38     102.591  71.033  -1.182  1.00 19.37     0.013 C 
-ATOM   2448  CG1 ILE B  38     101.805  69.715  -1.108  1.00 19.64     0.002 C 
-ATOM   2449  CG2 ILE B  38     103.272  71.254   0.148  1.00 19.35     0.012 C 
-ATOM   2450  CD1 ILE B  38     102.640  68.504  -1.348  1.00 19.64     0.005 C 
-ATOM   2451  N   LEU B  39     101.903  74.516  -0.854  1.00 20.71    -0.346 N 
-ATOM   2452  HN  LEU B  39     101.128  74.320  -0.221  1.00  0.00     0.163 HD
-ATOM   2453  CA  LEU B  39     102.427  75.882  -0.936  1.00 21.63     0.177 C 
-ATOM   2454  C   LEU B  39     103.532  76.257   0.026  1.00 22.43     0.241 C 
-ATOM   2455  O   LEU B  39     104.334  77.151  -0.264  1.00 23.19    -0.271 OA
-ATOM   2456  CB  LEU B  39     101.301  76.853  -0.733  1.00 21.40     0.038 C 
-ATOM   2457  CG  LEU B  39     100.143  76.494  -1.668  1.00 22.86    -0.020 C 
-ATOM   2458  CD1 LEU B  39      98.940  77.231  -1.237  1.00 23.60     0.009 C 
-ATOM   2459  CD2 LEU B  39     100.506  76.779  -3.109  1.00 23.13     0.009 C 
-ATOM   2460  N   GLU B  40     103.551  75.615   1.187  1.00 22.41    -0.346 N 
-ATOM   2461  HN  GLU B  40     102.854  74.893   1.370  1.00  0.00     0.163 HD
-ATOM   2462  CA  GLU B  40     104.540  75.918   2.198  1.00 23.11     0.177 C 
-ATOM   2463  C   GLU B  40     104.699  74.741   3.138  1.00 22.12     0.241 C 
-ATOM   2464  O   GLU B  40     103.736  74.061   3.495  1.00 22.02    -0.271 OA
-ATOM   2465  CB  GLU B  40     104.153  77.151   3.000  1.00 23.51     0.045 C 
-ATOM   2466  CG  GLU B  40     105.295  77.713   3.829  1.00 27.24     0.116 C 
-ATOM   2467  CD  GLU B  40     104.870  78.908   4.663  1.00 32.43     0.172 C 
-ATOM   2468  OE1 GLU B  40     103.653  79.016   4.992  1.00 33.30    -0.648 OA
-ATOM   2469  OE2 GLU B  40     105.768  79.730   4.998  1.00 34.13    -0.648 OA
-ATOM   2470  N   VAL B  41     105.938  74.514   3.507  1.00 21.07    -0.346 N 
-ATOM   2471  HN  VAL B  41     106.669  75.146   3.181  1.00  0.00     0.163 HD
-ATOM   2472  CA  VAL B  41     106.304  73.414   4.349  1.00 20.63     0.180 C 
-ATOM   2473  C   VAL B  41     107.315  73.982   5.351  1.00 20.31     0.241 C 
-ATOM   2474  O   VAL B  41     108.210  74.759   4.998  1.00 19.35    -0.271 OA
-ATOM   2475  CB  VAL B  41     106.838  72.262   3.446  1.00 20.85     0.009 C 
-ATOM   2476  CG1 VAL B  41     107.894  71.471   4.080  1.00 20.79     0.012 C 
-ATOM   2477  CG2 VAL B  41     105.680  71.391   2.974  1.00 20.25     0.012 C 
-ATOM   2478  N   ASN B  42     107.147  73.616   6.615  1.00 20.26    -0.346 N 
-ATOM   2479  HN  ASN B  42     106.350  73.035   6.876  1.00  0.00     0.163 HD
-ATOM   2480  CA  ASN B  42     108.099  74.043   7.630  1.00 20.54     0.185 C 
-ATOM   2481  C   ASN B  42     108.524  72.880   8.490  1.00 20.74     0.241 C 
-ATOM   2482  O   ASN B  42     107.729  72.375   9.266  1.00 20.48    -0.271 OA
-ATOM   2483  CB  ASN B  42     107.533  75.203   8.444  1.00 20.45     0.137 C 
-ATOM   2484  CG  ASN B  42     108.586  75.877   9.333  1.00 20.65     0.217 C 
-ATOM   2485  ND2 ASN B  42     108.466  77.179   9.479  1.00 19.14    -0.370 N 
-ATOM   2486 1HD2 ASN B  42     107.737  77.716   9.009  1.00  0.00     0.159 HD
-ATOM   2487 2HD2 ASN B  42     109.166  77.627  10.070  1.00  0.00     0.159 HD
-ATOM   2488  OD1 ASN B  42     109.463  75.231   9.898  1.00 21.10    -0.274 OA
-ATOM   2489  N   GLU B  43     109.783  72.451   8.330  1.00 21.44    -0.346 N 
-ATOM   2490  HN  GLU B  43     110.416  72.994   7.743  1.00  0.00     0.163 HD
-ATOM   2491  CA  GLU B  43     110.281  71.236   8.964  1.00 21.78     0.177 C 
-ATOM   2492  C   GLU B  43     110.568  71.476  10.439  1.00 21.87     0.241 C 
-ATOM   2493  O   GLU B  43     110.502  70.549  11.246  1.00 21.34    -0.271 OA
-ATOM   2494  CB  GLU B  43     111.498  70.660   8.209  1.00 22.27     0.045 C 
-ATOM   2495  CG  GLU B  43     111.567  69.126   8.239  1.00 24.54     0.116 C 
-ATOM   2496  CD  GLU B  43     112.793  68.525   7.551  1.00 27.48     0.172 C 
-ATOM   2497  OE1 GLU B  43     113.233  69.069   6.496  1.00 28.91    -0.648 OA
-ATOM   2498  OE2 GLU B  43     113.296  67.488   8.059  1.00 27.52    -0.648 OA
-ATOM   2499  N   ILE B  44     110.867  72.733  10.791  1.00 21.86    -0.346 N 
-ATOM   2500  HN  ILE B  44     110.965  73.443  10.065  1.00  0.00     0.163 HD
-ATOM   2501  CA  ILE B  44     111.056  73.112  12.192  1.00 21.82     0.180 C 
-ATOM   2502  C   ILE B  44     109.727  73.077  12.969  1.00 21.43     0.241 C 
-ATOM   2503  O   ILE B  44     109.669  72.525  14.045  1.00 21.29    -0.271 OA
-ATOM   2504  CB  ILE B  44     111.712  74.519  12.336  1.00 22.41     0.013 C 
-ATOM   2505  CG1 ILE B  44     113.047  74.642  11.554  1.00 22.99     0.002 C 
-ATOM   2506  CG2 ILE B  44     111.888  74.887  13.815  1.00 22.40     0.012 C 
-ATOM   2507  CD1 ILE B  44     114.097  73.570  11.893  1.00 24.15     0.005 C 
-ATOM   2508  N   THR B  45     108.670  73.661  12.416  1.00 20.64    -0.344 N 
-ATOM   2509  HN  THR B  45     108.746  74.039  11.472  1.00  0.00     0.163 HD
-ATOM   2510  CA  THR B  45     107.402  73.774  13.129  1.00 20.07     0.205 C 
-ATOM   2511  C   THR B  45     106.476  72.615  12.822  1.00 19.59     0.243 C 
-ATOM   2512  O   THR B  45     105.508  72.425  13.529  1.00 19.62    -0.271 OA
-ATOM   2513  CB  THR B  45     106.661  75.130  12.846  1.00 20.23     0.146 C 
-ATOM   2514  CG2 THR B  45     107.581  76.360  13.053  1.00 20.09     0.042 C 
-ATOM   2515  OG1 THR B  45     106.311  75.199  11.462  1.00 20.39    -0.393 OA
-ATOM   2516  HG1 THR B  45     105.747  74.445  11.335  1.00  0.00     0.210 HD
-ATOM   2517  N   ASN B  46     106.789  71.826  11.794  1.00 19.18    -0.345 N 
-ATOM   2518  HN  ASN B  46     107.636  72.021  11.260  1.00  0.00     0.163 HD
-ATOM   2519  CA  ASN B  46     105.945  70.679  11.407  1.00 18.81     0.185 C 
-ATOM   2520  C   ASN B  46     104.558  71.165  10.925  1.00 18.43     0.241 C 
-ATOM   2521  O   ASN B  46     103.508  70.716  11.385  1.00 17.98    -0.271 OA
-ATOM   2522  CB  ASN B  46     105.819  69.639  12.544  1.00 17.79     0.137 C 
-ATOM   2523  CG  ASN B  46     106.847  68.513  12.436  1.00 18.15     0.217 C 
-ATOM   2524  ND2 ASN B  46     107.192  67.929  13.587  1.00 15.36    -0.370 N 
-ATOM   2525 1HD2 ASN B  46     107.878  67.178  13.515  1.00  0.00     0.159 HD
-ATOM   2526 2HD2 ASN B  46     106.795  68.210  14.483  1.00  0.00     0.159 HD
-ATOM   2527  OD1 ASN B  46     107.328  68.173  11.351  1.00 16.92    -0.274 OA
-ATOM   2528  N   GLU B  47     104.582  72.114  10.004  1.00 18.79    -0.346 N 
-ATOM   2529  HN  GLU B  47     105.481  72.425   9.637  1.00  0.00     0.163 HD
-ATOM   2530  CA  GLU B  47     103.369  72.724   9.501  1.00 19.22     0.177 C 
-ATOM   2531  C   GLU B  47     103.439  72.728   7.998  1.00 19.46     0.241 C 
-ATOM   2532  O   GLU B  47     104.513  72.914   7.437  1.00 19.69    -0.271 OA
-ATOM   2533  CB  GLU B  47     103.215  74.156  10.053  1.00 19.43     0.045 C 
-ATOM   2534  CG  GLU B  47     102.854  74.231  11.549  1.00 21.29     0.116 C 
-ATOM   2535  CD  GLU B  47     102.924  75.661  12.131  1.00 26.00     0.172 C 
-ATOM   2536  OE1 GLU B  47     102.741  76.645  11.362  1.00 28.26    -0.648 OA
-ATOM   2537  OE2 GLU B  47     103.161  75.827  13.358  1.00 27.87    -0.648 OA
-ATOM   2538  N   VAL B  48     102.307  72.495   7.344  1.00 19.33    -0.346 N 
-ATOM   2539  HN  VAL B  48     101.462  72.300   7.881  1.00  0.00     0.163 HD
-ATOM   2540  CA  VAL B  48     102.226  72.507   5.900  1.00 19.92     0.180 C 
-ATOM   2541  C   VAL B  48     100.986  73.297   5.502  1.00 19.86     0.241 C 
-ATOM   2542  O   VAL B  48      99.992  73.267   6.199  1.00 19.60    -0.271 OA
-ATOM   2543  CB  VAL B  48     102.168  71.052   5.292  1.00 19.89     0.009 C 
-ATOM   2544  CG1 VAL B  48     103.327  70.187   5.775  1.00 20.41     0.012 C 
-ATOM   2545  CG2 VAL B  48     100.896  70.381   5.622  1.00 20.55     0.012 C 
-ATOM   2546  N   ASP B  49     101.066  73.981   4.375  1.00 20.55    -0.345 N 
-ATOM   2547  HN  ASP B  49     101.965  73.979   3.894  1.00  0.00     0.163 HD
-ATOM   2548  CA  ASP B  49      99.973  74.746   3.751  1.00 21.02     0.186 C 
-ATOM   2549  C   ASP B  49      99.646  74.032   2.447  1.00 20.53     0.241 C 
-ATOM   2550  O   ASP B  49     100.523  73.859   1.603  1.00 19.84    -0.271 OA
-ATOM   2551  CB  ASP B  49     100.523  76.162   3.470  1.00 22.07     0.147 C 
-ATOM   2552  CG  ASP B  49      99.446  77.224   3.211  1.00 24.83     0.175 C 
-ATOM   2553  OD1 ASP B  49      98.251  76.942   2.946  1.00 28.45    -0.648 OA
-ATOM   2554  OD2 ASP B  49      99.741  78.431   3.236  1.00 28.79    -0.648 OA
-ATOM   2555  N   VAL B  50      98.395  73.602   2.284  1.00 20.21    -0.346 N 
-ATOM   2556  HN  VAL B  50      97.684  73.870   2.965  1.00  0.00     0.163 HD
-ATOM   2557  CA  VAL B  50      98.013  72.748   1.142  1.00 20.10     0.180 C 
-ATOM   2558  C   VAL B  50      96.716  73.171   0.452  1.00 19.17     0.241 C 
-ATOM   2559  O   VAL B  50      95.827  73.766   1.072  1.00 18.71    -0.271 OA
-ATOM   2560  CB  VAL B  50      97.857  71.251   1.594  1.00 20.76     0.009 C 
-ATOM   2561  CG1 VAL B  50      97.524  70.385   0.402  1.00 22.28     0.012 C 
-ATOM   2562  CG2 VAL B  50      99.145  70.741   2.209  1.00 21.95     0.012 C 
-ATOM   2563  N   VAL B  51      96.607  72.870  -0.837  1.00 18.18    -0.346 N 
-ATOM   2564  HN  VAL B  51      97.412  72.466  -1.317  1.00  0.00     0.163 HD
-ATOM   2565  CA  VAL B  51      95.385  73.094  -1.589  1.00 16.88     0.180 C 
-ATOM   2566  C   VAL B  51      94.923  71.775  -2.155  1.00 16.56     0.241 C 
-ATOM   2567  O   VAL B  51      95.698  71.086  -2.860  1.00 15.63    -0.271 OA
-ATOM   2568  CB  VAL B  51      95.568  74.069  -2.771  1.00 17.28     0.009 C 
-ATOM   2569  CG1 VAL B  51      94.248  74.271  -3.492  1.00 16.99     0.012 C 
-ATOM   2570  CG2 VAL B  51      96.116  75.386  -2.335  1.00 16.66     0.012 C 
-ATOM   2571  N   PHE B  52      93.660  71.429  -1.860  1.00 14.77    -0.346 N 
-ATOM   2572  HN  PHE B  52      93.086  72.054  -1.295  1.00  0.00     0.163 HD
-ATOM   2573  CA  PHE B  52      93.099  70.172  -2.337  1.00 14.86     0.180 C 
-ATOM   2574  C   PHE B  52      91.635  70.310  -2.665  1.00 15.05     0.241 C 
-ATOM   2575  O   PHE B  52      90.927  71.130  -2.075  1.00 13.79    -0.271 OA
-ATOM   2576  CB  PHE B  52      93.279  69.067  -1.284  1.00 14.41     0.073 C 
-ATOM   2577  CG  PHE B  52      92.759  69.452   0.099  1.00 13.67    -0.056 A 
-ATOM   2578  CD1 PHE B  52      93.601  70.092   1.032  1.00 10.52     0.007 A 
-ATOM   2579  CD2 PHE B  52      91.443  69.179   0.457  1.00 13.58     0.007 A 
-ATOM   2580  CE1 PHE B  52      93.111  70.457   2.323  1.00 13.46     0.001 A 
-ATOM   2581  CE2 PHE B  52      90.931  69.533   1.772  1.00 16.26     0.001 A 
-ATOM   2582  CZ  PHE B  52      91.762  70.182   2.679  1.00 15.67     0.000 A 
-ATOM   2583  N   TRP B  53      91.176  69.477  -3.583  1.00 15.56    -0.346 N 
-ATOM   2584  HN  TRP B  53      91.837  68.955  -4.159  1.00  0.00     0.163 HD
-ATOM   2585  CA  TRP B  53      89.748  69.288  -3.790  1.00 16.77     0.181 C 
-ATOM   2586  C   TRP B  53      89.202  68.230  -2.834  1.00 17.66     0.241 C 
-ATOM   2587  O   TRP B  53      89.633  67.072  -2.874  1.00 17.12    -0.271 OA
-ATOM   2588  CB  TRP B  53      89.473  68.860  -5.226  1.00 16.06     0.075 C 
-ATOM   2589  CG  TRP B  53      90.033  69.781  -6.226  1.00 16.35    -0.028 A 
-ATOM   2590  CD1 TRP B  53      90.465  71.061  -6.019  1.00 15.97     0.096 A 
-ATOM   2591  CD2 TRP B  53      90.193  69.527  -7.629  1.00 15.84    -0.002 A 
-ATOM   2592  CE2 TRP B  53      90.729  70.692  -8.206  1.00 16.38     0.042 A 
-ATOM   2593  CE3 TRP B  53      89.954  68.415  -8.450  1.00 17.98     0.014 A 
-ATOM   2594  NE1 TRP B  53      90.891  71.605  -7.206  1.00 16.52    -0.365 N 
-ATOM   2595  HE1 TRP B  53      91.269  72.545  -7.322  1.00  0.00     0.165 HD
-ATOM   2596  CZ2 TRP B  53      91.056  70.782  -9.567  1.00 18.55     0.030 A 
-ATOM   2597  CZ3 TRP B  53      90.235  68.503  -9.807  1.00 18.94     0.001 A 
-ATOM   2598  CH2 TRP B  53      90.786  69.680 -10.353  1.00 19.29     0.002 A 
-ATOM   2599  N   GLN B  54      88.251  68.628  -1.992  1.00 18.24    -0.346 N 
-ATOM   2600  HN  GLN B  54      87.917  69.591  -2.030  1.00  0.00     0.163 HD
-ATOM   2601  CA  GLN B  54      87.678  67.705  -1.014  1.00 19.22     0.177 C 
-ATOM   2602  C   GLN B  54      86.417  67.053  -1.603  1.00 19.03     0.241 C 
-ATOM   2603  O   GLN B  54      85.314  67.532  -1.388  1.00 19.43    -0.271 OA
-ATOM   2604  CB  GLN B  54      87.398  68.429   0.314  1.00 19.57     0.044 C 
-ATOM   2605  CG  GLN B  54      86.940  67.537   1.469  1.00 22.75     0.105 C 
-ATOM   2606  CD  GLN B  54      86.917  68.286   2.781  1.00 27.55     0.215 C 
-ATOM   2607  NE2 GLN B  54      85.720  68.485   3.341  1.00 29.29    -0.370 N 
-ATOM   2608 1HE2 GLN B  54      85.704  68.991   4.227  1.00  0.00     0.159 HD
-ATOM   2609 2HE2 GLN B  54      84.850  68.150   2.926  1.00  0.00     0.159 HD
-ATOM   2610  OE1 GLN B  54      87.967  68.690   3.282  1.00 28.85    -0.274 OA
-ATOM   2611  N   GLN B  55      86.596  65.957  -2.337  1.00 18.87    -0.346 N 
-ATOM   2612  HN  GLN B  55      87.543  65.599  -2.460  1.00  0.00     0.163 HD
-ATOM   2613  CA  GLN B  55      85.506  65.257  -2.964  1.00 19.33     0.177 C 
-ATOM   2614  C   GLN B  55      84.630  64.587  -1.895  1.00 19.37     0.241 C 
-ATOM   2615  O   GLN B  55      85.078  63.660  -1.205  1.00 18.85    -0.271 OA
-ATOM   2616  CB  GLN B  55      86.037  64.209  -3.941  1.00 19.71     0.044 C 
-ATOM   2617  CG  GLN B  55      84.942  63.347  -4.557  1.00 21.61     0.105 C 
-ATOM   2618  CD  GLN B  55      85.452  62.419  -5.636  1.00 26.30     0.215 C 
-ATOM   2619  NE2 GLN B  55      84.600  61.519  -6.095  1.00 26.78    -0.370 N 
-ATOM   2620 1HE2 GLN B  55      83.644  61.440  -5.749  1.00  0.00     0.159 HD
-ATOM   2621 2HE2 GLN B  55      84.944  60.893  -6.823  1.00  0.00     0.159 HD
-ATOM   2622  OE1 GLN B  55      86.597  62.513  -6.050  1.00 28.39    -0.274 OA
-ATOM   2623  N   THR B  56      83.402  65.082  -1.762  1.00 18.74    -0.344 N 
-ATOM   2624  HN  THR B  56      83.097  65.811  -2.407  1.00  0.00     0.163 HD
-ATOM   2625  CA  THR B  56      82.482  64.632  -0.743  1.00 19.40     0.205 C 
-ATOM   2626  C   THR B  56      81.161  64.177  -1.315  1.00 19.44     0.243 C 
-ATOM   2627  O   THR B  56      80.502  64.880  -2.074  1.00 19.60    -0.271 OA
-ATOM   2628  CB  THR B  56      82.238  65.724   0.310  1.00 19.93     0.146 C 
-ATOM   2629  CG2 THR B  56      81.978  65.111   1.671  1.00 19.25     0.042 C 
-ATOM   2630  OG1 THR B  56      83.447  66.461   0.500  1.00 22.08    -0.393 OA
-ATOM   2631  HG1 THR B  56      83.296  67.136   1.151  1.00  0.00     0.210 HD
-ATOM   2632  N   THR B  57      80.767  62.985  -0.919  1.00 18.85    -0.344 N 
-ATOM   2633  HN  THR B  57      81.259  62.528  -0.151  1.00  0.00     0.163 HD
-ATOM   2634  CA  THR B  57      79.657  62.309  -1.545  1.00 19.02     0.205 C 
-ATOM   2635  C   THR B  57      78.741  61.715  -0.462  1.00 18.25     0.243 C 
-ATOM   2636  O   THR B  57      79.226  61.217   0.564  1.00 17.57    -0.271 OA
-ATOM   2637  CB  THR B  57      80.288  61.253  -2.461  1.00 19.85     0.146 C 
-ATOM   2638  CG2 THR B  57      79.616  59.910  -2.348  1.00 21.16     0.042 C 
-ATOM   2639  OG1 THR B  57      80.204  61.675  -3.832  1.00 21.71    -0.393 OA
-ATOM   2640  HG1 THR B  57      80.628  62.522  -3.903  1.00  0.00     0.210 HD
-ATOM   2641  N   TRP B  58      77.429  61.827  -0.665  1.00 16.88    -0.346 N 
-ATOM   2642  HN  TRP B  58      77.102  62.338  -1.485  1.00  0.00     0.163 HD
-ATOM   2643  CA  TRP B  58      76.445  61.251   0.235  1.00 17.00     0.181 C 
-ATOM   2644  C   TRP B  58      75.097  61.288  -0.436  1.00 17.03     0.241 C 
-ATOM   2645  O   TRP B  58      74.907  61.943  -1.456  1.00 17.03    -0.271 OA
-ATOM   2646  CB  TRP B  58      76.378  61.971   1.595  1.00 16.39     0.075 C 
-ATOM   2647  CG  TRP B  58      75.769  63.333   1.507  1.00 16.40    -0.028 A 
-ATOM   2648  CD1 TRP B  58      74.451  63.664   1.692  1.00 16.20     0.096 A 
-ATOM   2649  CD2 TRP B  58      76.450  64.557   1.172  1.00 14.65    -0.002 A 
-ATOM   2650  CE2 TRP B  58      75.486  65.589   1.192  1.00 14.16     0.042 A 
-ATOM   2651  CE3 TRP B  58      77.784  64.883   0.881  1.00 13.58     0.014 A 
-ATOM   2652  NE1 TRP B  58      74.274  65.013   1.495  1.00 15.44    -0.365 N 
-ATOM   2653  HE1 TRP B  58      73.385  65.508   1.563  1.00  0.00     0.165 HD
-ATOM   2654  CZ2 TRP B  58      75.802  66.927   0.907  1.00 13.42     0.030 A 
-ATOM   2655  CZ3 TRP B  58      78.118  66.225   0.613  1.00 13.61     0.001 A 
-ATOM   2656  CH2 TRP B  58      77.116  67.218   0.601  1.00 15.10     0.002 A 
-ATOM   2657  N   SER B  59      74.147  60.615   0.177  1.00 17.53    -0.344 N 
-ATOM   2658  HN  SER B  59      74.349  60.169   1.072  1.00  0.00     0.163 HD
-ATOM   2659  CA  SER B  59      72.831  60.494  -0.387  1.00 18.63     0.200 C 
-ATOM   2660  C   SER B  59      71.824  61.221   0.507  1.00 18.45     0.243 C 
-ATOM   2661  O   SER B  59      71.882  61.175   1.732  1.00 18.05    -0.271 OA
-ATOM   2662  CB  SER B  59      72.492  59.007  -0.521  1.00 18.64     0.199 C 
-ATOM   2663  OG  SER B  59      71.106  58.840  -0.353  1.00 22.26    -0.398 OA
-ATOM   2664  HG  SER B  59      70.896  57.917  -0.436  1.00  0.00     0.209 HD
-ATOM   2665  N   ASP B  60      70.906  61.934  -0.122  1.00 19.25    -0.345 N 
-ATOM   2666  HN  ASP B  60      70.975  62.058  -1.132  1.00  0.00     0.163 HD
-ATOM   2667  CA  ASP B  60      69.791  62.551   0.603  1.00 19.60     0.186 C 
-ATOM   2668  C   ASP B  60      68.508  62.346  -0.196  1.00 19.28     0.241 C 
-ATOM   2669  O   ASP B  60      68.261  63.070  -1.163  1.00 18.41    -0.271 OA
-ATOM   2670  CB  ASP B  60      70.064  64.047   0.815  1.00 19.79     0.147 C 
-ATOM   2671  CG  ASP B  60      69.005  64.727   1.697  1.00 21.98     0.175 C 
-ATOM   2672  OD1 ASP B  60      67.890  64.169   1.915  1.00 21.88    -0.648 OA
-ATOM   2673  OD2 ASP B  60      69.214  65.816   2.257  1.00 24.10    -0.648 OA
-ATOM   2674  N   ARG B  61      67.708  61.354   0.201  1.00 19.45    -0.346 N 
-ATOM   2675  HN  ARG B  61      67.933  60.837   1.051  1.00  0.00     0.163 HD
-ATOM   2676  CA  ARG B  61      66.505  60.995  -0.570  1.00 19.64     0.176 C 
-ATOM   2677  C   ARG B  61      65.418  62.071  -0.503  1.00 18.83     0.241 C 
-ATOM   2678  O   ARG B  61      64.586  62.139  -1.373  1.00 18.69    -0.271 OA
-ATOM   2679  CB  ARG B  61      65.929  59.620  -0.179  1.00 19.82     0.036 C 
-ATOM   2680  CG  ARG B  61      66.881  58.395  -0.280  1.00 22.88     0.023 C 
-ATOM   2681  CD  ARG B  61      67.345  57.987  -1.670  1.00 24.69     0.138 C 
-ATOM   2682  NE  ARG B  61      68.804  57.711  -1.703  1.00 30.61    -0.227 N 
-ATOM   2683  HE  ARG B  61      69.409  58.320  -1.153  1.00  0.00     0.177 HD
-ATOM   2684  CZ  ARG B  61      69.396  56.713  -2.407  1.00 33.33     0.665 C 
-ATOM   2685  NH1 ARG B  61      68.661  55.885  -3.155  1.00 33.08    -0.235 N 
-ATOM   2686 1HH1 ARG B  61      69.106  55.135  -3.684  1.00  0.00     0.174 HD
-ATOM   2687 2HH1 ARG B  61      67.650  56.015  -3.185  1.00  0.00     0.174 HD
-ATOM   2688  NH2 ARG B  61      70.724  56.542  -2.368  1.00 33.24    -0.235 N 
-ATOM   2689 1HH2 ARG B  61      71.169  55.792  -2.897  1.00  0.00     0.174 HD
-ATOM   2690 2HH2 ARG B  61      71.285  57.174  -1.797  1.00  0.00     0.174 HD
-ATOM   2691  N   THR B  62      65.426  62.934   0.510  1.00 20.48    -0.344 N 
-ATOM   2692  HN  THR B  62      66.089  62.824   1.277  1.00  0.00     0.163 HD
-ATOM   2693  CA  THR B  62      64.462  64.052   0.508  1.00 20.82     0.205 C 
-ATOM   2694  C   THR B  62      64.635  64.976  -0.716  1.00 20.42     0.243 C 
-ATOM   2695  O   THR B  62      63.698  65.679  -1.079  1.00 20.47    -0.271 OA
-ATOM   2696  CB  THR B  62      64.457  64.872   1.834  1.00 21.15     0.146 C 
-ATOM   2697  CG2 THR B  62      64.375  63.958   3.079  1.00 22.02     0.042 C 
-ATOM   2698  OG1 THR B  62      65.704  65.552   2.008  1.00 22.94    -0.393 OA
-ATOM   2699  HG1 THR B  62      65.701  66.052   2.816  1.00  0.00     0.210 HD
-ATOM   2700  N   LEU B  63      65.802  64.942  -1.366  1.00 19.77    -0.346 N 
-ATOM   2701  HN  LEU B  63      66.530  64.303  -1.045  1.00  0.00     0.163 HD
-ATOM   2702  CA  LEU B  63      66.067  65.800  -2.531  1.00 19.32     0.177 C 
-ATOM   2703  C   LEU B  63      65.557  65.190  -3.858  1.00 19.60     0.241 C 
-ATOM   2704  O   LEU B  63      65.452  65.880  -4.888  1.00 19.77    -0.271 OA
-ATOM   2705  CB  LEU B  63      67.556  66.070  -2.654  1.00 18.85     0.038 C 
-ATOM   2706  CG  LEU B  63      68.285  66.699  -1.460  1.00 19.98    -0.020 C 
-ATOM   2707  CD1 LEU B  63      69.764  66.819  -1.767  1.00 18.85     0.009 C 
-ATOM   2708  CD2 LEU B  63      67.715  68.065  -1.138  1.00 19.41     0.009 C 
-ATOM   2709  N   ALA B  64      65.239  63.910  -3.830  1.00 18.58    -0.346 N 
-ATOM   2710  HN  ALA B  64      65.205  63.432  -2.929  1.00  0.00     0.163 HD
-ATOM   2711  CA  ALA B  64      64.937  63.159  -5.027  1.00 18.64     0.172 C 
-ATOM   2712  C   ALA B  64      63.724  63.683  -5.775  1.00 18.69     0.240 C 
-ATOM   2713  O   ALA B  64      62.780  64.215  -5.189  1.00 18.91    -0.271 OA
-ATOM   2714  CB  ALA B  64      64.728  61.641  -4.668  1.00 18.50     0.042 C 
-ATOM   2715  N   TRP B  65      63.746  63.526  -7.092  1.00 18.66    -0.346 N 
-ATOM   2716  HN  TRP B  65      64.589  63.163  -7.537  1.00  0.00     0.163 HD
-ATOM   2717  CA  TRP B  65      62.592  63.861  -7.916  1.00 18.45     0.181 C 
-ATOM   2718  C   TRP B  65      62.513  62.880  -9.078  1.00 18.91     0.241 C 
-ATOM   2719  O   TRP B  65      63.509  62.278  -9.478  1.00 18.73    -0.271 OA
-ATOM   2720  CB  TRP B  65      62.662  65.317  -8.430  1.00 17.74     0.075 C 
-ATOM   2721  CG  TRP B  65      63.778  65.576  -9.424  1.00 16.26    -0.028 A 
-ATOM   2722  CD1 TRP B  65      63.692  65.491 -10.781  1.00 14.80     0.096 A 
-ATOM   2723  CD2 TRP B  65      65.145  65.942  -9.133  1.00 13.57    -0.002 A 
-ATOM   2724  CE2 TRP B  65      65.814  66.068 -10.355  1.00 12.29     0.042 A 
-ATOM   2725  CE3 TRP B  65      65.862  66.178  -7.961  1.00 12.67     0.014 A 
-ATOM   2726  NE1 TRP B  65      64.912  65.777 -11.347  1.00 13.58    -0.365 N 
-ATOM   2727  HE1 TRP B  65      65.115  65.773 -12.347  1.00  0.00     0.165 HD
-ATOM   2728  CZ2 TRP B  65      67.150  66.410 -10.445  1.00 11.45     0.030 A 
-ATOM   2729  CZ3 TRP B  65      67.226  66.525  -8.065  1.00 12.09     0.001 A 
-ATOM   2730  CH2 TRP B  65      67.836  66.622  -9.290  1.00 11.44     0.002 A 
-ATOM   2731  N   ASN B  66      61.313  62.729  -9.617  1.00 19.73    -0.346 N 
-ATOM   2732  HN  ASN B  66      60.515  63.195  -9.186  1.00  0.00     0.163 HD
-ATOM   2733  CA  ASN B  66      61.098  61.917 -10.808  1.00 20.67     0.185 C 
-ATOM   2734  C   ASN B  66      61.623  62.633 -12.051  1.00 20.73     0.241 C 
-ATOM   2735  O   ASN B  66      61.066  63.653 -12.475  1.00 20.88    -0.271 OA
-ATOM   2736  CB  ASN B  66      59.605  61.660 -10.962  1.00 21.03     0.137 C 
-ATOM   2737  CG  ASN B  66      59.280  60.633 -12.051  1.00 22.84     0.217 C 
-ATOM   2738  ND2 ASN B  66      58.137  59.951 -11.886  1.00 25.22    -0.370 N 
-ATOM   2739 1HD2 ASN B  66      57.529  60.092 -11.079  1.00  0.00     0.159 HD
-ATOM   2740 2HD2 ASN B  66      57.921  59.267 -12.611  1.00  0.00     0.159 HD
-ATOM   2741  OD1 ASN B  66      60.020  60.462 -13.032  1.00 23.27    -0.274 OA
-ATOM   2742  N   SER B  67      62.674  62.099 -12.654  1.00 21.50    -0.344 N 
-ATOM   2743  HN  SER B  67      63.112  61.263 -12.267  1.00  0.00     0.163 HD
-ATOM   2744  CA  SER B  67      63.204  62.699 -13.863  1.00 21.82     0.200 C 
-ATOM   2745  C   SER B  67      63.075  61.800 -15.099  1.00 22.58     0.243 C 
-ATOM   2746  O   SER B  67      63.992  61.724 -15.918  1.00 22.67    -0.271 OA
-ATOM   2747  CB  SER B  67      64.643  63.106 -13.653  1.00 21.58     0.199 C 
-ATOM   2748  OG  SER B  67      65.404  61.987 -13.307  1.00 21.63    -0.398 OA
-ATOM   2749  HG  SER B  67      66.309  62.243 -13.175  1.00  0.00     0.209 HD
-ATOM   2750  N   SER B  68      61.930  61.136 -15.231  1.00 23.01    -0.344 N 
-ATOM   2751  HN  SER B  68      61.264  61.142 -14.458  1.00  0.00     0.163 HD
-ATOM   2752  CA  SER B  68      61.595  60.397 -16.450  1.00 23.39     0.200 C 
-ATOM   2753  C   SER B  68      61.531  61.332 -17.666  1.00 23.39     0.243 C 
-ATOM   2754  O   SER B  68      61.921  60.972 -18.788  1.00 23.03    -0.271 OA
-ATOM   2755  CB  SER B  68      60.248  59.698 -16.273  1.00 23.68     0.199 C 
-ATOM   2756  OG  SER B  68      59.276  60.593 -15.736  1.00 25.00    -0.398 OA
-ATOM   2757  HG  SER B  68      58.438  60.158 -15.626  1.00  0.00     0.209 HD
-ATOM   2758  N   HIS B  69      61.030  62.540 -17.434  1.00 23.45    -0.346 N 
-ATOM   2759  HN  HIS B  69      60.699  62.775 -16.498  1.00  0.00     0.163 HD
-ATOM   2760  CA  HIS B  69      60.946  63.531 -18.490  1.00 23.41     0.182 C 
-ATOM   2761  C   HIS B  69      61.514  64.878 -18.041  1.00 23.29     0.241 C 
-ATOM   2762  O   HIS B  69      60.965  65.911 -18.438  1.00 23.85    -0.271 OA
-ATOM   2763  CB  HIS B  69      59.489  63.716 -18.934  1.00 23.60     0.093 C 
-ATOM   2764  CG  HIS B  69      58.769  62.436 -19.257  1.00 23.74     0.028 A 
-ATOM   2765  CD2 HIS B  69      57.970  61.643 -18.499  1.00 23.20     0.114 A 
-ATOM   2766  ND1 HIS B  69      58.805  61.858 -20.507  1.00 22.96    -0.354 N 
-ATOM   2767  HD1 HIS B  69      59.319  62.221 -21.310  1.00  0.00     0.166 HD
-ATOM   2768  CE1 HIS B  69      58.069  60.757 -20.504  1.00 23.58     0.180 A 
-ATOM   2769  NE2 HIS B  69      57.552  60.603 -19.298  1.00 23.74    -0.360 N 
-ATOM   2770  HE2 HIS B  69      56.943  59.839 -19.007  1.00  0.00     0.166 HD
-ATOM   2771  N   SER B  70      62.591  64.863 -17.233  1.00 22.40    -0.344 N 
-ATOM   2772  HN  SER B  70      63.011  63.959 -17.014  1.00  0.00     0.163 HD
-ATOM   2773  CA  SER B  70      63.204  66.070 -16.643  1.00 21.99     0.200 C 
-ATOM   2774  C   SER B  70      64.735  65.953 -16.602  1.00 21.81     0.245 C 
-ATOM   2775  O   SER B  70      65.257  64.840 -16.707  1.00 21.64    -0.271 OA
-ATOM   2776  CB  SER B  70      62.674  66.307 -15.222  1.00 21.80     0.199 C 
-ATOM   2777  OG  SER B  70      61.265  66.419 -15.197  1.00 22.20    -0.398 OA
-ATOM   2778  HG  SER B  70      60.937  66.566 -14.318  1.00  0.00     0.209 HD
-ATOM   2779  N   PRO B  71      65.451  67.078 -16.451  1.00 21.48    -0.337 N 
-ATOM   2780  CA  PRO B  71      66.896  67.027 -16.170  1.00 21.23     0.179 C 
-ATOM   2781  C   PRO B  71      67.126  66.141 -14.966  1.00 20.72     0.241 C 
-ATOM   2782  O   PRO B  71      66.319  66.169 -14.035  1.00 20.25    -0.271 OA
-ATOM   2783  CB  PRO B  71      67.240  68.475 -15.825  1.00 21.12     0.037 C 
-ATOM   2784  CG  PRO B  71      66.204  69.281 -16.544  1.00 21.27     0.022 C 
-ATOM   2785  CD  PRO B  71      64.962  68.465 -16.557  1.00 21.38     0.127 C 
-ATOM   2786  N   ASP B  72      68.185  65.348 -14.986  1.00 20.43    -0.346 N 
-ATOM   2787  HN  ASP B  72      68.837  65.374 -15.770  1.00  0.00     0.163 HD
-ATOM   2788  CA  ASP B  72      68.402  64.443 -13.876  1.00 21.17     0.186 C 
-ATOM   2789  C   ASP B  72      69.469  64.897 -12.880  1.00 19.94     0.241 C 
-ATOM   2790  O   ASP B  72      69.737  64.184 -11.922  1.00 19.94    -0.271 OA
-ATOM   2791  CB  ASP B  72      68.660  63.018 -14.386  1.00 22.56     0.147 C 
-ATOM   2792  CG  ASP B  72      70.087  62.807 -14.807  1.00 26.25     0.175 C 
-ATOM   2793  OD1 ASP B  72      70.612  63.659 -15.564  1.00 29.98    -0.648 OA
-ATOM   2794  OD2 ASP B  72      70.764  61.830 -14.407  1.00 31.50    -0.648 OA
-ATOM   2795  N   GLN B  73      70.044  66.087 -13.104  1.00 18.38    -0.346 N 
-ATOM   2796  HN  GLN B  73      69.762  66.607 -13.935  1.00  0.00     0.163 HD
-ATOM   2797  CA  GLN B  73      71.056  66.686 -12.224  1.00 17.34     0.177 C 
-ATOM   2798  C   GLN B  73      70.937  68.195 -12.218  1.00 15.93     0.241 C 
-ATOM   2799  O   GLN B  73      70.637  68.786 -13.226  1.00 15.23    -0.271 OA
-ATOM   2800  CB  GLN B  73      72.470  66.367 -12.722  1.00 17.48     0.044 C 
-ATOM   2801  CG  GLN B  73      72.973  65.006 -12.385  1.00 20.52     0.105 C 
-ATOM   2802  CD  GLN B  73      74.472  64.823 -12.628  1.00 22.74     0.215 C 
-ATOM   2803  NE2 GLN B  73      74.822  63.680 -13.227  1.00 20.56    -0.370 N 
-ATOM   2804 1HE2 GLN B  73      74.142  62.979 -13.522  1.00  0.00     0.159 HD
-ATOM   2805 2HE2 GLN B  73      75.822  63.558 -13.389  1.00  0.00     0.159 HD
-ATOM   2806  OE1 GLN B  73      75.300  65.677 -12.269  1.00 24.13    -0.274 OA
-ATOM   2807  N   VAL B  74      71.211  68.817 -11.085  1.00 14.76    -0.346 N 
-ATOM   2808  HN  VAL B  74      71.374  68.264 -10.243  1.00  0.00     0.163 HD
-ATOM   2809  CA  VAL B  74      71.287  70.264 -11.004  1.00 13.98     0.180 C 
-ATOM   2810  C   VAL B  74      72.419  70.672 -10.034  1.00 14.32     0.241 C 
-ATOM   2811  O   VAL B  74      72.824  69.880  -9.144  1.00 13.64    -0.271 OA
-ATOM   2812  CB  VAL B  74      69.961  70.911 -10.473  1.00 14.21     0.009 C 
-ATOM   2813  CG1 VAL B  74      68.818  70.805 -11.479  1.00 13.16     0.012 C 
-ATOM   2814  CG2 VAL B  74      69.575  70.316  -9.109  1.00 12.28     0.012 C 
-ATOM   2815  N   SER B  75      72.871  71.914 -10.169  1.00 13.73    -0.344 N 
-ATOM   2816  HN  SER B  75      72.573  72.460 -10.977  1.00  0.00     0.163 HD
-ATOM   2817  CA  SER B  75      73.781  72.527  -9.200  1.00 14.60     0.200 C 
-ATOM   2818  C   SER B  75      72.987  73.319  -8.152  1.00 14.87     0.243 C 
-ATOM   2819  O   SER B  75      72.126  74.117  -8.482  1.00 15.39    -0.271 OA
-ATOM   2820  CB  SER B  75      74.745  73.457  -9.925  1.00 14.58     0.199 C 
-ATOM   2821  OG  SER B  75      75.468  72.707 -10.872  1.00 14.15    -0.398 OA
-ATOM   2822  HG  SER B  75      76.069  73.287 -11.324  1.00  0.00     0.209 HD
-ATOM   2823  N   VAL B  76      73.280  73.097  -6.887  1.00 15.27    -0.346 N 
-ATOM   2824  HN  VAL B  76      74.075  72.498  -6.664  1.00  0.00     0.163 HD
-ATOM   2825  CA  VAL B  76      72.508  73.677  -5.792  1.00 15.22     0.180 C 
-ATOM   2826  C   VAL B  76      73.409  74.368  -4.777  1.00 15.66     0.243 C 
-ATOM   2827  O   VAL B  76      74.436  73.822  -4.404  1.00 15.09    -0.271 OA
-ATOM   2828  CB  VAL B  76      71.678  72.612  -5.057  1.00 15.78     0.009 C 
-ATOM   2829  CG1 VAL B  76      70.758  73.287  -4.023  1.00 14.09     0.012 C 
-ATOM   2830  CG2 VAL B  76      70.846  71.760  -6.051  1.00 14.05     0.012 C 
-ATOM   2831  N   PRO B  77      73.074  75.596  -4.368  1.00 16.58    -0.337 N 
-ATOM   2832  CA  PRO B  77      73.877  76.269  -3.345  1.00 16.71     0.179 C 
-ATOM   2833  C   PRO B  77      73.908  75.365  -2.112  1.00 16.52     0.241 C 
-ATOM   2834  O   PRO B  77      72.862  74.836  -1.753  1.00 16.53    -0.271 OA
-ATOM   2835  CB  PRO B  77      73.102  77.556  -3.046  1.00 16.74     0.037 C 
-ATOM   2836  CG  PRO B  77      72.200  77.783  -4.174  1.00 17.52     0.022 C 
-ATOM   2837  CD  PRO B  77      71.968  76.438  -4.867  1.00 16.42     0.127 C 
-ATOM   2838  N   ILE B  78      75.048  75.191  -1.466  1.00 17.08    -0.346 N 
-ATOM   2839  HN  ILE B  78      75.901  75.644  -1.793  1.00  0.00     0.163 HD
-ATOM   2840  CA  ILE B  78      75.072  74.334  -0.267  1.00 18.74     0.180 C 
-ATOM   2841  C   ILE B  78      74.250  74.870   0.903  1.00 19.69     0.241 C 
-ATOM   2842  O   ILE B  78      73.897  74.104   1.782  1.00 19.81    -0.271 OA
-ATOM   2843  CB  ILE B  78      76.504  74.008   0.205  1.00 19.23     0.013 C 
-ATOM   2844  CG1 ILE B  78      77.261  75.270   0.628  1.00 19.99     0.002 C 
-ATOM   2845  CG2 ILE B  78      77.266  73.277  -0.872  1.00 18.12     0.012 C 
-ATOM   2846  CD1 ILE B  78      78.521  74.927   1.515  1.00 23.14     0.005 C 
-ATOM   2847  N   SER B  79      73.951  76.187   0.917  1.00 19.72    -0.344 N 
-ATOM   2848  HN  SER B  79      74.382  76.798   0.223  1.00  0.00     0.163 HD
-ATOM   2849  CA  SER B  79      73.036  76.763   1.888  1.00 20.50     0.200 C 
-ATOM   2850  C   SER B  79      71.608  76.216   1.762  1.00 20.37     0.243 C 
-ATOM   2851  O   SER B  79      70.818  76.256   2.708  1.00 20.03    -0.271 OA
-ATOM   2852  CB  SER B  79      73.064  78.309   1.801  1.00 21.27     0.199 C 
-ATOM   2853  OG  SER B  79      72.442  78.771   0.596  1.00 23.90    -0.398 OA
-ATOM   2854  HG  SER B  79      72.459  79.719   0.543  1.00  0.00     0.209 HD
-ATOM   2855  N   SER B  80      71.266  75.658   0.611  1.00 20.08    -0.344 N 
-ATOM   2856  HN  SER B  80      71.902  75.691  -0.186  1.00  0.00     0.163 HD
-ATOM   2857  CA  SER B  80      69.981  75.000   0.493  1.00 20.41     0.200 C 
-ATOM   2858  C   SER B  80      70.029  73.485   0.799  1.00 20.12     0.243 C 
-ATOM   2859  O   SER B  80      69.022  72.787   0.668  1.00 20.62    -0.271 OA
-ATOM   2860  CB  SER B  80      69.413  75.245  -0.904  1.00 20.41     0.199 C 
-ATOM   2861  OG  SER B  80      69.083  76.641  -1.003  1.00 24.00    -0.398 OA
-ATOM   2862  HG  SER B  80      68.730  76.793  -1.872  1.00  0.00     0.209 HD
-ATOM   2863  N   LEU B  81      71.192  72.970   1.160  1.00 19.15    -0.346 N 
-ATOM   2864  HN  LEU B  81      71.995  73.580   1.312  1.00  0.00     0.163 HD
-ATOM   2865  CA  LEU B  81      71.328  71.511   1.343  1.00 19.48     0.177 C 
-ATOM   2866  C   LEU B  81      71.823  71.200   2.735  1.00 18.19     0.241 C 
-ATOM   2867  O   LEU B  81      72.608  71.974   3.272  1.00 17.19    -0.271 OA
-ATOM   2868  CB  LEU B  81      72.386  70.953   0.369  1.00 19.93     0.038 C 
-ATOM   2869  CG  LEU B  81      72.100  70.968  -1.131  1.00 21.25    -0.020 C 
-ATOM   2870  CD1 LEU B  81      73.161  70.210  -1.827  1.00 21.83     0.009 C 
-ATOM   2871  CD2 LEU B  81      70.754  70.391  -1.410  1.00 23.96     0.009 C 
-ATOM   2872  N   TRP B  82      71.448  70.042   3.294  1.00 17.57    -0.346 N 
-ATOM   2873  HN  TRP B  82      70.623  69.541   2.964  1.00  0.00     0.163 HD
-ATOM   2874  CA  TRP B  82      72.268  69.512   4.406  1.00 16.85     0.181 C 
-ATOM   2875  C   TRP B  82      73.619  69.070   3.875  1.00 17.04     0.241 C 
-ATOM   2876  O   TRP B  82      73.691  68.432   2.834  1.00 17.07    -0.271 OA
-ATOM   2877  CB  TRP B  82      71.616  68.349   5.104  1.00 16.26     0.075 C 
-ATOM   2878  CG  TRP B  82      72.490  67.754   6.211  1.00 16.49    -0.028 A 
-ATOM   2879  CD1 TRP B  82      72.556  68.155   7.506  1.00 15.42     0.096 A 
-ATOM   2880  CD2 TRP B  82      73.403  66.660   6.084  1.00 15.42    -0.002 A 
-ATOM   2881  CE2 TRP B  82      73.973  66.432   7.362  1.00 16.58     0.042 A 
-ATOM   2882  CE3 TRP B  82      73.774  65.812   5.019  1.00 14.95     0.014 A 
-ATOM   2883  NE1 TRP B  82      73.441  67.360   8.215  1.00 16.08    -0.365 N 
-ATOM   2884  HE1 TRP B  82      73.660  67.451   9.207  1.00  0.00     0.165 HD
-ATOM   2885  CZ2 TRP B  82      74.899  65.394   7.611  1.00 15.04     0.030 A 
-ATOM   2886  CZ3 TRP B  82      74.696  64.780   5.260  1.00 15.22     0.001 A 
-ATOM   2887  CH2 TRP B  82      75.238  64.569   6.551  1.00 15.53     0.002 A 
-ATOM   2888  N   VAL B  83      74.674  69.353   4.628  1.00 17.43    -0.346 N 
-ATOM   2889  HN  VAL B  83      74.518  69.827   5.518  1.00  0.00     0.163 HD
-ATOM   2890  CA  VAL B  83      76.052  69.021   4.251  1.00 18.09     0.180 C 
-ATOM   2891  C   VAL B  83      76.693  68.441   5.504  1.00 18.26     0.243 C 
-ATOM   2892  O   VAL B  83      76.383  68.888   6.632  1.00 17.44    -0.271 OA
-ATOM   2893  CB  VAL B  83      76.817  70.293   3.733  1.00 18.66     0.009 C 
-ATOM   2894  CG1 VAL B  83      78.289  70.141   3.780  1.00 19.97     0.012 C 
-ATOM   2895  CG2 VAL B  83      76.389  70.631   2.285  1.00 18.84     0.012 C 
-ATOM   2896  N   PRO B  84      77.503  67.395   5.346  1.00 17.91    -0.337 N 
-ATOM   2897  CA  PRO B  84      78.148  66.788   6.513  1.00 18.22     0.179 A 
-ATOM   2898  C   PRO B  84      79.066  67.789   7.192  1.00 17.62     0.241 C 
-ATOM   2899  O   PRO B  84      79.729  68.552   6.514  1.00 17.74    -0.271 OA
-ATOM   2900  CB  PRO B  84      78.945  65.580   5.949  1.00 18.19     0.037 A 
-ATOM   2901  CG  PRO B  84      78.646  65.507   4.450  1.00 18.60     0.022 A 
-ATOM   2902  CD  PRO B  84      77.819  66.705   4.082  1.00 18.23     0.127 A 
-ATOM   2903  N   ASP B  85      79.086  67.782   8.521  1.00 16.94    -0.346 N 
-ATOM   2904  HN  ASP B  85      78.510  67.097   9.010  1.00  0.00     0.163 HD
-ATOM   2905  CA  ASP B  85      79.891  68.706   9.317  1.00 16.89     0.186 C 
-ATOM   2906  C   ASP B  85      81.328  68.138   9.464  1.00 16.82     0.241 C 
-ATOM   2907  O   ASP B  85      81.812  67.896  10.567  1.00 16.08    -0.271 OA
-ATOM   2908  CB  ASP B  85      79.226  68.941  10.668  1.00 15.93     0.147 C 
-ATOM   2909  CG  ASP B  85      79.168  67.677  11.513  1.00 18.42     0.175 C 
-ATOM   2910  OD1 ASP B  85      79.087  66.548  10.904  1.00 17.85    -0.648 OA
-ATOM   2911  OD2 ASP B  85      79.237  67.699  12.759  1.00 18.90    -0.648 OA
-ATOM   2912  N   LEU B  86      81.997  67.930   8.341  1.00 15.87    -0.346 N 
-ATOM   2913  HN  LEU B  86      81.539  68.101   7.446  1.00  0.00     0.163 HD
-ATOM   2914  CA  LEU B  86      83.363  67.466   8.362  1.00 16.13     0.177 C 
-ATOM   2915  C   LEU B  86      84.393  68.458   8.878  1.00 17.08     0.241 C 
-ATOM   2916  O   LEU B  86      84.409  69.685   8.532  1.00 16.65    -0.271 OA
-ATOM   2917  CB  LEU B  86      83.775  66.982   6.958  1.00 16.27     0.038 C 
-ATOM   2918  CG  LEU B  86      82.935  65.808   6.432  1.00 16.66    -0.020 C 
-ATOM   2919  CD1 LEU B  86      83.498  65.306   5.109  1.00 17.58     0.009 C 
-ATOM   2920  CD2 LEU B  86      82.822  64.645   7.429  1.00 15.05     0.009 C 
-ATOM   2921  N   ALA B  87      85.332  67.941   9.657  1.00 16.82    -0.346 N 
-ATOM   2922  HN  ALA B  87      85.283  66.971   9.970  1.00  0.00     0.163 HD
-ATOM   2923  CA  ALA B  87      86.446  68.811  10.055  1.00 16.82     0.172 C 
-ATOM   2924  C   ALA B  87      87.771  68.075   9.984  1.00 17.04     0.240 C 
-ATOM   2925  O   ALA B  87      87.826  66.855  10.235  1.00 16.53    -0.271 OA
-ATOM   2926  CB  ALA B  87      86.199  69.363  11.448  1.00 16.31     0.042 C 
-ATOM   2927  N   ALA B  88      88.853  68.789   9.646  1.00 17.18    -0.346 N 
-ATOM   2928  HN  ALA B  88      88.750  69.751   9.323  1.00  0.00     0.163 HD
-ATOM   2929  CA  ALA B  88      90.188  68.184   9.741  1.00 16.51     0.172 C 
-ATOM   2930  C   ALA B  88      90.689  68.422  11.141  1.00 17.33     0.240 C 
-ATOM   2931  O   ALA B  88      90.851  69.584  11.554  1.00 16.94    -0.271 OA
-ATOM   2932  CB  ALA B  88      91.126  68.799   8.737  1.00 17.01     0.042 C 
-ATOM   2933  N   TYR B  89      90.937  67.326  11.883  1.00 16.59    -0.346 N 
-ATOM   2934  HN  TYR B  89      90.880  66.407  11.445  1.00  0.00     0.163 HD
-ATOM   2935  CA  TYR B  89      91.287  67.418  13.305  1.00 16.87     0.180 C 
-ATOM   2936  C   TYR B  89      92.673  68.055  13.559  1.00 16.71     0.241 C 
-ATOM   2937  O   TYR B  89      92.950  68.521  14.667  1.00 16.91    -0.271 OA
-ATOM   2938  CB  TYR B  89      91.301  66.027  13.947  1.00 16.59     0.073 C 
-ATOM   2939  CG  TYR B  89      89.939  65.513  14.318  1.00 17.48    -0.056 A 
-ATOM   2940  CD1 TYR B  89      88.951  65.347  13.364  1.00 18.36     0.010 A 
-ATOM   2941  CD2 TYR B  89      89.647  65.185  15.630  1.00 18.18     0.010 A 
-ATOM   2942  CE1 TYR B  89      87.704  64.868  13.698  1.00 21.05     0.037 A 
-ATOM   2943  CE2 TYR B  89      88.404  64.705  15.993  1.00 19.22     0.037 A 
-ATOM   2944  CZ  TYR B  89      87.430  64.554  15.015  1.00 22.38     0.065 A 
-ATOM   2945  OH  TYR B  89      86.156  64.093  15.322  1.00 24.69    -0.361 OA
-ATOM   2946  HH  TYR B  89      85.968  63.877  16.228  1.00  0.00     0.217 HD
-ATOM   2947  N   ASN B  90      93.562  67.974  12.584  1.00 15.17    -0.346 N 
-ATOM   2948  HN  ASN B  90      93.324  67.511  11.707  1.00  0.00     0.163 HD
-ATOM   2949  CA  ASN B  90      94.897  68.558  12.777  1.00 15.57     0.185 C 
-ATOM   2950  C   ASN B  90      95.079  69.885  12.027  1.00 14.83     0.241 C 
-ATOM   2951  O   ASN B  90      96.201  70.368  11.894  1.00 14.31    -0.271 OA
-ATOM   2952  CB  ASN B  90      96.048  67.572  12.467  1.00 14.83     0.137 C 
-ATOM   2953  CG  ASN B  90      95.946  66.958  11.100  1.00 16.00     0.217 C 
-ATOM   2954  ND2 ASN B  90      97.087  66.765  10.456  1.00 14.13    -0.370 N 
-ATOM   2955 1HD2 ASN B  90      97.991  67.022  10.853  1.00  0.00     0.159 HD
-ATOM   2956 2HD2 ASN B  90      97.018  66.348   9.528  1.00  0.00     0.159 HD
-ATOM   2957  OD1 ASN B  90      94.845  66.645  10.617  1.00 16.19    -0.274 OA
-ATOM   2958  N   ALA B  91      93.968  70.465  11.583  1.00 14.11    -0.346 N 
-ATOM   2959  HN  ALA B  91      93.070  70.002  11.724  1.00  0.00     0.163 HD
-ATOM   2960  CA  ALA B  91      94.010  71.770  10.888  1.00 14.79     0.172 C 
-ATOM   2961  C   ALA B  91      94.376  72.876  11.899  1.00 14.57     0.240 C 
-ATOM   2962  O   ALA B  91      93.886  72.890  13.020  1.00 13.47    -0.271 OA
-ATOM   2963  CB  ALA B  91      92.667  72.104  10.225  1.00 14.54     0.042 C 
-ATOM   2964  N   ILE B  92      95.211  73.807  11.469  1.00 14.82    -0.346 N 
-ATOM   2965  HN  ILE B  92      95.609  73.733  10.533  1.00  0.00     0.163 HD
-ATOM   2966  CA  ILE B  92      95.570  74.939  12.317  1.00 15.80     0.180 C 
-ATOM   2967  C   ILE B  92      95.142  76.272  11.659  1.00 16.47     0.241 C 
-ATOM   2968  O   ILE B  92      95.515  77.362  12.103  1.00 16.07    -0.271 OA
-ATOM   2969  CB  ILE B  92      97.091  74.872  12.613  1.00 16.40     0.013 C 
-ATOM   2970  CG1 ILE B  92      97.896  74.885  11.313  1.00 15.62     0.002 C 
-ATOM   2971  CG2 ILE B  92      97.415  73.586  13.484  1.00 15.41     0.012 C 
-ATOM   2972  CD1 ILE B  92      99.393  75.145  11.534  1.00 15.63     0.005 C 
-ATOM   2973  N   SER B  93      94.383  76.179  10.569  1.00 16.79    -0.344 N 
-ATOM   2974  HN  SER B  93      94.279  75.279  10.101  1.00  0.00     0.163 HD
-ATOM   2975  CA  SER B  93      93.699  77.353  10.038  1.00 18.37     0.200 C 
-ATOM   2976  C   SER B  93      92.296  76.926   9.671  1.00 19.10     0.243 C 
-ATOM   2977  O   SER B  93      92.048  75.734   9.486  1.00 19.05    -0.271 OA
-ATOM   2978  CB  SER B  93      94.452  77.939   8.837  1.00 18.15     0.199 C 
-ATOM   2979  OG  SER B  93      94.372  77.069   7.710  1.00 18.34    -0.398 OA
-ATOM   2980  HG  SER B  93      94.838  77.432   6.966  1.00  0.00     0.209 HD
-ATOM   2981  N   LYS B  94      91.345  77.847   9.575  1.00 21.26    -0.346 N 
-ATOM   2982  HN  LYS B  94      91.537  78.827   9.783  1.00  0.00     0.163 HD
-ATOM   2983  CA  LYS B  94      89.997  77.404   9.156  1.00 22.94     0.176 C 
-ATOM   2984  C   LYS B  94      89.985  77.232   7.641  1.00 22.54     0.243 C 
-ATOM   2985  O   LYS B  94      90.673  77.966   6.967  1.00 23.25    -0.271 OA
-ATOM   2986  CB  LYS B  94      88.862  78.340   9.674  1.00 23.40     0.035 C 
-ATOM   2987  CG  LYS B  94      88.881  79.779   9.140  1.00 26.14     0.004 C 
-ATOM   2988  CD  LYS B  94      88.343  80.783  10.151  1.00 27.37     0.027 C 
-ATOM   2989  CE  LYS B  94      86.840  80.668  10.314  1.00 32.50     0.229 C 
-ATOM   2990  NZ  LYS B  94      86.305  81.778  11.227  1.00 33.01    -0.079 N 
-ATOM   2991  HZ1 LYS B  94      85.294  81.701  11.337  1.00  0.00     0.274 HD
-ATOM   2992  HZ2 LYS B  94      86.579  82.703  10.897  1.00  0.00     0.274 HD
-ATOM   2993  HZ3 LYS B  94      86.783  81.789  12.128  1.00  0.00     0.274 HD
-ATOM   2994  N   PRO B  95      89.237  76.257   7.099  1.00 23.53    -0.337 N 
-ATOM   2995  CA  PRO B  95      89.286  75.979   5.643  1.00 22.75     0.179 C 
-ATOM   2996  C   PRO B  95      88.917  77.244   4.803  1.00 23.30     0.241 C 
-ATOM   2997  O   PRO B  95      87.921  77.928   5.090  1.00 22.99    -0.271 OA
-ATOM   2998  CB  PRO B  95      88.260  74.862   5.446  1.00 22.17     0.037 C 
-ATOM   2999  CG  PRO B  95      87.389  74.895   6.681  1.00 22.39     0.022 C 
-ATOM   3000  CD  PRO B  95      88.257  75.400   7.799  1.00 22.16     0.127 C 
-ATOM   3001  N   GLU B  96      89.779  77.566   3.840  1.00 22.32    -0.346 N 
-ATOM   3002  HN  GLU B  96      90.641  77.026   3.768  1.00  0.00     0.163 HD
-ATOM   3003  CA  GLU B  96      89.565  78.642   2.885  1.00 22.66     0.177 C 
-ATOM   3004  C   GLU B  96      89.028  77.951   1.616  1.00 21.44     0.241 C 
-ATOM   3005  O   GLU B  96      89.742  77.229   0.947  1.00 21.39    -0.271 OA
-ATOM   3006  CB  GLU B  96      90.914  79.367   2.640  1.00 23.46     0.045 C 
-ATOM   3007  CG  GLU B  96      90.882  80.669   1.813  1.00 28.26     0.116 C 
-ATOM   3008  CD  GLU B  96      92.270  81.330   1.651  1.00 35.18     0.172 C 
-ATOM   3009  OE1 GLU B  96      93.142  81.157   2.549  1.00 38.36    -0.648 OA
-ATOM   3010  OE2 GLU B  96      92.529  82.047   0.631  1.00 38.93    -0.648 OA
-ATOM   3011  N   VAL B  97      87.741  78.113   1.348  1.00 20.29    -0.346 N 
-ATOM   3012  HN  VAL B  97      87.165  78.630   2.012  1.00  0.00     0.163 HD
-ATOM   3013  CA  VAL B  97      87.116  77.585   0.147  1.00 19.41     0.180 C 
-ATOM   3014  C   VAL B  97      87.402  78.507  -1.066  1.00 19.23     0.241 C 
-ATOM   3015  O   VAL B  97      87.056  79.668  -1.062  1.00 18.55    -0.271 OA
-ATOM   3016  CB  VAL B  97      85.602  77.441   0.352  1.00 19.65     0.009 C 
-ATOM   3017  CG1 VAL B  97      84.965  76.863  -0.887  1.00 18.82     0.012 C 
-ATOM   3018  CG2 VAL B  97      85.277  76.549   1.581  1.00 18.44     0.012 C 
-ATOM   3019  N   LEU B  98      88.054  77.979  -2.081  1.00 18.75    -0.346 N 
-ATOM   3020  HN  LEU B  98      88.287  76.986  -2.070  1.00  0.00     0.163 HD
-ATOM   3021  CA  LEU B  98      88.446  78.800  -3.220  1.00 18.70     0.177 C 
-ATOM   3022  C   LEU B  98      87.440  78.807  -4.383  1.00 18.45     0.241 C 
-ATOM   3023  O   LEU B  98      87.593  79.584  -5.322  1.00 19.04    -0.271 OA
-ATOM   3024  CB  LEU B  98      89.848  78.379  -3.730  1.00 18.85     0.038 C 
-ATOM   3025  CG  LEU B  98      90.938  78.112  -2.693  1.00 19.60    -0.020 C 
-ATOM   3026  CD1 LEU B  98      92.158  77.525  -3.363  1.00 18.86     0.009 C 
-ATOM   3027  CD2 LEU B  98      91.309  79.396  -1.995  1.00 20.06     0.009 C 
-ATOM   3028  N   THR B  99      86.420  77.958  -4.318  1.00 17.72    -0.344 N 
-ATOM   3029  HN  THR B  99      86.262  77.437  -3.456  1.00  0.00     0.163 HD
-ATOM   3030  CA  THR B  99      85.529  77.754  -5.437  1.00 17.87     0.205 C 
-ATOM   3031  C   THR B  99      84.092  78.101  -5.079  1.00 18.13     0.245 C 
-ATOM   3032  O   THR B  99      83.746  78.156  -3.898  1.00 18.16    -0.271 OA
-ATOM   3033  CB  THR B  99      85.590  76.262  -5.892  1.00 18.00     0.146 C 
-ATOM   3034  CG2 THR B  99      86.878  75.955  -6.644  1.00 16.35     0.042 C 
-ATOM   3035  OG1 THR B  99      85.657  75.426  -4.759  1.00 16.07    -0.393 OA
-ATOM   3036  HG1 THR B  99      84.853  75.618  -4.290  1.00  0.00     0.210 HD
-ATOM   3037  N   PRO B 100      83.248  78.328  -6.092  1.00 18.68    -0.337 N 
-ATOM   3038  CA  PRO B 100      81.810  78.529  -5.857  1.00 18.17     0.179 C 
-ATOM   3039  C   PRO B 100      81.188  77.399  -5.020  1.00 18.61     0.241 C 
-ATOM   3040  O   PRO B 100      81.400  76.208  -5.266  1.00 17.87    -0.271 OA
-ATOM   3041  CB  PRO B 100      81.227  78.539  -7.275  1.00 18.20     0.037 C 
-ATOM   3042  CG  PRO B 100      82.369  78.990  -8.142  1.00 18.69     0.022 C 
-ATOM   3043  CD  PRO B 100      83.593  78.438  -7.535  1.00 18.03     0.127 C 
-ATOM   3044  N   GLN B 101      80.403  77.783  -4.023  1.00 18.58    -0.346 N 
-ATOM   3045  HN  GLN B 101      80.145  78.766  -3.935  1.00  0.00     0.163 HD
-ATOM   3046  CA  GLN B 101      79.905  76.821  -3.053  1.00 19.30     0.177 C 
-ATOM   3047  C   GLN B 101      78.613  76.169  -3.513  1.00 18.70     0.241 C 
-ATOM   3048  O   GLN B 101      77.539  76.376  -2.932  1.00 18.61    -0.271 OA
-ATOM   3049  CB  GLN B 101      79.829  77.461  -1.673  1.00 19.57     0.044 C 
-ATOM   3050  CG  GLN B 101      81.231  77.696  -1.074  1.00 23.42     0.105 C 
-ATOM   3051  CD  GLN B 101      81.198  78.453   0.259  1.00 28.81     0.215 C 
-ATOM   3052  NE2 GLN B 101      81.957  79.548   0.336  1.00 29.15    -0.370 N 
-ATOM   3053 1HE2 GLN B 101      81.935  80.052   1.223  1.00  0.00     0.159 HD
-ATOM   3054 2HE2 GLN B 101      82.516  79.892  -0.445  1.00  0.00     0.159 HD
-ATOM   3055  OE1 GLN B 101      80.520  78.035   1.207  1.00 31.34    -0.274 OA
-ATOM   3056  N   LEU B 102      78.751  75.363  -4.571  1.00 17.96    -0.346 N 
-ATOM   3057  HN  LEU B 102      79.681  75.248  -4.975  1.00  0.00     0.163 HD
-ATOM   3058  CA  LEU B 102      77.637  74.639  -5.177  1.00 17.30     0.177 C 
-ATOM   3059  C   LEU B 102      77.874  73.130  -5.113  1.00 17.04     0.241 C 
-ATOM   3060  O   LEU B 102      79.008  72.650  -5.341  1.00 16.22    -0.271 OA
-ATOM   3061  CB  LEU B 102      77.477  75.065  -6.637  1.00 17.47     0.038 C 
-ATOM   3062  CG  LEU B 102      77.295  76.562  -6.984  1.00 20.21    -0.020 C 
-ATOM   3063  CD1 LEU B 102      77.224  76.773  -8.485  1.00 20.88     0.009 C 
-ATOM   3064  CD2 LEU B 102      76.097  77.138  -6.314  1.00 19.96     0.009 C 
-ATOM   3065  N   ALA B 103      76.811  72.393  -4.828  1.00 15.84    -0.346 N 
-ATOM   3066  HN  ALA B 103      75.943  72.849  -4.547  1.00  0.00     0.163 HD
-ATOM   3067  CA  ALA B 103      76.866  70.960  -4.910  1.00 16.39     0.172 C 
-ATOM   3068  C   ALA B 103      76.100  70.483  -6.174  1.00 16.67     0.240 C 
-ATOM   3069  O   ALA B 103      75.208  71.137  -6.674  1.00 16.94    -0.271 OA
-ATOM   3070  CB  ALA B 103      76.283  70.328  -3.655  1.00 15.72     0.042 C 
-ATOM   3071  N   ARG B 104      76.431  69.291  -6.621  1.00 16.37    -0.346 N 
-ATOM   3072  HN  ARG B 104      77.193  68.786  -6.169  1.00  0.00     0.163 HD
-ATOM   3073  CA  ARG B 104      75.747  68.679  -7.732  1.00 15.97     0.176 C 
-ATOM   3074  C   ARG B 104      74.813  67.635  -7.126  1.00 15.78     0.241 C 
-ATOM   3075  O   ARG B 104      75.217  66.805  -6.299  1.00 15.56    -0.271 OA
-ATOM   3076  CB  ARG B 104      76.783  68.103  -8.671  1.00 15.90     0.036 C 
-ATOM   3077  CG  ARG B 104      76.287  67.845 -10.053  1.00 18.11     0.023 C 
-ATOM   3078  CD  ARG B 104      76.074  69.063 -10.920  1.00 17.64     0.138 C 
-ATOM   3079  NE  ARG B 104      75.525  68.568 -12.174  1.00 16.39    -0.227 N 
-ATOM   3080  HE  ARG B 104      75.581  67.565 -12.351  1.00  0.00     0.177 HD
-ATOM   3081  CZ  ARG B 104      74.959  69.324 -13.100  1.00 17.38     0.665 C 
-ATOM   3082  NH1 ARG B 104      74.857  70.655 -12.954  1.00 13.65    -0.235 N 
-ATOM   3083 1HH1 ARG B 104      75.211  71.104 -12.109  1.00  0.00     0.174 HD
-ATOM   3084 2HH1 ARG B 104      74.421  71.238 -13.668  1.00  0.00     0.174 HD
-ATOM   3085  NH2 ARG B 104      74.501  68.742 -14.194  1.00 14.74    -0.235 N 
-ATOM   3086 1HH2 ARG B 104      74.578  67.731 -14.305  1.00  0.00     0.174 HD
-ATOM   3087 2HH2 ARG B 104      74.065  69.325 -14.908  1.00  0.00     0.174 HD
-ATOM   3088  N   VAL B 105      73.532  67.740  -7.467  1.00 15.23    -0.346 N 
-ATOM   3089  HN  VAL B 105      73.256  68.457  -8.138  1.00  0.00     0.163 HD
-ATOM   3090  CA  VAL B 105      72.518  66.869  -6.917  1.00 14.36     0.180 C 
-ATOM   3091  C   VAL B 105      71.844  66.103  -8.051  1.00 14.79     0.241 C 
-ATOM   3092  O   VAL B 105      71.298  66.722  -8.975  1.00 14.43    -0.271 OA
-ATOM   3093  CB  VAL B 105      71.455  67.682  -6.175  1.00 14.64     0.009 C 
-ATOM   3094  CG1 VAL B 105      70.333  66.775  -5.602  1.00 14.17     0.012 C 
-ATOM   3095  CG2 VAL B 105      72.078  68.557  -5.045  1.00 14.43     0.012 C 
-ATOM   3096  N   VAL B 106      71.848  64.770  -7.941  1.00 14.42    -0.346 N 
-ATOM   3097  HN  VAL B 106      72.303  64.358  -7.127  1.00  0.00     0.163 HD
-ATOM   3098  CA  VAL B 106      71.246  63.879  -8.906  1.00 14.28     0.180 C 
-ATOM   3099  C   VAL B 106      69.818  63.583  -8.497  1.00 14.41     0.241 C 
-ATOM   3100  O   VAL B 106      69.484  63.672  -7.330  1.00 14.13    -0.271 OA
-ATOM   3101  CB  VAL B 106      72.076  62.574  -9.048  1.00 14.85     0.009 C 
-ATOM   3102  CG1 VAL B 106      71.525  61.661 -10.176  1.00 13.25     0.012 C 
-ATOM   3103  CG2 VAL B 106      73.557  62.911  -9.304  1.00 14.95     0.012 C 
-ATOM   3104  N   SER B 107      68.960  63.228  -9.455  1.00 14.52    -0.344 N 
-ATOM   3105  HN  SER B 107      69.303  63.103 -10.407  1.00  0.00     0.163 HD
-ATOM   3106  CA  SER B 107      67.541  63.014  -9.176  1.00 15.22     0.200 C 
-ATOM   3107  C   SER B 107      67.215  61.861  -8.196  1.00 15.68     0.243 C 
-ATOM   3108  O   SER B 107      66.089  61.771  -7.694  1.00 15.07    -0.271 OA
-ATOM   3109  CB  SER B 107      66.730  62.817 -10.468  1.00 15.09     0.199 C 
-ATOM   3110  OG  SER B 107      67.083  61.630 -11.134  1.00 14.38    -0.398 OA
-ATOM   3111  HG  SER B 107      66.582  61.508 -11.932  1.00  0.00     0.209 HD
-ATOM   3112  N   ASP B 108      68.179  60.987  -7.930  1.00 16.44    -0.345 N 
-ATOM   3113  HN  ASP B 108      69.077  61.054  -8.409  1.00  0.00     0.163 HD
-ATOM   3114  CA  ASP B 108      67.947  59.923  -6.944  1.00 17.93     0.186 C 
-ATOM   3115  C   ASP B 108      68.363  60.376  -5.533  1.00 17.64     0.241 C 
-ATOM   3116  O   ASP B 108      68.258  59.622  -4.581  1.00 17.45    -0.271 OA
-ATOM   3117  CB  ASP B 108      68.637  58.607  -7.330  1.00 18.07     0.147 C 
-ATOM   3118  CG  ASP B 108      70.162  58.741  -7.447  1.00 21.27     0.175 C 
-ATOM   3119  OD1 ASP B 108      70.733  59.834  -7.189  1.00 23.20    -0.648 OA
-ATOM   3120  OD2 ASP B 108      70.883  57.791  -7.815  1.00 24.55    -0.648 OA
-ATOM   3121  N   GLY B 109      68.851  61.608  -5.414  1.00 17.65    -0.351 N 
-ATOM   3122  HN  GLY B 109      68.955  62.199  -6.239  1.00  0.00     0.163 HD
-ATOM   3123  CA  GLY B 109      69.233  62.107  -4.115  1.00 17.50     0.225 C 
-ATOM   3124  C   GLY B 109      70.724  62.058  -3.843  1.00 17.61     0.236 C 
-ATOM   3125  O   GLY B 109      71.135  62.484  -2.767  1.00 17.62    -0.272 OA
-ATOM   3126  N   GLU B 110      71.528  61.580  -4.803  1.00 17.62    -0.346 N 
-ATOM   3127  HN  GLU B 110      71.120  61.230  -5.670  1.00  0.00     0.163 HD
-ATOM   3128  CA  GLU B 110      73.001  61.551  -4.627  1.00 18.46     0.177 C 
-ATOM   3129  C   GLU B 110      73.551  62.951  -4.749  1.00 17.32     0.241 C 
-ATOM   3130  O   GLU B 110      73.154  63.712  -5.629  1.00 17.27    -0.271 OA
-ATOM   3131  CB  GLU B 110      73.721  60.646  -5.657  1.00 18.81     0.045 C 
-ATOM   3132  CG  GLU B 110      73.477  59.145  -5.533  1.00 24.20     0.116 C 
-ATOM   3133  CD  GLU B 110      73.874  58.584  -4.175  1.00 31.33     0.172 C 
-ATOM   3134  OE1 GLU B 110      75.026  58.845  -3.688  1.00 33.50    -0.648 OA
-ATOM   3135  OE2 GLU B 110      73.001  57.897  -3.589  1.00 34.34    -0.648 OA
-ATOM   3136  N   VAL B 111      74.463  63.296  -3.864  1.00 16.62    -0.346 N 
-ATOM   3137  HN  VAL B 111      74.776  62.612  -3.175  1.00  0.00     0.163 HD
-ATOM   3138  CA  VAL B 111      75.028  64.624  -3.851  1.00 15.63     0.180 C 
-ATOM   3139  C   VAL B 111      76.523  64.507  -3.962  1.00 15.92     0.241 C 
-ATOM   3140  O   VAL B 111      77.113  63.643  -3.334  1.00 15.21    -0.271 OA
-ATOM   3141  CB  VAL B 111      74.690  65.409  -2.511  1.00 15.91     0.009 C 
-ATOM   3142  CG1 VAL B 111      75.211  66.854  -2.571  1.00 15.14     0.012 C 
-ATOM   3143  CG2 VAL B 111      73.204  65.350  -2.165  1.00 13.60     0.012 C 
-ATOM   3144  N   LEU B 112      77.131  65.404  -4.745  1.00 16.09    -0.346 N 
-ATOM   3145  HN  LEU B 112      76.546  66.008  -5.322  1.00  0.00     0.163 HD
-ATOM   3146  CA  LEU B 112      78.571  65.573  -4.827  1.00 16.34     0.177 C 
-ATOM   3147  C   LEU B 112      78.886  67.030  -4.516  1.00 16.45     0.241 C 
-ATOM   3148  O   LEU B 112      78.415  67.930  -5.219  1.00 15.50    -0.271 OA
-ATOM   3149  CB  LEU B 112      79.078  65.238  -6.226  1.00 16.57     0.038 C 
-ATOM   3150  CG  LEU B 112      80.551  65.550  -6.564  1.00 18.63    -0.020 C 
-ATOM   3151  CD1 LEU B 112      81.550  64.790  -5.707  1.00 16.38     0.009 C 
-ATOM   3152  CD2 LEU B 112      80.814  65.233  -8.043  1.00 19.85     0.009 C 
-ATOM   3153  N   TYR B 113      79.669  67.239  -3.470  1.00 16.40    -0.346 N 
-ATOM   3154  HN  TYR B 113      79.929  66.444  -2.886  1.00  0.00     0.163 HD
-ATOM   3155  CA  TYR B 113      80.174  68.560  -3.121  1.00 17.31     0.180 C 
-ATOM   3156  C   TYR B 113      81.689  68.437  -3.147  1.00 17.16     0.241 C 
-ATOM   3157  O   TYR B 113      82.237  67.619  -2.418  1.00 17.47    -0.271 OA
-ATOM   3158  CB  TYR B 113      79.664  69.015  -1.750  1.00 17.28     0.073 C 
-ATOM   3159  CG  TYR B 113      80.169  70.389  -1.364  1.00 18.98    -0.056 A 
-ATOM   3160  CD1 TYR B 113      80.190  71.434  -2.295  1.00 19.90     0.010 A 
-ATOM   3161  CD2 TYR B 113      80.658  70.634  -0.101  1.00 20.29     0.010 A 
-ATOM   3162  CE1 TYR B 113      80.678  72.698  -1.962  1.00 21.71     0.037 A 
-ATOM   3163  CE2 TYR B 113      81.116  71.920   0.266  1.00 19.88     0.037 A 
-ATOM   3164  CZ  TYR B 113      81.136  72.934  -0.678  1.00 22.69     0.065 A 
-ATOM   3165  OH  TYR B 113      81.627  74.210  -0.331  1.00 26.65    -0.361 OA
-ATOM   3166  HH  TYR B 113      81.941  74.372   0.551  1.00  0.00     0.217 HD
-ATOM   3167  N   MET B 114      82.351  69.177  -4.035  1.00 16.65    -0.346 N 
-ATOM   3168  HN  MET B 114      81.827  69.840  -4.606  1.00  0.00     0.163 HD
-ATOM   3169  CA  MET B 114      83.791  69.079  -4.224  1.00 16.95     0.177 C 
-ATOM   3170  C   MET B 114      84.498  70.453  -4.221  1.00 16.76     0.243 C 
-ATOM   3171  O   MET B 114      85.000  70.891  -5.263  1.00 16.23    -0.271 OA
-ATOM   3172  CB  MET B 114      84.105  68.302  -5.522  1.00 17.82     0.045 C 
-ATOM   3173  CG  MET B 114      85.618  67.918  -5.676  1.00 20.29     0.076 C 
-ATOM   3174  SD  MET B 114      85.974  66.579  -6.955  1.00 27.05    -0.173 SA
-ATOM   3175  CE  MET B 114      84.389  66.269  -7.400  1.00 26.64     0.089 C 
-ATOM   3176  N   PRO B 115      84.553  71.130  -3.071  1.00 16.23    -0.337 N 
-ATOM   3177  CA  PRO B 115      85.209  72.457  -3.004  1.00 16.48     0.179 C 
-ATOM   3178  C   PRO B 115      86.744  72.334  -3.126  1.00 16.61     0.241 C 
-ATOM   3179  O   PRO B 115      87.295  71.338  -2.675  1.00 16.48    -0.271 OA
-ATOM   3180  CB  PRO B 115      84.858  72.962  -1.603  1.00 16.27     0.037 C 
-ATOM   3181  CG  PRO B 115      84.635  71.670  -0.747  1.00 15.73     0.022 C 
-ATOM   3182  CD  PRO B 115      84.028  70.704  -1.761  1.00 16.53     0.127 C 
-ATOM   3183  N   SER B 116      87.395  73.314  -3.736  1.00 16.21    -0.344 N 
-ATOM   3184  HN  SER B 116      86.881  73.961  -4.334  1.00  0.00     0.163 HD
-ATOM   3185  CA  SER B 116      88.832  73.482  -3.567  1.00 16.71     0.200 C 
-ATOM   3186  C   SER B 116      89.116  74.238  -2.259  1.00 16.54     0.243 C 
-ATOM   3187  O   SER B 116      88.585  75.334  -2.042  1.00 16.93    -0.271 OA
-ATOM   3188  CB  SER B 116      89.420  74.251  -4.745  1.00 16.82     0.199 C 
-ATOM   3189  OG  SER B 116      90.855  74.244  -4.638  1.00 18.90    -0.398 OA
-ATOM   3190  HG  SER B 116      91.221  74.723  -5.372  1.00  0.00     0.209 HD
-ATOM   3191  N   ILE B 117      89.975  73.673  -1.420  1.00 16.94    -0.346 N 
-ATOM   3192  HN  ILE B 117      90.489  72.851  -1.737  1.00  0.00     0.163 HD
-ATOM   3193  CA  ILE B 117      90.222  74.158  -0.082  1.00 17.38     0.180 C 
-ATOM   3194  C   ILE B 117      91.716  74.426   0.092  1.00 17.68     0.241 C 
-ATOM   3195  O   ILE B 117      92.584  73.593  -0.327  1.00 17.56    -0.271 OA
-ATOM   3196  CB  ILE B 117      89.714  73.129   0.950  1.00 17.88     0.013 C 
-ATOM   3197  CG1 ILE B 117      88.170  73.089   0.890  1.00 19.61     0.002 C 
-ATOM   3198  CG2 ILE B 117      90.211  73.481   2.340  1.00 17.23     0.012 C 
-ATOM   3199  CD1 ILE B 117      87.525  72.399   1.982  1.00 20.45     0.005 C 
-ATOM   3200  N   ARG B 118      92.015  75.587   0.651  1.00 16.88    -0.346 N 
-ATOM   3201  HN  ARG B 118      91.284  76.289   0.769  1.00  0.00     0.163 HD
-ATOM   3202  CA  ARG B 118      93.360  75.881   1.099  1.00 17.58     0.176 C 
-ATOM   3203  C   ARG B 118      93.332  75.846   2.630  1.00 17.19     0.241 C 
-ATOM   3204  O   ARG B 118      92.463  76.423   3.260  1.00 16.98    -0.271 OA
-ATOM   3205  CB  ARG B 118      93.881  77.237   0.552  1.00 17.57     0.036 C 
-ATOM   3206  CG  ARG B 118      95.304  77.502   0.993  1.00 19.45     0.023 C 
-ATOM   3207  CD  ARG B 118      95.864  78.872   0.624  1.00 23.00     0.138 C 
-ATOM   3208  NE  ARG B 118      97.278  78.982   1.021  1.00 26.75    -0.227 N 
-ATOM   3209  HE  ARG B 118      97.569  78.488   1.865  1.00  0.00     0.177 HD
-ATOM   3210  CZ  ARG B 118      98.212  79.679   0.362  1.00 28.20     0.665 C 
-ATOM   3211  NH1 ARG B 118      97.901  80.375  -0.741  1.00 28.31    -0.235 N 
-ATOM   3212 1HH1 ARG B 118      98.613  80.906  -1.243  1.00  0.00     0.174 HD
-ATOM   3213 2HH1 ARG B 118      96.943  80.343  -1.090  1.00  0.00     0.174 HD
-ATOM   3214  NH2 ARG B 118      99.455  79.720   0.815  1.00 28.00    -0.235 N 
-ATOM   3215 1HH2 ARG B 118     100.167  80.251   0.313  1.00  0.00     0.174 HD
-ATOM   3216 2HH2 ARG B 118      99.692  79.191   1.654  1.00  0.00     0.174 HD
-ATOM   3217  N   GLN B 119      94.218  75.081   3.235  1.00 16.83    -0.346 N 
-ATOM   3218  HN  GLN B 119      94.912  74.566   2.693  1.00  0.00     0.163 HD
-ATOM   3219  CA  GLN B 119      94.194  74.980   4.679  1.00 16.01     0.177 C 
-ATOM   3220  C   GLN B 119      95.585  74.677   5.168  1.00 15.86     0.241 C 
-ATOM   3221  O   GLN B 119      96.410  74.164   4.418  1.00 16.26    -0.271 OA
-ATOM   3222  CB  GLN B 119      93.174  73.899   5.092  1.00 16.64     0.044 C 
-ATOM   3223  CG  GLN B 119      92.787  73.928   6.560  1.00 16.94     0.105 C 
-ATOM   3224  CD  GLN B 119      91.519  73.128   6.858  1.00 18.16     0.215 C 
-ATOM   3225  NE2 GLN B 119      90.808  73.554   7.891  1.00 17.94    -0.370 N 
-ATOM   3226 1HE2 GLN B 119      91.088  74.356   8.456  1.00  0.00     0.159 HD
-ATOM   3227 2HE2 GLN B 119      89.962  73.020   8.090  1.00  0.00     0.159 HD
-ATOM   3228  OE1 GLN B 119      91.173  72.136   6.159  1.00 20.12    -0.274 OA
-ATOM   3229  N   ARG B 120      95.853  74.990   6.424  1.00 14.85    -0.346 N 
-ATOM   3230  HN  ARG B 120      95.133  75.427   7.000  1.00  0.00     0.163 HD
-ATOM   3231  CA  ARG B 120      97.165  74.718   6.994  1.00 15.43     0.176 C 
-ATOM   3232  C   ARG B 120      97.063  73.555   8.041  1.00 14.90     0.241 C 
-ATOM   3233  O   ARG B 120      96.065  73.398   8.701  1.00 13.66    -0.271 OA
-ATOM   3234  CB  ARG B 120      97.782  76.029   7.556  1.00 16.10     0.036 C 
-ATOM   3235  CG  ARG B 120      98.196  77.049   6.456  1.00 18.62     0.023 C 
-ATOM   3236  CD  ARG B 120      98.689  78.461   6.945  1.00 22.33     0.138 C 
-ATOM   3237  NE  ARG B 120      97.551  79.383   7.148  1.00 25.76    -0.227 N 
-ATOM   3238  HE  ARG B 120      96.889  79.488   6.379  1.00  0.00     0.177 HD
-ATOM   3239  CZ  ARG B 120      97.321  80.090   8.260  1.00 29.18     0.665 C 
-ATOM   3240  NH1 ARG B 120      98.160  80.016   9.292  1.00 28.87    -0.235 N 
-ATOM   3241 1HH1 ARG B 120      97.985  80.555  10.140  1.00  0.00     0.174 HD
-ATOM   3242 2HH1 ARG B 120      98.987  79.423   9.225  1.00  0.00     0.174 HD
-ATOM   3243  NH2 ARG B 120      96.237  80.868   8.348  1.00 31.20    -0.235 N 
-ATOM   3244 1HH2 ARG B 120      96.062  81.407   9.196  1.00  0.00     0.174 HD
-ATOM   3245 2HH2 ARG B 120      95.595  80.925   7.558  1.00  0.00     0.174 HD
-ATOM   3246  N   PHE B 121      98.075  72.717   8.151  1.00 14.75    -0.346 N 
-ATOM   3247  HN  PHE B 121      98.943  72.888   7.643  1.00  0.00     0.163 HD
-ATOM   3248  CA  PHE B 121      97.940  71.545   9.005  1.00 15.70     0.180 C 
-ATOM   3249  C   PHE B 121      99.208  71.418   9.837  1.00 16.47     0.241 C 
-ATOM   3250  O   PHE B 121     100.264  71.908   9.415  1.00 16.83    -0.271 OA
-ATOM   3251  CB  PHE B 121      97.710  70.255   8.205  1.00 14.35     0.073 C 
-ATOM   3252  CG  PHE B 121      96.482  70.286   7.296  1.00 15.87    -0.056 A 
-ATOM   3253  CD1 PHE B 121      95.213  69.924   7.783  1.00 12.65     0.007 A 
-ATOM   3254  CD2 PHE B 121      96.606  70.608   5.937  1.00 11.48     0.007 A 
-ATOM   3255  CE1 PHE B 121      94.069  69.979   6.945  1.00 12.82     0.001 A 
-ATOM   3256  CE2 PHE B 121      95.461  70.642   5.080  1.00 12.79     0.001 A 
-ATOM   3257  CZ  PHE B 121      94.192  70.348   5.580  1.00 10.13     0.000 A 
-ATOM   3258  N   SER B 122      99.063  70.797  11.015  1.00 15.52    -0.344 N 
-ATOM   3259  HN  SER B 122      98.112  70.619  11.337  1.00  0.00     0.163 HD
-ATOM   3260  CA  SER B 122     100.134  70.363  11.857  1.00 16.15     0.200 C 
-ATOM   3261  C   SER B 122     100.302  68.867  11.555  1.00 16.84     0.243 C 
-ATOM   3262  O   SER B 122      99.349  68.090  11.724  1.00 16.30    -0.271 OA
-ATOM   3263  CB  SER B 122      99.745  70.533  13.330  1.00 15.75     0.199 C 
-ATOM   3264  OG  SER B 122     100.646  69.829  14.184  1.00 15.98    -0.398 OA
-ATOM   3265  HG  SER B 122     100.405  69.934  15.097  1.00  0.00     0.209 HD
-ATOM   3266  N   CYS B 123     101.490  68.482  11.097  1.00 17.36    -0.345 N 
-ATOM   3267  HN  CYS B 123     102.211  69.184  10.932  1.00  0.00     0.163 HD
-ATOM   3268  CA  CYS B 123     101.787  67.080  10.825  1.00 19.62     0.186 C 
-ATOM   3269  C   CYS B 123     103.280  66.866  10.662  1.00 19.44     0.242 C 
-ATOM   3270  O   CYS B 123     104.062  67.806  10.773  1.00 19.03    -0.271 OA
-ATOM   3271  CB  CYS B 123     101.040  66.606   9.576  1.00 20.58     0.120 C 
-ATOM   3272  SG  CYS B 123     101.410  67.560   8.111  1.00 25.97    -0.095 SA
-ATOM   3273  N   ASP B 124     103.655  65.609  10.410  1.00 19.69    -0.345 N 
-ATOM   3274  HN  ASP B 124     102.929  64.908  10.262  1.00  0.00     0.163 HD
-ATOM   3275  CA  ASP B 124     105.049  65.188  10.335  1.00 19.38     0.186 C 
-ATOM   3276  C   ASP B 124     105.683  65.606   9.009  1.00 18.99     0.241 C 
-ATOM   3277  O   ASP B 124     105.464  64.993   7.976  1.00 18.72    -0.271 OA
-ATOM   3278  CB  ASP B 124     105.153  63.669  10.538  1.00 19.27     0.147 C 
-ATOM   3279  CG  ASP B 124     106.545  63.221  10.912  1.00 20.18     0.175 C 
-ATOM   3280  OD1 ASP B 124     107.471  64.070  11.002  1.00 19.67    -0.648 OA
-ATOM   3281  OD2 ASP B 124     106.806  62.020  11.153  1.00 21.38    -0.648 OA
-ATOM   3282  N   VAL B 125     106.474  66.667   9.070  1.00 18.92    -0.346 N 
-ATOM   3283  HN  VAL B 125     106.583  67.140   9.967  1.00  0.00     0.163 HD
-ATOM   3284  CA  VAL B 125     107.195  67.190   7.918  1.00 18.73     0.180 C 
-ATOM   3285  C   VAL B 125     108.631  66.660   7.828  1.00 18.34     0.241 C 
-ATOM   3286  O   VAL B 125     109.318  66.940   6.867  1.00 17.94    -0.271 OA
-ATOM   3287  CB  VAL B 125     107.133  68.770   7.892  1.00 19.00     0.009 C 
-ATOM   3288  CG1 VAL B 125     107.883  69.364   6.705  1.00 18.93     0.012 C 
-ATOM   3289  CG2 VAL B 125     105.708  69.220   7.832  1.00 18.31     0.012 C 
-ATOM   3290  N   SER B 126     109.071  65.879   8.816  1.00 18.28    -0.344 N 
-ATOM   3291  HN  SER B 126     108.454  65.658   9.597  1.00  0.00     0.163 HD
-ATOM   3292  CA  SER B 126     110.439  65.332   8.791  1.00 18.23     0.200 C 
-ATOM   3293  C   SER B 126     110.654  64.440   7.580  1.00 17.83     0.242 C 
-ATOM   3294  O   SER B 126     109.763  63.695   7.183  1.00 17.31    -0.271 OA
-ATOM   3295  CB  SER B 126     110.754  64.559  10.083  1.00 18.27     0.199 C 
-ATOM   3296  OG  SER B 126     109.934  63.416  10.188  1.00 18.50    -0.398 OA
-ATOM   3297  HG  SER B 126     110.129  62.939  10.986  1.00  0.00     0.209 HD
-ATOM   3298  N   GLY B 127     111.829  64.583   6.975  1.00 17.85    -0.350 N 
-ATOM   3299  HN  GLY B 127     112.491  65.256   7.361  1.00  0.00     0.163 HD
-ATOM   3300  CA  GLY B 127     112.223  63.835   5.796  1.00 17.38     0.225 C 
-ATOM   3301  C   GLY B 127     111.743  64.404   4.484  1.00 17.01     0.236 C 
-ATOM   3302  O   GLY B 127     111.957  63.792   3.450  1.00 16.79    -0.272 OA
-ATOM   3303  N   VAL B 128     111.102  65.569   4.524  1.00 16.73    -0.346 N 
-ATOM   3304  HN  VAL B 128     111.004  66.051   5.418  1.00  0.00     0.163 HD
-ATOM   3305  CA  VAL B 128     110.532  66.179   3.318  1.00 16.87     0.180 C 
-ATOM   3306  C   VAL B 128     111.598  66.459   2.259  1.00 16.65     0.241 C 
-ATOM   3307  O   VAL B 128     111.321  66.440   1.069  1.00 16.43    -0.271 OA
-ATOM   3308  CB  VAL B 128     109.768  67.499   3.605  1.00 16.68     0.009 C 
-ATOM   3309  CG1 VAL B 128     110.714  68.634   4.028  1.00 16.56     0.012 C 
-ATOM   3310  CG2 VAL B 128     108.956  67.902   2.383  1.00 16.88     0.012 C 
-ATOM   3311  N   ASP B 129     112.802  66.749   2.731  1.00 15.51    -0.345 N 
-ATOM   3312  HN  ASP B 129     112.960  66.801   3.737  1.00  0.00     0.163 HD
-ATOM   3313  CA  ASP B 129     113.883  66.990   1.816  1.00 15.28     0.186 C 
-ATOM   3314  C   ASP B 129     114.777  65.763   1.683  1.00 15.26     0.241 C 
-ATOM   3315  O   ASP B 129     115.961  65.900   1.516  1.00 15.39    -0.271 OA
-ATOM   3316  CB  ASP B 129     114.666  68.240   2.220  1.00 15.03     0.147 C 
-ATOM   3317  CG  ASP B 129     115.147  69.049   0.996  1.00 16.34     0.175 C 
-ATOM   3318  OD1 ASP B 129     114.961  68.609  -0.160  1.00 15.49    -0.648 OA
-ATOM   3319  OD2 ASP B 129     115.763  70.123   1.088  1.00 17.37    -0.648 OA
-ATOM   3320  N   THR B 130     114.205  64.564   1.769  1.00 15.54    -0.344 N 
-ATOM   3321  HN  THR B 130     113.211  64.505   1.990  1.00  0.00     0.163 HD
-ATOM   3322  CA  THR B 130     114.968  63.311   1.553  1.00 15.29     0.205 C 
-ATOM   3323  C   THR B 130     114.353  62.497   0.397  1.00 15.30     0.243 C 
-ATOM   3324  O   THR B 130     113.274  62.840  -0.070  1.00 15.00    -0.271 OA
-ATOM   3325  CB  THR B 130     115.015  62.467   2.850  1.00 14.73     0.146 C 
-ATOM   3326  CG2 THR B 130     115.528  63.295   4.018  1.00 13.49     0.042 C 
-ATOM   3327  OG1 THR B 130     113.673  62.085   3.241  1.00 15.68    -0.393 OA
-ATOM   3328  HG1 THR B 130     113.702  61.567   4.037  1.00  0.00     0.210 HD
-ATOM   3329  N   GLU B 131     115.019  61.434  -0.069  1.00 15.56    -0.346 N 
-ATOM   3330  HN  GLU B 131     115.950  61.225   0.292  1.00  0.00     0.163 HD
-ATOM   3331  CA  GLU B 131     114.426  60.562  -1.096  1.00 16.48     0.177 C 
-ATOM   3332  C   GLU B 131     113.097  59.843  -0.701  1.00 16.06     0.241 C 
-ATOM   3333  O   GLU B 131     112.221  59.651  -1.547  1.00 14.85    -0.271 OA
-ATOM   3334  CB  GLU B 131     115.429  59.547  -1.673  1.00 17.15     0.045 C 
-ATOM   3335  CG  GLU B 131     116.883  60.008  -1.922  1.00 21.63     0.116 C 
-ATOM   3336  CD  GLU B 131     117.043  61.208  -2.864  1.00 25.54     0.172 C 
-ATOM   3337  OE1 GLU B 131     116.535  61.178  -4.030  1.00 23.63    -0.648 OA
-ATOM   3338  OE2 GLU B 131     117.720  62.180  -2.434  1.00 27.24    -0.648 OA
-ATOM   3339  N   SER B 132     112.945  59.409   0.548  1.00 17.59    -0.344 N 
-ATOM   3340  HN  SER B 132     113.688  59.555   1.231  1.00  0.00     0.163 HD
-ATOM   3341  CA  SER B 132     111.703  58.717   0.948  1.00 18.66     0.200 C 
-ATOM   3342  C   SER B 132     110.617  59.691   1.328  1.00 18.49     0.242 C 
-ATOM   3343  O   SER B 132     109.467  59.317   1.475  1.00 18.85    -0.271 OA
-ATOM   3344  CB  SER B 132     111.926  57.681   2.060  1.00 19.27     0.199 C 
-ATOM   3345  OG  SER B 132     112.691  58.207   3.117  1.00 20.95    -0.398 OA
-ATOM   3346  HG  SER B 132     112.829  57.566   3.805  1.00  0.00     0.209 HD
-ATOM   3347  N   GLY B 133     110.994  60.958   1.482  1.00 18.54    -0.350 N 
-ATOM   3348  HN  GLY B 133     111.987  61.187   1.445  1.00  0.00     0.163 HD
-ATOM   3349  CA  GLY B 133     110.032  62.023   1.701  1.00 17.90     0.225 C 
-ATOM   3350  C   GLY B 133     109.387  62.097   3.080  1.00 18.03     0.236 C 
-ATOM   3351  O   GLY B 133     109.635  61.289   3.985  1.00 16.96    -0.272 OA
-ATOM   3352  N   ALA B 134     108.534  63.090   3.249  1.00 17.86    -0.347 N 
-ATOM   3353  HN  ALA B 134     108.407  63.784   2.512  1.00  0.00     0.163 HD
-ATOM   3354  CA  ALA B 134     107.776  63.195   4.485  1.00 18.57     0.172 C 
-ATOM   3355  C   ALA B 134     106.428  62.488   4.307  1.00 19.19     0.240 C 
-ATOM   3356  O   ALA B 134     105.994  62.271   3.181  1.00 18.76    -0.271 OA
-ATOM   3357  CB  ALA B 134     107.574  64.664   4.869  1.00 18.33     0.042 C 
-ATOM   3358  N   THR B 135     105.787  62.132   5.419  1.00 19.50    -0.344 N 
-ATOM   3359  HN  THR B 135     106.257  62.218   6.320  1.00  0.00     0.163 HD
-ATOM   3360  CA  THR B 135     104.427  61.623   5.365  1.00 20.60     0.205 C 
-ATOM   3361  C   THR B 135     103.558  62.439   6.335  1.00 21.36     0.243 C 
-ATOM   3362  O   THR B 135     103.697  62.309   7.560  1.00 21.33    -0.271 OA
-ATOM   3363  CB  THR B 135     104.366  60.092   5.672  1.00 20.87     0.146 C 
-ATOM   3364  CG2 THR B 135     102.956  59.547   5.429  1.00 20.30     0.042 C 
-ATOM   3365  OG1 THR B 135     105.165  59.365   4.718  1.00 20.93    -0.393 OA
-ATOM   3366  HG1 THR B 135     105.128  58.434   4.905  1.00  0.00     0.210 HD
-ATOM   3367  N   CYS B 136     102.701  63.285   5.754  1.00 21.43    -0.345 N 
-ATOM   3368  HN  CYS B 136     102.692  63.329   4.735  1.00  0.00     0.163 HD
-ATOM   3369  CA  CYS B 136     101.786  64.142   6.475  1.00 22.61     0.186 C 
-ATOM   3370  C   CYS B 136     100.421  63.482   6.509  1.00 22.31     0.241 C 
-ATOM   3371  O   CYS B 136      99.843  63.126   5.446  1.00 22.35    -0.271 OA
-ATOM   3372  CB  CYS B 136     101.685  65.507   5.782  1.00 22.77     0.120 C 
-ATOM   3373  SG  CYS B 136     100.456  66.625   6.507  1.00 29.02    -0.095 SA
-ATOM   3374  N   ARG B 137      99.903  63.313   7.722  1.00 21.70    -0.346 N 
-ATOM   3375  HN  ARG B 137     100.419  63.649   8.536  1.00  0.00     0.163 HD
-ATOM   3376  CA  ARG B 137      98.621  62.662   7.914  1.00 21.38     0.176 C 
-ATOM   3377  C   ARG B 137      97.538  63.674   8.210  1.00 20.50     0.241 C 
-ATOM   3378  O   ARG B 137      97.682  64.465   9.170  1.00 19.91    -0.271 OA
-ATOM   3379  CB  ARG B 137      98.697  61.713   9.074  1.00 21.75     0.036 C 
-ATOM   3380  CG  ARG B 137      98.016  60.402   8.842  1.00 25.23     0.023 C 
-ATOM   3381  CD  ARG B 137      98.172  59.399   9.981  1.00 30.04     0.138 C 
-ATOM   3382  NE  ARG B 137      99.452  59.507  10.692  1.00 33.04    -0.227 N 
-ATOM   3383  HE  ARG B 137      99.493  60.116  11.509  1.00  0.00     0.177 HD
-ATOM   3384  CZ  ARG B 137     100.570  58.858  10.339  1.00 35.55     0.665 C 
-ATOM   3385  NH1 ARG B 137     100.578  58.057   9.261  1.00 35.30    -0.235 N 
-ATOM   3386 1HH1 ARG B 137      99.729  57.954   8.705  1.00  0.00     0.174 HD
-ATOM   3387 2HH1 ARG B 137     101.429  57.563   8.992  1.00  0.00     0.174 HD
-ATOM   3388  NH2 ARG B 137     101.688  58.994  11.072  1.00 35.85    -0.235 N 
-ATOM   3389 1HH2 ARG B 137     101.682  59.602  11.891  1.00  0.00     0.174 HD
-ATOM   3390 2HH2 ARG B 137     102.539  58.500  10.803  1.00  0.00     0.174 HD
-ATOM   3391  N   ILE B 138      96.461  63.626   7.413  1.00 18.74    -0.346 N 
-ATOM   3392  HN  ILE B 138      96.443  62.967   6.635  1.00  0.00     0.163 HD
-ATOM   3393  CA  ILE B 138      95.329  64.488   7.636  1.00 18.56     0.180 C 
-ATOM   3394  C   ILE B 138      94.106  63.697   8.064  1.00 18.20     0.241 C 
-ATOM   3395  O   ILE B 138      93.670  62.777   7.350  1.00 17.58    -0.271 OA
-ATOM   3396  CB  ILE B 138      95.025  65.323   6.372  1.00 18.25     0.013 C 
-ATOM   3397  CG1 ILE B 138      96.173  66.312   6.096  1.00 18.23     0.002 C 
-ATOM   3398  CG2 ILE B 138      93.708  66.005   6.553  1.00 17.90     0.012 C 
-ATOM   3399  CD1 ILE B 138      96.103  66.994   4.657  1.00 19.36     0.005 C 
-ATOM   3400  N   LYS B 139      93.542  64.067   9.221  1.00 17.46    -0.346 N 
-ATOM   3401  HN  LYS B 139      93.884  64.901   9.699  1.00  0.00     0.163 HD
-ATOM   3402  CA  LYS B 139      92.447  63.302   9.814  1.00 16.85     0.176 C 
-ATOM   3403  C   LYS B 139      91.122  64.051   9.665  1.00 16.73     0.241 C 
-ATOM   3404  O   LYS B 139      90.953  65.179  10.182  1.00 16.81    -0.271 OA
-ATOM   3405  CB  LYS B 139      92.777  63.012  11.288  1.00 16.79     0.035 C 
-ATOM   3406  CG  LYS B 139      91.636  62.461  12.107  1.00 17.02     0.004 C 
-ATOM   3407  CD  LYS B 139      92.046  62.269  13.609  1.00 18.53     0.027 C 
-ATOM   3408  CE  LYS B 139      90.796  62.011  14.502  1.00 19.06     0.229 C 
-ATOM   3409  NZ  LYS B 139      91.141  61.890  15.949  1.00 21.02    -0.079 N 
-ATOM   3410  HZ1 LYS B 139      90.322  61.721  16.534  1.00  0.00     0.274 HD
-ATOM   3411  HZ2 LYS B 139      91.660  62.707  16.272  1.00  0.00     0.274 HD
-ATOM   3412  HZ3 LYS B 139      91.852  61.174  16.098  1.00  0.00     0.274 HD
-ATOM   3413  N   ILE B 140      90.187  63.458   8.939  1.00 16.17    -0.346 N 
-ATOM   3414  HN  ILE B 140      90.357  62.529   8.554  1.00  0.00     0.163 HD
-ATOM   3415  CA  ILE B 140      88.904  64.132   8.684  1.00 16.24     0.180 C 
-ATOM   3416  C   ILE B 140      87.731  63.323   9.151  1.00 16.14     0.241 C 
-ATOM   3417  O   ILE B 140      87.667  62.090   8.840  1.00 15.63    -0.271 OA
-ATOM   3418  CB  ILE B 140      88.759  64.478   7.192  1.00 17.22     0.013 C 
-ATOM   3419  CG1 ILE B 140      89.806  65.512   6.826  1.00 18.88     0.002 C 
-ATOM   3420  CG2 ILE B 140      87.374  65.078   6.909  1.00 16.68     0.012 C 
-ATOM   3421  CD1 ILE B 140      89.976  65.639   5.380  1.00 23.60     0.005 C 
-ATOM   3422  N   GLY B 141      86.812  63.977   9.882  1.00 14.30    -0.351 N 
-ATOM   3423  HN  GLY B 141      86.948  64.963  10.105  1.00  0.00     0.163 HD
-ATOM   3424  CA  GLY B 141      85.627  63.287  10.356  1.00 14.35     0.225 C 
-ATOM   3425  C   GLY B 141      84.499  64.222  10.726  1.00 14.47     0.236 C 
-ATOM   3426  O   GLY B 141      84.677  65.475  10.679  1.00 13.83    -0.272 OA
-ATOM   3427  N   SER B 142      83.337  63.642  11.059  1.00 13.22    -0.344 N 
-ATOM   3428  HN  SER B 142      83.236  62.627  11.058  1.00  0.00     0.163 HD
-ATOM   3429  CA  SER B 142      82.226  64.505  11.422  1.00 13.46     0.200 C 
-ATOM   3430  C   SER B 142      82.598  65.043  12.789  1.00 13.08     0.243 C 
-ATOM   3431  O   SER B 142      83.023  64.281  13.643  1.00 12.55    -0.271 OA
-ATOM   3432  CB  SER B 142      80.906  63.759  11.509  1.00 13.46     0.199 C 
-ATOM   3433  OG  SER B 142      79.954  64.530  12.253  1.00 13.44    -0.398 OA
-ATOM   3434  HG  SER B 142      79.128  64.063  12.307  1.00  0.00     0.209 HD
-ATOM   3435  N   TRP B 143      82.484  66.349  12.946  1.00 12.08    -0.346 N 
-ATOM   3436  HN  TRP B 143      82.219  66.915  12.140  1.00  0.00     0.163 HD
-ATOM   3437  CA  TRP B 143      82.720  67.019  14.221  1.00 11.68     0.181 C 
-ATOM   3438  C   TRP B 143      81.741  66.688  15.320  1.00 11.41     0.241 C 
-ATOM   3439  O   TRP B 143      82.169  66.533  16.464  1.00 11.78    -0.271 OA
-ATOM   3440  CB  TRP B 143      82.745  68.539  14.035  1.00 11.36     0.075 C 
-ATOM   3441  CG  TRP B 143      83.399  69.215  15.202  1.00 11.32    -0.028 A 
-ATOM   3442  CD1 TRP B 143      82.805  70.062  16.112  1.00 12.16     0.096 A 
-ATOM   3443  CD2 TRP B 143      84.751  69.049  15.640  1.00 11.25    -0.002 A 
-ATOM   3444  CE2 TRP B 143      84.930  69.857  16.781  1.00 10.64     0.042 A 
-ATOM   3445  CE3 TRP B 143      85.859  68.343  15.144  1.00 11.43     0.014 A 
-ATOM   3446  NE1 TRP B 143      83.721  70.444  17.063  1.00 11.09    -0.365 N 
-ATOM   3447  HE1 TRP B 143      83.533  71.064  17.851  1.00  0.00     0.165 HD
-ATOM   3448  CZ2 TRP B 143      86.153  69.928  17.469  1.00 12.73     0.030 A 
-ATOM   3449  CZ3 TRP B 143      87.072  68.443  15.807  1.00 11.82     0.001 A 
-ATOM   3450  CH2 TRP B 143      87.208  69.226  16.964  1.00 12.62     0.002 A 
-ATOM   3451  N   THR B 144      80.438  66.573  15.004  1.00 11.12    -0.344 N 
-ATOM   3452  HN  THR B 144      80.146  66.687  14.033  1.00  0.00     0.163 HD
-ATOM   3453  CA  THR B 144      79.428  66.286  16.031  1.00 10.51     0.205 C 
-ATOM   3454  C   THR B 144      78.552  65.036  15.852  1.00 10.42     0.243 C 
-ATOM   3455  O   THR B 144      77.638  64.845  16.627  1.00  9.73    -0.271 OA
-ATOM   3456  CB  THR B 144      78.476  67.496  16.196  1.00 10.75     0.146 C 
-ATOM   3457  CG2 THR B 144      79.271  68.887  16.089  1.00 10.85     0.042 C 
-ATOM   3458  OG1 THR B 144      77.565  67.472  15.092  1.00  9.46    -0.393 OA
-ATOM   3459  HG1 THR B 144      76.981  68.214  15.193  1.00  0.00     0.210 HD
-ATOM   3460  N   HIS B 145      78.765  64.229  14.812  1.00 10.46    -0.346 N 
-ATOM   3461  HN  HIS B 145      79.557  64.396  14.191  1.00  0.00     0.163 HD
-ATOM   3462  CA  HIS B 145      77.860  63.099  14.559  1.00 10.50     0.182 C 
-ATOM   3463  C   HIS B 145      78.639  61.801  14.720  1.00 10.65     0.241 C 
-ATOM   3464  O   HIS B 145      79.594  61.534  13.974  1.00 10.51    -0.271 OA
-ATOM   3465  CB  HIS B 145      77.234  63.115  13.181  1.00 10.07     0.093 C 
-ATOM   3466  CG  HIS B 145      76.166  64.136  13.018  1.00 10.35     0.028 A 
-ATOM   3467  CD2 HIS B 145      74.906  64.178  13.426  1.00  7.62     0.114 A 
-ATOM   3468  ND1 HIS B 145      76.319  65.267  12.303  1.00  9.16    -0.354 N 
-ATOM   3469  HD1 HIS B 145      77.179  65.535  11.825  1.00  0.00     0.166 HD
-ATOM   3470  CE1 HIS B 145      75.210  65.983  12.301  1.00 10.23     0.180 A 
-ATOM   3471  NE2 HIS B 145      74.334  65.341  12.981  1.00 10.30    -0.360 N 
-ATOM   3472  HE2 HIS B 145      73.376  65.643  13.160  1.00  0.00     0.166 HD
-ATOM   3473  N   HIS B 146      78.219  61.005  15.678  1.00 10.02    -0.346 N 
-ATOM   3474  HN  HIS B 146      77.394  61.260  16.221  1.00  0.00     0.163 HD
-ATOM   3475  CA  HIS B 146      78.913  59.776  15.969  1.00 10.57     0.182 C 
-ATOM   3476  C   HIS B 146      78.623  58.652  14.943  1.00 10.73     0.241 C 
-ATOM   3477  O   HIS B 146      77.863  58.838  13.996  1.00  9.80    -0.271 OA
-ATOM   3478  CB  HIS B 146      78.626  59.338  17.408  1.00 10.01     0.093 C 
-ATOM   3479  CG  HIS B 146      77.172  59.162  17.695  1.00 11.29     0.028 A 
-ATOM   3480  CD2 HIS B 146      76.363  59.761  18.579  1.00 11.83     0.114 A 
-ATOM   3481  ND1 HIS B 146      76.369  58.288  17.022  1.00 12.47    -0.354 N 
-ATOM   3482  HD1 HIS B 146      76.681  57.673  16.270  1.00  0.00     0.166 HD
-ATOM   3483  CE1 HIS B 146      75.132  58.349  17.480  1.00 12.58     0.180 A 
-ATOM   3484  NE2 HIS B 146      75.105  59.225  18.445  1.00 11.96    -0.360 N 
-ATOM   3485  HE2 HIS B 146      74.289  59.471  19.005  1.00  0.00     0.166 HD
-ATOM   3486  N   SER B 147      79.178  57.450  15.205  1.00 11.15    -0.344 N 
-ATOM   3487  HN  SER B 147      79.604  57.279  16.116  1.00  0.00     0.163 HD
-ATOM   3488  CA  SER B 147      79.175  56.378  14.186  1.00 11.31     0.200 C 
-ATOM   3489  C   SER B 147      77.772  55.934  13.777  1.00 10.97     0.243 C 
-ATOM   3490  O   SER B 147      77.592  55.482  12.708  1.00 11.92    -0.271 OA
-ATOM   3491  CB  SER B 147      80.074  55.209  14.582  1.00 11.05     0.199 C 
-ATOM   3492  OG  SER B 147      79.550  54.486  15.698  1.00 11.00    -0.398 OA
-ATOM   3493  HG  SER B 147      80.109  53.759  15.944  1.00  0.00     0.209 HD
-ATOM   3494  N   ARG B 148      76.766  56.137  14.596  1.00 11.60    -0.346 N 
-ATOM   3495  HN  ARG B 148      76.925  56.579  15.501  1.00  0.00     0.163 HD
-ATOM   3496  CA  ARG B 148      75.409  55.726  14.205  1.00 12.07     0.176 C 
-ATOM   3497  C   ARG B 148      74.670  56.783  13.356  1.00 12.09     0.241 C 
-ATOM   3498  O   ARG B 148      73.590  56.528  12.828  1.00 11.99    -0.271 OA
-ATOM   3499  CB  ARG B 148      74.583  55.321  15.426  1.00 12.32     0.036 C 
-ATOM   3500  CG  ARG B 148      75.208  54.197  16.196  1.00 14.12     0.023 C 
-ATOM   3501  CD  ARG B 148      74.373  53.785  17.368  1.00 19.25     0.138 C 
-ATOM   3502  NE  ARG B 148      74.236  54.850  18.360  1.00 21.07    -0.227 N 
-ATOM   3503  HE  ARG B 148      75.082  55.193  18.815  1.00  0.00     0.177 HD
-ATOM   3504  CZ  ARG B 148      73.087  55.392  18.701  1.00 23.77     0.665 C 
-ATOM   3505  NH1 ARG B 148      71.954  54.989  18.148  1.00 22.41    -0.235 N 
-ATOM   3506 1HH1 ARG B 148      71.973  54.259  17.435  1.00  0.00     0.174 HD
-ATOM   3507 2HH1 ARG B 148      71.063  55.409  18.412  1.00  0.00     0.174 HD
-ATOM   3508  NH2 ARG B 148      73.062  56.336  19.623  1.00 23.59    -0.235 N 
-ATOM   3509 1HH2 ARG B 148      73.935  56.647  20.049  1.00  0.00     0.174 HD
-ATOM   3510 2HH2 ARG B 148      72.171  56.756  19.887  1.00  0.00     0.174 HD
-ATOM   3511  N   GLU B 149      75.289  57.940  13.192  1.00 11.64    -0.346 N 
-ATOM   3512  HN  GLU B 149      76.227  58.061  13.573  1.00  0.00     0.163 HD
-ATOM   3513  CA  GLU B 149      74.663  59.043  12.481  1.00 12.00     0.177 C 
-ATOM   3514  C   GLU B 149      75.400  59.335  11.184  1.00 11.68     0.241 C 
-ATOM   3515  O   GLU B 149      74.769  59.509  10.153  1.00 11.29    -0.271 OA
-ATOM   3516  CB  GLU B 149      74.559  60.272  13.392  1.00 11.76     0.045 C 
-ATOM   3517  CG  GLU B 149      73.531  60.102  14.501  1.00 13.18     0.116 C 
-ATOM   3518  CD  GLU B 149      73.429  61.323  15.422  1.00 16.48     0.172 C 
-ATOM   3519  OE1 GLU B 149      73.935  62.404  15.088  1.00 17.30    -0.648 OA
-ATOM   3520  OE2 GLU B 149      72.820  61.230  16.481  1.00 16.99    -0.648 OA
-ATOM   3521  N   ILE B 150      76.728  59.358  11.247  1.00 11.79    -0.346 N 
-ATOM   3522  HN  ILE B 150      77.168  59.310  12.166  1.00  0.00     0.163 HD
-ATOM   3523  CA  ILE B 150      77.583  59.448  10.084  1.00 12.81     0.180 C 
-ATOM   3524  C   ILE B 150      78.703  58.371  10.076  1.00 14.13     0.241 C 
-ATOM   3525  O   ILE B 150      79.423  58.194  11.049  1.00 13.97    -0.271 OA
-ATOM   3526  CB  ILE B 150      78.172  60.875   9.983  1.00 12.62     0.013 C 
-ATOM   3527  CG1 ILE B 150      77.071  61.891   9.621  1.00 11.88     0.002 C 
-ATOM   3528  CG2 ILE B 150      79.298  60.946   8.983  1.00 11.68     0.012 C 
-ATOM   3529  CD1 ILE B 150      77.624  63.420   9.438  1.00 10.83     0.005 C 
-ATOM   3530  N   SER B 151      78.824  57.648   8.975  1.00 15.33    -0.344 N 
-ATOM   3531  HN  SER B 151      78.050  57.620   8.311  1.00  0.00     0.163 HD
-ATOM   3532  CA  SER B 151      80.028  56.895   8.688  1.00 17.22     0.200 C 
-ATOM   3533  C   SER B 151      80.848  57.561   7.590  1.00 18.57     0.243 C 
-ATOM   3534  O   SER B 151      80.299  58.089   6.620  1.00 18.43    -0.271 OA
-ATOM   3535  CB  SER B 151      79.719  55.433   8.373  1.00 17.51     0.199 C 
-ATOM   3536  OG  SER B 151      79.009  55.282   7.185  1.00 19.11    -0.398 OA
-ATOM   3537  HG  SER B 151      78.817  54.373   6.989  1.00  0.00     0.209 HD
-ATOM   3538  N   VAL B 152      82.164  57.580   7.768  1.00 20.04    -0.346 N 
-ATOM   3539  HN  VAL B 152      82.565  57.210   8.630  1.00  0.00     0.163 HD
-ATOM   3540  CA  VAL B 152      83.033  58.123   6.745  1.00 22.38     0.180 C 
-ATOM   3541  C   VAL B 152      83.882  57.036   6.145  1.00 23.80     0.241 C 
-ATOM   3542  O   VAL B 152      84.516  56.252   6.864  1.00 24.07    -0.271 OA
-ATOM   3543  CB  VAL B 152      83.904  59.305   7.210  1.00 22.53     0.009 C 
-ATOM   3544  CG1 VAL B 152      83.054  60.518   7.393  1.00 22.74     0.012 C 
-ATOM   3545  CG2 VAL B 152      84.610  58.975   8.494  1.00 23.25     0.012 C 
-ATOM   3546  N   ASP B 153      83.858  56.974   4.821  1.00 23.95    -0.345 N 
-ATOM   3547  HN  ASP B 153      83.230  57.593   4.308  1.00  0.00     0.163 HD
-ATOM   3548  CA  ASP B 153      84.704  56.047   4.074  1.00 26.63     0.186 C 
-ATOM   3549  C   ASP B 153      85.460  56.801   2.984  1.00 28.08     0.243 C 
-ATOM   3550  O   ASP B 153      84.994  57.846   2.523  1.00 27.27    -0.271 OA
-ATOM   3551  CB  ASP B 153      83.875  54.900   3.456  1.00 25.09     0.147 C 
-ATOM   3552  CG  ASP B 153      83.549  53.806   4.467  1.00 26.53     0.175 C 
-ATOM   3553  OD1 ASP B 153      82.761  54.092   5.399  1.00 25.55    -0.648 OA
-ATOM   3554  OD2 ASP B 153      84.039  52.636   4.420  1.00 26.28    -0.648 OA
-ATOM   3555  N   PRO B 154      86.625  56.283   2.576  1.00 30.22    -0.337 N 
-ATOM   3556  CA  PRO B 154      87.277  56.820   1.384  1.00 31.96     0.179 C 
-ATOM   3557  C   PRO B 154      86.428  56.417   0.173  1.00 34.04     0.241 C 
-ATOM   3558  O   PRO B 154      85.841  55.323   0.194  1.00 34.03    -0.271 OA
-ATOM   3559  CB  PRO B 154      88.651  56.133   1.391  1.00 31.84     0.037 C 
-ATOM   3560  CG  PRO B 154      88.450  54.853   2.177  1.00 31.50     0.022 C 
-ATOM   3561  CD  PRO B 154      87.413  55.199   3.207  1.00 29.90     0.127 C 
-ATOM   3562  N   THR B 155      86.311  57.299  -0.817  1.00 36.45    -0.344 N 
-ATOM   3563  HN  THR B 155      86.676  58.242  -0.684  1.00  0.00     0.163 HD
-ATOM   3564  CA  THR B 155      85.672  56.958  -2.097  1.00 39.64     0.205 C 
-ATOM   3565  C   THR B 155      86.217  55.630  -2.590  1.00 41.12     0.243 C 
-ATOM   3566  O   THR B 155      87.436  55.407  -2.600  1.00 41.39    -0.271 OA
-ATOM   3567  CB  THR B 155      85.923  58.048  -3.160  1.00 39.81     0.146 C 
-ATOM   3568  CG2 THR B 155      84.729  58.149  -4.148  1.00 40.99     0.042 C 
-ATOM   3569  OG1 THR B 155      85.967  59.335  -2.534  1.00 41.16    -0.393 OA
-ATOM   3570  HG1 THR B 155      86.122  60.006  -3.188  1.00  0.00     0.210 HD
-ATOM   3571  N   THR B 156      85.304  54.753  -2.991  1.00 43.72    -0.344 N 
-ATOM   3572  HN  THR B 156      84.352  55.083  -3.150  1.00  0.00     0.163 HD
-ATOM   3573  CA  THR B 156      85.599  53.325  -3.218  1.00 45.69     0.205 C 
-ATOM   3574  C   THR B 156      86.501  53.032  -4.441  1.00 46.66     0.243 C 
-ATOM   3575  O   THR B 156      87.065  51.928  -4.562  1.00 46.75    -0.271 OA
-ATOM   3576  CB  THR B 156      84.286  52.509  -3.296  1.00 45.86     0.146 C 
-ATOM   3577  CG2 THR B 156      83.785  52.139  -1.891  1.00 45.87     0.042 C 
-ATOM   3578  OG1 THR B 156      83.244  53.336  -3.826  1.00 46.43    -0.393 OA
-ATOM   3579  HG1 THR B 156      82.438  52.835  -3.874  1.00  0.00     0.210 HD
-ATOM   3580  N   GLU B 157      86.636  54.031  -5.318  1.00 47.73    -0.346 N 
-ATOM   3581  HN  GLU B 157      86.070  54.868  -5.180  1.00  0.00     0.163 HD
-ATOM   3582  CA  GLU B 157      87.548  54.000  -6.468  1.00 48.91     0.177 C 
-ATOM   3583  C   GLU B 157      89.002  53.666  -6.087  1.00 49.25     0.241 C 
-ATOM   3584  O   GLU B 157      89.465  53.999  -4.974  1.00 49.63    -0.271 OA
-ATOM   3585  CB  GLU B 157      87.511  55.355  -7.208  1.00 49.32     0.045 C 
-ATOM   3586  CG  GLU B 157      86.120  55.821  -7.671  1.00 51.24     0.116 C 
-ATOM   3587  CD  GLU B 157      86.044  57.321  -7.996  1.00 52.85     0.172 C 
-ATOM   3588  OE1 GLU B 157      87.063  57.893  -8.472  1.00 52.85    -0.648 OA
-ATOM   3589  OE2 GLU B 157      84.959  57.928  -7.780  1.00 52.44    -0.648 OA
-ATOM   3590  N   ASN B 158      89.710  53.010  -7.013  1.00 49.21    -0.346 N 
-ATOM   3591  HN  ASN B 158      89.215  52.627  -7.819  1.00  0.00     0.163 HD
-ATOM   3592  CA  ASN B 158      91.166  52.812  -6.929  1.00 49.05     0.185 C 
-ATOM   3593  C   ASN B 158      91.942  54.141  -6.934  1.00 48.68     0.241 C 
-ATOM   3594  O   ASN B 158      93.158  54.149  -6.687  1.00 48.90    -0.271 OA
-ATOM   3595  CB  ASN B 158      91.656  51.992  -8.136  1.00 49.28     0.137 C 
-ATOM   3596  CG  ASN B 158      91.470  50.484  -7.961  1.00 50.42     0.217 C 
-ATOM   3597  ND2 ASN B 158      91.791  49.722  -9.013  1.00 49.35    -0.370 N 
-ATOM   3598 1HD2 ASN B 158      91.667  48.716  -8.896  1.00  0.00     0.159 HD
-ATOM   3599 2HD2 ASN B 158      92.137  50.113  -9.889  1.00  0.00     0.159 HD
-ATOM   3600  OD1 ASN B 158      91.052  50.011  -6.901  1.00 51.66    -0.274 OA
-ATOM   3601  N   SER B 159      91.218  55.246  -7.180  1.00 47.38    -0.344 N 
-ATOM   3602  HN  SER B 159      90.249  55.267  -6.861  1.00  0.00     0.163 HD
-ATOM   3603  CA  SER B 159      91.743  56.430  -7.884  1.00 45.98     0.200 C 
-ATOM   3604  C   SER B 159      93.015  57.096  -7.335  1.00 44.54     0.243 C 
-ATOM   3605  O   SER B 159      93.338  56.996  -6.140  1.00 44.41    -0.271 OA
-ATOM   3606  CB  SER B 159      90.626  57.462  -8.120  1.00 46.45     0.199 C 
-ATOM   3607  OG  SER B 159      90.304  58.149  -6.919  1.00 46.66    -0.398 OA
-ATOM   3608  HG  SER B 159      89.614  58.786  -7.065  1.00  0.00     0.209 HD
-ATOM   3609  N   ASP B 160      93.728  57.766  -8.244  1.00 42.41    -0.345 N 
-ATOM   3610  HN  ASP B 160      93.428  57.734  -9.218  1.00  0.00     0.163 HD
-ATOM   3611  CA  ASP B 160      94.918  58.542  -7.906  1.00 40.63     0.186 C 
-ATOM   3612  C   ASP B 160      94.549  59.911  -7.306  1.00 39.49     0.241 C 
-ATOM   3613  O   ASP B 160      94.084  60.811  -8.019  1.00 39.37    -0.271 OA
-ATOM   3614  CB  ASP B 160      95.815  58.721  -9.136  1.00 40.31     0.147 C 
-ATOM   3615  CG  ASP B 160      97.262  59.027  -8.770  1.00 40.50     0.175 C 
-ATOM   3616  OD1 ASP B 160      97.524  59.552  -7.664  1.00 37.81    -0.648 OA
-ATOM   3617  OD2 ASP B 160      98.215  58.783  -9.539  1.00 40.82    -0.648 OA
-ATOM   3618  N   ASP B 161      94.767  60.067  -6.002  1.00 37.31    -0.345 N 
-ATOM   3619  HN  ASP B 161      95.059  59.267  -5.441  1.00  0.00     0.163 HD
-ATOM   3620  CA  ASP B 161      94.593  61.368  -5.367  1.00 36.04     0.186 C 
-ATOM   3621  C   ASP B 161      95.726  62.386  -5.620  1.00 34.32     0.241 C 
-ATOM   3622  O   ASP B 161      95.681  63.511  -5.116  1.00 33.43    -0.271 OA
-ATOM   3623  CB  ASP B 161      94.356  61.189  -3.876  1.00 36.09     0.147 C 
-ATOM   3624  CG  ASP B 161      93.212  60.247  -3.588  1.00 37.86     0.175 C 
-ATOM   3625  OD1 ASP B 161      92.256  60.180  -4.414  1.00 38.93    -0.648 OA
-ATOM   3626  OD2 ASP B 161      93.184  59.539  -2.555  1.00 39.48    -0.648 OA
-ATOM   3627  N   SER B 162      96.735  61.997  -6.396  1.00 32.62    -0.344 N 
-ATOM   3628  HN  SER B 162      96.759  61.039  -6.747  1.00  0.00     0.163 HD
-ATOM   3629  CA  SER B 162      97.812  62.925  -6.754  1.00 31.03     0.200 C 
-ATOM   3630  C   SER B 162      97.805  63.255  -8.233  1.00 30.32     0.243 C 
-ATOM   3631  O   SER B 162      98.755  63.839  -8.751  1.00 30.57    -0.271 OA
-ATOM   3632  CB  SER B 162      99.159  62.354  -6.331  1.00 30.56     0.199 C 
-ATOM   3633  OG  SER B 162      99.582  61.319  -7.192  1.00 30.60    -0.398 OA
-ATOM   3634  HG  SER B 162     100.422  60.963  -6.928  1.00  0.00     0.209 HD
-ATOM   3635  N   GLU B 163      96.731  62.860  -8.911  1.00 29.59    -0.346 N 
-ATOM   3636  HN  GLU B 163      95.958  62.438  -8.396  1.00  0.00     0.163 HD
-ATOM   3637  CA  GLU B 163      96.608  63.004 -10.368  1.00 28.85     0.177 C 
-ATOM   3638  C   GLU B 163      96.602  64.451 -10.892  1.00 27.95     0.241 C 
-ATOM   3639  O   GLU B 163      97.134  64.700 -11.979  1.00 28.04    -0.271 OA
-ATOM   3640  CB  GLU B 163      95.333  62.320 -10.850  1.00 28.98     0.045 C 
-ATOM   3641  CG  GLU B 163      94.884  62.813 -12.226  1.00 31.18     0.116 C 
-ATOM   3642  CD  GLU B 163      93.843  61.919 -12.880  1.00 33.01     0.172 C 
-ATOM   3643  OE1 GLU B 163      92.874  61.489 -12.192  1.00 33.89    -0.648 OA
-ATOM   3644  OE2 GLU B 163      94.001  61.652 -14.085  1.00 32.72    -0.648 OA
-ATOM   3645  N   TYR B 164      95.979  65.367 -10.136  1.00 25.40    -0.346 N 
-ATOM   3646  HN  TYR B 164      95.664  65.086  -9.207  1.00  0.00     0.163 HD
-ATOM   3647  CA  TYR B 164      95.723  66.743 -10.560  1.00 23.91     0.180 C 
-ATOM   3648  C   TYR B 164      96.721  67.704  -9.916  1.00 22.57     0.241 C 
-ATOM   3649  O   TYR B 164      96.570  68.920  -9.959  1.00 21.85    -0.271 OA
-ATOM   3650  CB  TYR B 164      94.269  67.150 -10.234  1.00 23.66     0.073 C 
-ATOM   3651  CG  TYR B 164      93.285  66.288 -10.968  1.00 24.77    -0.056 A 
-ATOM   3652  CD1 TYR B 164      93.266  66.285 -12.365  1.00 26.58     0.010 A 
-ATOM   3653  CD2 TYR B 164      92.425  65.414 -10.279  1.00 25.13     0.010 A 
-ATOM   3654  CE1 TYR B 164      92.406  65.462 -13.064  1.00 28.88     0.037 A 
-ATOM   3655  CE2 TYR B 164      91.561  64.581 -10.971  1.00 27.26     0.037 A 
-ATOM   3656  CZ  TYR B 164      91.557  64.618 -12.366  1.00 28.44     0.065 A 
-ATOM   3657  OH  TYR B 164      90.721  63.815 -13.093  1.00 33.36    -0.361 OA
-ATOM   3658  HH  TYR B 164      90.139  63.236 -12.614  1.00  0.00     0.217 HD
-ATOM   3659  N   PHE B 165      97.761  67.129  -9.349  1.00 21.39    -0.346 N 
-ATOM   3660  HN  PHE B 165      97.868  66.117  -9.416  1.00  0.00     0.163 HD
-ATOM   3661  CA  PHE B 165      98.762  67.903  -8.629  1.00 19.80     0.180 C 
-ATOM   3662  C   PHE B 165      99.549  68.773  -9.585  1.00 18.85     0.241 C 
-ATOM   3663  O   PHE B 165      99.867  68.359 -10.687  1.00 18.32    -0.271 OA
-ATOM   3664  CB  PHE B 165      99.668  66.972  -7.845  1.00 18.95     0.073 C 
-ATOM   3665  CG  PHE B 165     100.543  67.676  -6.861  1.00 18.38    -0.056 A 
-ATOM   3666  CD1 PHE B 165     100.015  68.180  -5.694  1.00 17.15     0.007 A 
-ATOM   3667  CD2 PHE B 165     101.900  67.838  -7.108  1.00 16.86     0.007 A 
-ATOM   3668  CE1 PHE B 165     100.820  68.830  -4.767  1.00 18.06     0.001 A 
-ATOM   3669  CE2 PHE B 165     102.714  68.485  -6.208  1.00 17.24     0.001 A 
-ATOM   3670  CZ  PHE B 165     102.204  68.986  -5.030  1.00 16.95     0.000 A 
-ATOM   3671  N   SER B 166      99.829  69.999  -9.167  1.00 17.88    -0.344 N 
-ATOM   3672  HN  SER B 166      99.573  70.283  -8.221  1.00  0.00     0.163 HD
-ATOM   3673  CA  SER B 166     100.504  70.949 -10.054  1.00 17.22     0.200 C 
-ATOM   3674  C   SER B 166     101.917  70.487 -10.456  1.00 16.80     0.243 C 
-ATOM   3675  O   SER B 166     102.727  70.124  -9.595  1.00 15.56    -0.271 OA
-ATOM   3676  CB  SER B 166     100.568  72.340  -9.425  1.00 17.11     0.199 C 
-ATOM   3677  OG  SER B 166     101.430  73.156 -10.219  1.00 16.41    -0.398 OA
-ATOM   3678  HG  SER B 166     101.470  74.021  -9.828  1.00  0.00     0.209 HD
-ATOM   3679  N   GLN B 167     102.221  70.521 -11.760  1.00 16.81    -0.346 N 
-ATOM   3680  HN  GLN B 167     101.489  70.734 -12.438  1.00  0.00     0.163 HD
-ATOM   3681  CA  GLN B 167     103.588  70.257 -12.235  1.00 17.34     0.177 C 
-ATOM   3682  C   GLN B 167     104.580  71.375 -11.884  1.00 17.11     0.241 C 
-ATOM   3683  O   GLN B 167     105.783  71.193 -12.035  1.00 16.83    -0.271 OA
-ATOM   3684  CB  GLN B 167     103.606  70.032 -13.750  1.00 17.91     0.044 C 
-ATOM   3685  CG  GLN B 167     103.283  71.298 -14.530  1.00 19.56     0.105 C 
-ATOM   3686  CD  GLN B 167     103.116  71.085 -16.000  1.00 22.40     0.215 C 
-ATOM   3687  NE2 GLN B 167     101.868  71.192 -16.486  1.00 22.14    -0.370 N 
-ATOM   3688 1HE2 GLN B 167     101.055  71.376 -15.898  1.00  0.00     0.159 HD
-ATOM   3689 2HE2 GLN B 167     101.754  71.047 -17.489  1.00  0.00     0.159 HD
-ATOM   3690  OE1 GLN B 167     104.101  70.862 -16.712  1.00 22.67    -0.274 OA
-ATOM   3691  N   TYR B 168     104.074  72.512 -11.411  1.00 17.19    -0.346 N 
-ATOM   3692  HN  TYR B 168     103.070  72.564 -11.240  1.00  0.00     0.163 HD
-ATOM   3693  CA  TYR B 168     104.888  73.682 -11.127  1.00 16.89     0.180 C 
-ATOM   3694  C   TYR B 168     105.254  73.784  -9.668  1.00 16.66     0.241 C 
-ATOM   3695  O   TYR B 168     106.145  74.552  -9.314  1.00 16.92    -0.271 OA
-ATOM   3696  CB  TYR B 168     104.164  74.934 -11.612  1.00 17.09     0.073 C 
-ATOM   3697  CG  TYR B 168     103.944  74.864 -13.083  1.00 17.11    -0.056 A 
-ATOM   3698  CD1 TYR B 168     104.989  74.590 -13.943  1.00 17.17     0.010 A 
-ATOM   3699  CD2 TYR B 168     102.692  75.000 -13.618  1.00 16.96     0.010 A 
-ATOM   3700  CE1 TYR B 168     104.788  74.485 -15.321  1.00 17.86     0.037 A 
-ATOM   3701  CE2 TYR B 168     102.489  74.907 -14.983  1.00 16.56     0.037 A 
-ATOM   3702  CZ  TYR B 168     103.517  74.648 -15.825  1.00 17.54     0.065 A 
-ATOM   3703  OH  TYR B 168     103.271  74.563 -17.192  1.00 18.85    -0.361 OA
-ATOM   3704  HH  TYR B 168     103.992  74.381 -17.783  1.00  0.00     0.217 HD
-ATOM   3705  N   SER B 169     104.591  72.983  -8.839  1.00 15.86    -0.344 N 
-ATOM   3706  HN  SER B 169     103.799  72.444  -9.190  1.00  0.00     0.163 HD
-ATOM   3707  CA  SER B 169     104.974  72.860  -7.436  1.00 15.65     0.200 C 
-ATOM   3708  C   SER B 169     106.453  72.585  -7.244  1.00 15.79     0.243 C 
-ATOM   3709  O   SER B 169     107.117  72.017  -8.116  1.00 15.15    -0.271 OA
-ATOM   3710  CB  SER B 169     104.149  71.788  -6.730  1.00 15.15     0.199 C 
-ATOM   3711  OG  SER B 169     104.379  71.870  -5.343  1.00 15.52    -0.398 OA
-ATOM   3712  HG  SER B 169     103.865  71.203  -4.903  1.00  0.00     0.209 HD
-ATOM   3713  N   ARG B 170     106.951  72.988  -6.072  1.00 16.26    -0.346 N 
-ATOM   3714  HN  ARG B 170     106.340  73.499  -5.435  1.00  0.00     0.163 HD
-ATOM   3715  CA  ARG B 170     108.310  72.735  -5.664  1.00 16.44     0.176 C 
-ATOM   3716  C   ARG B 170     108.391  71.302  -5.141  1.00 15.72     0.241 C 
-ATOM   3717  O   ARG B 170     109.485  70.799  -4.883  1.00 14.90    -0.271 OA
-ATOM   3718  CB  ARG B 170     108.621  73.646  -4.496  1.00 17.04     0.036 C 
-ATOM   3719  CG  ARG B 170     109.573  74.751  -4.807  1.00 20.51     0.023 C 
-ATOM   3720  CD  ARG B 170     109.950  75.523  -3.517  1.00 24.31     0.138 C 
-ATOM   3721  NE  ARG B 170     108.746  75.826  -2.735  1.00 26.58    -0.227 N 
-ATOM   3722  HE  ARG B 170     107.840  75.668  -3.175  1.00  0.00     0.177 HD
-ATOM   3723  CZ  ARG B 170     108.758  76.295  -1.486  1.00 27.84     0.665 C 
-ATOM   3724  NH1 ARG B 170     109.930  76.525  -0.875  1.00 25.46    -0.235 N 
-ATOM   3725 1HH1 ARG B 170     109.939  76.884   0.080  1.00  0.00     0.174 HD
-ATOM   3726 2HH1 ARG B 170     110.813  76.337  -1.350  1.00  0.00     0.174 HD
-ATOM   3727  NH2 ARG B 170     107.595  76.543  -0.861  1.00 25.30    -0.235 N 
-ATOM   3728 1HH2 ARG B 170     107.604  76.902   0.094  1.00  0.00     0.174 HD
-ATOM   3729 2HH2 ARG B 170     106.704  76.368  -1.326  1.00  0.00     0.174 HD
-ATOM   3730  N   PHE B 171     107.221  70.675  -4.980  1.00 14.35    -0.346 N 
-ATOM   3731  HN  PHE B 171     106.371  71.130  -5.312  1.00  0.00     0.163 HD
-ATOM   3732  CA  PHE B 171     107.114  69.361  -4.345  1.00 14.62     0.180 C 
-ATOM   3733  C   PHE B 171     106.656  68.335  -5.348  1.00 14.98     0.241 C 
-ATOM   3734  O   PHE B 171     106.132  68.695  -6.387  1.00 15.30    -0.271 OA
-ATOM   3735  CB  PHE B 171     106.131  69.431  -3.188  1.00 12.99     0.073 C 
-ATOM   3736  CG  PHE B 171     106.494  70.493  -2.174  1.00 15.04    -0.056 A 
-ATOM   3737  CD1 PHE B 171     107.421  70.234  -1.178  1.00 12.78     0.007 A 
-ATOM   3738  CD2 PHE B 171     105.969  71.780  -2.266  1.00 16.51     0.007 A 
-ATOM   3739  CE1 PHE B 171     107.778  71.229  -0.242  1.00 14.88     0.001 A 
-ATOM   3740  CE2 PHE B 171     106.325  72.774  -1.350  1.00 17.49     0.001 A 
-ATOM   3741  CZ  PHE B 171     107.229  72.494  -0.323  1.00 14.79     0.000 A 
-ATOM   3742  N   GLU B 172     106.853  67.063  -5.036  1.00 15.72    -0.346 N 
-ATOM   3743  HN  GLU B 172     107.477  66.824  -4.265  1.00  0.00     0.163 HD
-ATOM   3744  CA  GLU B 172     106.191  66.004  -5.779  1.00 16.61     0.177 C 
-ATOM   3745  C   GLU B 172     105.577  65.008  -4.814  1.00 16.94     0.241 C 
-ATOM   3746  O   GLU B 172     106.126  64.789  -3.738  1.00 16.91    -0.271 OA
-ATOM   3747  CB  GLU B 172     107.162  65.309  -6.700  1.00 17.16     0.045 C 
-ATOM   3748  CG  GLU B 172     108.412  64.778  -6.022  1.00 18.31     0.116 C 
-ATOM   3749  CD  GLU B 172     109.389  64.169  -6.990  1.00 22.48     0.172 C 
-ATOM   3750  OE1 GLU B 172     109.013  63.961  -8.172  1.00 25.00    -0.648 OA
-ATOM   3751  OE2 GLU B 172     110.558  63.871  -6.577  1.00 22.90    -0.648 OA
-ATOM   3752  N   ILE B 173     104.432  64.441  -5.194  1.00 17.19    -0.346 N 
-ATOM   3753  HN  ILE B 173     104.033  64.706  -6.095  1.00  0.00     0.163 HD
-ATOM   3754  CA  ILE B 173     103.728  63.466  -4.387  1.00 17.76     0.180 C 
-ATOM   3755  C   ILE B 173     104.190  62.059  -4.757  1.00 18.09     0.241 C 
-ATOM   3756  O   ILE B 173     104.190  61.687  -5.918  1.00 17.94    -0.271 OA
-ATOM   3757  CB  ILE B 173     102.224  63.603  -4.614  1.00 18.10     0.013 C 
-ATOM   3758  CG1 ILE B 173     101.750  64.968  -4.085  1.00 18.52     0.002 C 
-ATOM   3759  CG2 ILE B 173     101.468  62.391  -3.975  1.00 17.78     0.012 C 
-ATOM   3760  CD1 ILE B 173     100.268  65.206  -4.255  1.00 20.38     0.005 C 
-ATOM   3761  N   LEU B 174     104.593  61.293  -3.757  1.00 18.57    -0.346 N 
-ATOM   3762  HN  LEU B 174     104.563  61.657  -2.805  1.00  0.00     0.163 HD
-ATOM   3763  CA  LEU B 174     105.082  59.930  -3.992  1.00 19.24     0.177 C 
-ATOM   3764  C   LEU B 174     103.950  58.930  -3.859  1.00 19.46     0.241 C 
-ATOM   3765  O   LEU B 174     103.942  57.941  -4.550  1.00 19.66    -0.271 OA
-ATOM   3766  CB  LEU B 174     106.228  59.562  -3.033  1.00 18.99     0.038 C 
-ATOM   3767  CG  LEU B 174     107.430  60.506  -3.065  1.00 19.32    -0.020 C 
-ATOM   3768  CD1 LEU B 174     108.359  60.238  -1.925  1.00 19.16     0.009 C 
-ATOM   3769  CD2 LEU B 174     108.160  60.398  -4.415  1.00 18.74     0.009 C 
-ATOM   3770  N   ASP B 175     103.006  59.213  -2.971  1.00 20.01    -0.346 N 
-ATOM   3771  HN  ASP B 175     103.040  60.122  -2.509  1.00  0.00     0.163 HD
-ATOM   3772  CA  ASP B 175     101.925  58.306  -2.616  1.00 21.06     0.186 C 
-ATOM   3773  C   ASP B 175     100.882  59.002  -1.739  1.00 20.82     0.241 C 
-ATOM   3774  O   ASP B 175     101.219  59.833  -0.905  1.00 20.33    -0.271 OA
-ATOM   3775  CB  ASP B 175     102.460  57.089  -1.848  1.00 21.70     0.147 C 
-ATOM   3776  CG  ASP B 175     101.709  55.787  -2.183  1.00 24.33     0.175 C 
-ATOM   3777  OD1 ASP B 175     100.625  55.833  -2.820  1.00 26.37    -0.648 OA
-ATOM   3778  OD2 ASP B 175     102.148  54.661  -1.841  1.00 27.80    -0.648 OA
-ATOM   3779  N   VAL B 176      99.627  58.622  -1.951  1.00 21.09    -0.346 N 
-ATOM   3780  HN  VAL B 176      99.431  58.064  -2.782  1.00  0.00     0.163 HD
-ATOM   3781  CA  VAL B 176      98.518  58.950  -1.076  1.00 21.87     0.180 C 
-ATOM   3782  C   VAL B 176      97.789  57.664  -0.648  1.00 22.57     0.241 C 
-ATOM   3783  O   VAL B 176      97.333  56.908  -1.489  1.00 22.96    -0.271 OA
-ATOM   3784  CB  VAL B 176      97.526  59.944  -1.761  1.00 21.90     0.009 C 
-ATOM   3785  CG1 VAL B 176      96.429  60.368  -0.802  1.00 20.92     0.012 C 
-ATOM   3786  CG2 VAL B 176      98.257  61.173  -2.298  1.00 20.55     0.012 C 
-ATOM   3787  N   THR B 177      97.721  57.398   0.655  1.00 23.12    -0.344 N 
-ATOM   3788  HN  THR B 177      98.249  57.977   1.308  1.00  0.00     0.163 HD
-ATOM   3789  CA  THR B 177      96.904  56.290   1.178  1.00 23.74     0.205 C 
-ATOM   3790  C   THR B 177      95.868  56.763   2.180  1.00 23.58     0.243 C 
-ATOM   3791  O   THR B 177      96.012  57.841   2.739  1.00 23.19    -0.271 OA
-ATOM   3792  CB  THR B 177      97.775  55.221   1.830  1.00 24.04     0.146 C 
-ATOM   3793  CG2 THR B 177      98.733  54.566   0.787  1.00 24.35     0.042 C 
-ATOM   3794  OG1 THR B 177      98.639  55.836   2.799  1.00 24.94    -0.393 OA
-ATOM   3795  HG1 THR B 177      99.181  55.170   3.205  1.00  0.00     0.210 HD
-ATOM   3796  N   GLN B 178      94.850  55.936   2.410  1.00 22.35    -0.346 N 
-ATOM   3797  HN  GLN B 178      94.819  55.054   1.899  1.00  0.00     0.163 HD
-ATOM   3798  CA  GLN B 178      93.773  56.228   3.359  1.00 22.56     0.177 C 
-ATOM   3799  C   GLN B 178      93.513  55.059   4.321  1.00 21.67     0.241 C 
-ATOM   3800  O   GLN B 178      93.773  53.906   3.996  1.00 19.44    -0.271 OA
-ATOM   3801  CB  GLN B 178      92.465  56.531   2.613  1.00 23.96     0.044 C 
-ATOM   3802  CG  GLN B 178      92.592  57.549   1.480  1.00 27.46     0.105 C 
-ATOM   3803  CD  GLN B 178      93.067  56.928   0.170  1.00 33.02     0.215 C 
-ATOM   3804  NE2 GLN B 178      93.948  57.653  -0.538  1.00 33.86    -0.370 N 
-ATOM   3805 1HE2 GLN B 178      94.266  57.238  -1.414  1.00  0.00     0.159 HD
-ATOM   3806 2HE2 GLN B 178      94.286  58.565  -0.231  1.00  0.00     0.159 HD
-ATOM   3807  OE1 GLN B 178      92.651  55.805  -0.208  1.00 36.80    -0.274 OA
-ATOM   3808  N   LYS B 179      92.992  55.371   5.507  1.00 20.89    -0.346 N 
-ATOM   3809  HN  LYS B 179      92.828  56.350   5.741  1.00  0.00     0.163 HD
-ATOM   3810  CA  LYS B 179      92.650  54.327   6.485  1.00 19.82     0.176 C 
-ATOM   3811  C   LYS B 179      91.463  54.878   7.262  1.00 18.70     0.241 C 
-ATOM   3812  O   LYS B 179      91.459  56.059   7.617  1.00 17.52    -0.271 OA
-ATOM   3813  CB  LYS B 179      93.856  54.079   7.393  1.00 20.45     0.035 C 
-ATOM   3814  CG  LYS B 179      93.673  52.972   8.405  1.00 23.23     0.004 C 
-ATOM   3815  CD  LYS B 179      94.999  52.482   8.957  1.00 26.90     0.027 C 
-ATOM   3816  CE  LYS B 179      94.812  51.900  10.372  1.00 28.95     0.229 C 
-ATOM   3817  NZ  LYS B 179      94.723  53.000  11.396  1.00 28.50    -0.079 N 
-ATOM   3818  HZ1 LYS B 179      94.599  52.615  12.332  1.00  0.00     0.274 HD
-ATOM   3819  HZ2 LYS B 179      93.991  53.672  11.165  1.00  0.00     0.274 HD
-ATOM   3820  HZ3 LYS B 179      95.527  53.625  11.349  1.00  0.00     0.274 HD
-ATOM   3821  N   LYS B 180      90.440  54.061   7.503  1.00 17.22    -0.346 N 
-ATOM   3822  HN  LYS B 180      90.423  53.126   7.096  1.00  0.00     0.163 HD
-ATOM   3823  CA  LYS B 180      89.345  54.510   8.352  1.00 16.62     0.176 C 
-ATOM   3824  C   LYS B 180      89.767  54.250   9.777  1.00 15.92     0.241 C 
-ATOM   3825  O   LYS B 180      90.453  53.237  10.041  1.00 15.55    -0.271 OA
-ATOM   3826  CB  LYS B 180      88.022  53.803   8.055  1.00 18.12     0.035 C 
-ATOM   3827  CG  LYS B 180      87.738  53.279   6.639  1.00 19.01     0.004 C 
-ATOM   3828  CD  LYS B 180      86.667  52.124   6.743  1.00 23.56     0.027 C 
-ATOM   3829  CE  LYS B 180      87.193  50.824   6.072  1.00 24.95     0.229 C 
-ATOM   3830  NZ  LYS B 180      86.850  49.540   6.780  1.00 27.71    -0.079 N 
-ATOM   3831  HZ1 LYS B 180      87.195  48.687   6.340  1.00  0.00     0.274 HD
-ATOM   3832  HZ2 LYS B 180      85.841  49.477   6.918  1.00  0.00     0.274 HD
-ATOM   3833  HZ3 LYS B 180      87.163  49.583   7.750  1.00  0.00     0.274 HD
-ATOM   3834  N   ASN B 181      89.443  55.166  10.689  1.00 13.96    -0.346 N 
-ATOM   3835  HN  ASN B 181      89.105  56.079  10.385  1.00  0.00     0.163 HD
-ATOM   3836  CA  ASN B 181      89.564  54.883  12.120  1.00 14.46     0.185 C 
-ATOM   3837  C   ASN B 181      88.246  55.179  12.783  1.00 14.25     0.241 C 
-ATOM   3838  O   ASN B 181      87.377  55.749  12.164  1.00 15.47    -0.271 OA
-ATOM   3839  CB  ASN B 181      90.680  55.680  12.847  1.00 14.14     0.137 C 
-ATOM   3840  CG  ASN B 181      92.068  55.426  12.272  1.00 16.57     0.217 C 
-ATOM   3841  ND2 ASN B 181      92.478  56.304  11.328  1.00 15.62    -0.370 N 
-ATOM   3842 1HD2 ASN B 181      91.916  57.100  11.027  1.00  0.00     0.159 HD
-ATOM   3843 2HD2 ASN B 181      93.407  56.134  10.943  1.00  0.00     0.159 HD
-ATOM   3844  OD1 ASN B 181      92.772  54.428  12.649  1.00 14.46    -0.274 OA
-ATOM   3845  N   SER B 182      88.101  54.804  14.049  1.00 14.71    -0.344 N 
-ATOM   3846  HN  SER B 182      88.813  54.223  14.492  1.00  0.00     0.163 HD
-ATOM   3847  CA  SER B 182      86.943  55.214  14.798  1.00 14.97     0.200 C 
-ATOM   3848  C   SER B 182      87.336  55.410  16.241  1.00 15.39     0.243 C 
-ATOM   3849  O   SER B 182      87.809  54.470  16.890  1.00 15.67    -0.271 OA
-ATOM   3850  CB  SER B 182      85.851  54.173  14.695  1.00 15.04     0.199 C 
-ATOM   3851  OG  SER B 182      84.621  54.865  14.680  1.00 18.64    -0.398 OA
-ATOM   3852  HG  SER B 182      83.935  54.211  14.615  1.00  0.00     0.209 HD
-ATOM   3853  N   VAL B 183      87.086  56.602  16.762  1.00 14.32    -0.346 N 
-ATOM   3854  HN  VAL B 183      86.510  57.274  16.255  1.00  0.00     0.163 HD
-ATOM   3855  CA  VAL B 183      87.637  56.943  18.056  1.00 15.17     0.180 C 
-ATOM   3856  C   VAL B 183      86.628  57.531  19.033  1.00 14.90     0.241 C 
-ATOM   3857  O   VAL B 183      85.596  58.083  18.668  1.00 12.33    -0.271 OA
-ATOM   3858  CB  VAL B 183      88.912  57.871  17.995  1.00 15.91     0.009 C 
-ATOM   3859  CG1 VAL B 183      90.113  57.080  18.213  1.00 18.83     0.012 C 
-ATOM   3860  CG2 VAL B 183      89.031  58.618  16.682  1.00 14.90     0.012 C 
-ATOM   3861  N   THR B 184      86.952  57.326  20.298  1.00 14.98    -0.344 N 
-ATOM   3862  HN  THR B 184      87.771  56.755  20.507  1.00  0.00     0.163 HD
-ATOM   3863  CA  THR B 184      86.199  57.873  21.386  1.00 16.74     0.205 C 
-ATOM   3864  C   THR B 184      86.996  59.069  21.939  1.00 15.88     0.243 C 
-ATOM   3865  O   THR B 184      88.242  59.088  21.849  1.00 15.63    -0.271 OA
-ATOM   3866  CB  THR B 184      85.977  56.758  22.419  1.00 16.80     0.146 C 
-ATOM   3867  CG2 THR B 184      85.036  57.227  23.517  1.00 20.63     0.042 C 
-ATOM   3868  OG1 THR B 184      85.170  55.714  21.813  1.00 19.48    -0.393 OA
-ATOM   3869  HG1 THR B 184      85.033  55.024  22.452  1.00  0.00     0.210 HD
-ATOM   3870  N   TYR B 185      86.279  60.063  22.457  1.00 15.68    -0.346 N 
-ATOM   3871  HN  TYR B 185      85.262  59.993  22.428  1.00  0.00     0.163 HD
-ATOM   3872  CA  TYR B 185      86.879  61.259  23.070  1.00 16.14     0.180 C 
-ATOM   3873  C   TYR B 185      86.370  61.355  24.454  1.00 16.82     0.241 C 
-ATOM   3874  O   TYR B 185      85.281  60.850  24.743  1.00 16.94    -0.271 OA
-ATOM   3875  CB  TYR B 185      86.533  62.556  22.295  1.00 15.91     0.073 C 
-ATOM   3876  CG  TYR B 185      87.034  62.459  20.903  1.00 14.86    -0.056 A 
-ATOM   3877  CD1 TYR B 185      86.264  61.833  19.921  1.00 12.18     0.010 A 
-ATOM   3878  CD2 TYR B 185      88.297  62.935  20.560  1.00 15.05     0.010 A 
-ATOM   3879  CE1 TYR B 185      86.724  61.698  18.654  1.00 10.81     0.037 A 
-ATOM   3880  CE2 TYR B 185      88.783  62.787  19.284  1.00 11.62     0.037 A 
-ATOM   3881  CZ  TYR B 185      87.984  62.173  18.339  1.00 12.20     0.065 A 
-ATOM   3882  OH  TYR B 185      88.445  62.000  17.074  1.00 12.40    -0.361 OA
-ATOM   3883  HH  TYR B 185      89.311  62.326  16.858  1.00  0.00     0.217 HD
-ATOM   3884  N   SER B 186      87.142  62.013  25.315  1.00 18.23    -0.344 N 
-ATOM   3885  HN  SER B 186      88.007  62.437  24.980  1.00  0.00     0.163 HD
-ATOM   3886  CA  SER B 186      86.787  62.147  26.732  1.00 20.66     0.200 C 
-ATOM   3887  C   SER B 186      85.429  62.790  26.957  1.00 20.73     0.243 C 
-ATOM   3888  O   SER B 186      84.780  62.563  27.967  1.00 20.02    -0.271 OA
-ATOM   3889  CB  SER B 186      87.860  62.961  27.441  1.00 21.78     0.199 C 
-ATOM   3890  OG  SER B 186      89.016  62.140  27.624  1.00 26.13    -0.398 OA
-ATOM   3891  HG  SER B 186      89.686  62.648  28.067  1.00  0.00     0.209 HD
-ATOM   3892  N   CYS B 187      85.000  63.584  25.993  1.00 21.56    -0.345 N 
-ATOM   3893  HN  CYS B 187      85.524  63.631  25.119  1.00  0.00     0.163 HD
-ATOM   3894  CA  CYS B 187      83.805  64.391  26.143  1.00 23.46     0.186 C 
-ATOM   3895  C   CYS B 187      82.496  63.597  26.099  1.00 24.22     0.242 C 
-ATOM   3896  O   CYS B 187      81.479  64.004  26.680  1.00 25.37    -0.271 OA
-ATOM   3897  CB  CYS B 187      83.799  65.414  25.031  1.00 24.08     0.120 C 
-ATOM   3898  SG  CYS B 187      83.599  64.684  23.383  1.00 25.42    -0.095 SA
-ATOM   3899  N   CYS B 188      82.512  62.457  25.420  1.00 24.22    -0.345 N 
-ATOM   3900  HN  CYS B 188      83.400  61.984  25.251  1.00  0.00     0.163 HD
-ATOM   3901  CA  CYS B 188      81.280  61.873  24.914  1.00 23.90     0.186 C 
-ATOM   3902  C   CYS B 188      81.403  60.348  24.883  1.00 22.84     0.244 C 
-ATOM   3903  O   CYS B 188      82.498  59.827  24.676  1.00 22.97    -0.271 OA
-ATOM   3904  CB  CYS B 188      81.033  62.413  23.497  1.00 25.21     0.120 C 
-ATOM   3905  SG  CYS B 188      81.591  64.135  23.100  1.00 28.95    -0.095 SA
-ATOM   3906  N   PRO B 189      80.308  59.618  25.096  1.00 21.31    -0.337 N 
-ATOM   3907  CA  PRO B 189      80.403  58.150  25.203  1.00 19.81     0.179 C 
-ATOM   3908  C   PRO B 189      80.459  57.411  23.844  1.00 18.88     0.241 C 
-ATOM   3909  O   PRO B 189      80.714  56.203  23.820  1.00 17.61    -0.271 OA
-ATOM   3910  CB  PRO B 189      79.121  57.791  25.947  1.00 19.98     0.037 C 
-ATOM   3911  CG  PRO B 189      78.093  58.828  25.383  1.00 20.20     0.022 C 
-ATOM   3912  CD  PRO B 189      78.921  60.098  25.277  1.00 20.58     0.127 C 
-ATOM   3913  N   GLU B 190      80.225  58.084  22.731  1.00 16.58    -0.346 N 
-ATOM   3914  HN  GLU B 190      80.074  59.093  22.737  1.00  0.00     0.163 HD
-ATOM   3915  CA  GLU B 190      80.193  57.312  21.493  1.00 17.54     0.177 C 
-ATOM   3916  C   GLU B 190      81.421  57.423  20.584  1.00 17.38     0.241 C 
-ATOM   3917  O   GLU B 190      82.276  58.301  20.734  1.00 19.11    -0.271 OA
-ATOM   3918  CB  GLU B 190      78.861  57.414  20.731  1.00 15.63     0.045 C 
-ATOM   3919  CG  GLU B 190      77.667  57.015  21.590  1.00 16.95     0.116 C 
-ATOM   3920  CD  GLU B 190      76.363  56.886  20.827  1.00 16.52     0.172 C 
-ATOM   3921  OE1 GLU B 190      76.381  56.288  19.731  1.00 17.69    -0.648 OA
-ATOM   3922  OE2 GLU B 190      75.318  57.394  21.302  1.00 15.25    -0.648 OA
-ATOM   3923  N   ALA B 191      81.513  56.498  19.657  1.00 16.79    -0.346 N 
-ATOM   3924  HN  ALA B 191      80.789  55.783  19.587  1.00  0.00     0.163 HD
-ATOM   3925  CA  ALA B 191      82.620  56.479  18.739  1.00 16.08     0.172 C 
-ATOM   3926  C   ALA B 191      82.327  57.404  17.549  1.00 15.33     0.240 C 
-ATOM   3927  O   ALA B 191      81.204  57.458  17.036  1.00 14.27    -0.271 OA
-ATOM   3928  CB  ALA B 191      82.881  55.069  18.288  1.00 15.78     0.042 C 
-ATOM   3929  N   TYR B 192      83.367  58.093  17.107  1.00 15.08    -0.346 N 
-ATOM   3930  HN  TYR B 192      84.255  58.016  17.603  1.00  0.00     0.163 HD
-ATOM   3931  CA  TYR B 192      83.287  58.965  15.926  1.00 15.87     0.180 C 
-ATOM   3932  C   TYR B 192      84.191  58.433  14.815  1.00 16.52     0.241 C 
-ATOM   3933  O   TYR B 192      85.344  58.076  15.055  1.00 16.65    -0.271 OA
-ATOM   3934  CB  TYR B 192      83.685  60.408  16.301  1.00 14.95     0.073 C 
-ATOM   3935  CG  TYR B 192      82.692  61.042  17.241  1.00 15.08    -0.056 A 
-ATOM   3936  CD1 TYR B 192      82.753  60.794  18.604  1.00 15.46     0.010 A 
-ATOM   3937  CD2 TYR B 192      81.677  61.874  16.765  1.00 14.89     0.010 A 
-ATOM   3938  CE1 TYR B 192      81.835  61.360  19.475  1.00 16.40     0.037 A 
-ATOM   3939  CE2 TYR B 192      80.755  62.463  17.638  1.00 15.38     0.037 A 
-ATOM   3940  CZ  TYR B 192      80.844  62.184  18.986  1.00 15.75     0.065 A 
-ATOM   3941  OH  TYR B 192      79.986  62.684  19.898  1.00 16.86    -0.361 OA
-ATOM   3942  HH  TYR B 192      79.303  63.252  19.561  1.00  0.00     0.217 HD
-ATOM   3943  N   GLU B 193      83.677  58.393  13.597  1.00 16.92    -0.346 N 
-ATOM   3944  HN  GLU B 193      82.712  58.681  13.436  1.00  0.00     0.163 HD
-ATOM   3945  CA  GLU B 193      84.497  57.937  12.494  1.00 17.87     0.177 C 
-ATOM   3946  C   GLU B 193      85.339  59.035  11.832  1.00 18.42     0.241 C 
-ATOM   3947  O   GLU B 193      84.909  60.209  11.677  1.00 17.02    -0.271 OA
-ATOM   3948  CB  GLU B 193      83.650  57.205  11.459  1.00 17.75     0.045 C 
-ATOM   3949  CG  GLU B 193      83.061  55.916  12.036  1.00 18.12     0.116 C 
-ATOM   3950  CD  GLU B 193      82.372  55.052  10.996  1.00 19.87     0.172 C 
-ATOM   3951  OE1 GLU B 193      82.492  55.363   9.783  1.00 20.00    -0.648 OA
-ATOM   3952  OE2 GLU B 193      81.713  54.070  11.413  1.00 21.38    -0.648 OA
-ATOM   3953  N   ASP B 194      86.525  58.608  11.396  1.00 18.96    -0.346 N 
-ATOM   3954  HN  ASP B 194      86.833  57.660  11.615  1.00  0.00     0.163 HD
-ATOM   3955  CA  ASP B 194      87.377  59.476  10.617  1.00 19.90     0.186 C 
-ATOM   3956  C   ASP B 194      88.066  58.762   9.458  1.00 19.88     0.241 C 
-ATOM   3957  O   ASP B 194      88.225  57.508   9.450  1.00 18.95    -0.271 OA
-ATOM   3958  CB  ASP B 194      88.381  60.194  11.524  1.00 20.57     0.147 C 
-ATOM   3959  CG  ASP B 194      89.462  59.278  12.082  1.00 24.62     0.175 C 
-ATOM   3960  OD1 ASP B 194      90.329  58.794  11.309  1.00 27.78    -0.648 OA
-ATOM   3961  OD2 ASP B 194      89.559  59.019  13.313  1.00 29.39    -0.648 OA
-ATOM   3962  N   VAL B 195      88.438  59.536   8.450  1.00 18.98    -0.346 N 
-ATOM   3963  HN  VAL B 195      88.048  60.473   8.348  1.00  0.00     0.163 HD
-ATOM   3964  CA  VAL B 195      89.407  59.035   7.492  1.00 19.47     0.180 C 
-ATOM   3965  C   VAL B 195      90.759  59.725   7.707  1.00 18.92     0.241 C 
-ATOM   3966  O   VAL B 195      90.815  60.935   7.851  1.00 18.29    -0.271 OA
-ATOM   3967  CB  VAL B 195      88.918  59.203   6.052  1.00 19.82     0.009 C 
-ATOM   3968  CG1 VAL B 195      90.029  58.826   5.062  1.00 20.76     0.012 C 
-ATOM   3969  CG2 VAL B 195      87.699  58.300   5.824  1.00 20.28     0.012 C 
-ATOM   3970  N   GLU B 196      91.827  58.937   7.746  1.00 18.47    -0.346 N 
-ATOM   3971  HN  GLU B 196      91.695  57.926   7.742  1.00  0.00     0.163 HD
-ATOM   3972  CA  GLU B 196      93.187  59.475   7.795  1.00 18.90     0.177 C 
-ATOM   3973  C   GLU B 196      93.792  59.417   6.427  1.00 18.30     0.241 C 
-ATOM   3974  O   GLU B 196      93.917  58.353   5.856  1.00 18.51    -0.271 OA
-ATOM   3975  CB  GLU B 196      94.082  58.735   8.799  1.00 18.88     0.045 C 
-ATOM   3976  CG  GLU B 196      94.007  59.359  10.203  1.00 23.32     0.116 C 
-ATOM   3977  CD  GLU B 196      94.564  58.488  11.343  1.00 28.10     0.172 C 
-ATOM   3978  OE1 GLU B 196      95.176  57.399  11.070  1.00 28.76    -0.648 OA
-ATOM   3979  OE2 GLU B 196      94.368  58.908  12.531  1.00 28.82    -0.648 OA
-ATOM   3980  N   VAL B 197      94.154  60.573   5.882  1.00 17.80    -0.346 N 
-ATOM   3981  HN  VAL B 197      94.001  61.439   6.399  1.00  0.00     0.163 HD
-ATOM   3982  CA  VAL B 197      94.767  60.630   4.558  1.00 17.43     0.180 C 
-ATOM   3983  C   VAL B 197      96.259  60.908   4.720  1.00 17.20     0.241 C 
-ATOM   3984  O   VAL B 197      96.660  61.959   5.265  1.00 16.51    -0.271 OA
-ATOM   3985  CB  VAL B 197      94.092  61.710   3.694  1.00 17.82     0.009 C 
-ATOM   3986  CG1 VAL B 197      94.769  61.845   2.328  1.00 17.17     0.012 C 
-ATOM   3987  CG2 VAL B 197      92.607  61.399   3.519  1.00 17.86     0.012 C 
-ATOM   3988  N   SER B 198      97.069  59.941   4.307  1.00 16.70    -0.344 N 
-ATOM   3989  HN  SER B 198      96.655  59.103   3.898  1.00  0.00     0.163 HD
-ATOM   3990  CA  SER B 198      98.525  60.017   4.409  1.00 16.93     0.200 C 
-ATOM   3991  C   SER B 198      99.136  60.452   3.081  1.00 17.08     0.243 C 
-ATOM   3992  O   SER B 198      99.094  59.717   2.105  1.00 16.71    -0.271 OA
-ATOM   3993  CB  SER B 198      99.131  58.679   4.848  1.00 17.34     0.199 C 
-ATOM   3994  OG  SER B 198      98.731  58.373   6.179  1.00 19.49    -0.398 OA
-ATOM   3995  HG  SER B 198      99.107  57.544   6.451  1.00  0.00     0.209 HD
-ATOM   3996  N   LEU B 199      99.678  61.666   3.071  1.00 16.60    -0.346 N 
-ATOM   3997  HN  LEU B 199      99.656  62.202   3.939  1.00  0.00     0.163 HD
-ATOM   3998  CA  LEU B 199     100.293  62.277   1.923  1.00 16.45     0.177 C 
-ATOM   3999  C   LEU B 199     101.827  62.118   2.036  1.00 16.00     0.241 C 
-ATOM   4000  O   LEU B 199     102.475  62.731   2.887  1.00 15.87    -0.271 OA
-ATOM   4001  CB  LEU B 199      99.915  63.765   1.886  1.00 16.56     0.038 C 
-ATOM   4002  CG  LEU B 199     100.581  64.714   0.857  1.00 17.90    -0.020 C 
-ATOM   4003  CD1 LEU B 199     100.204  64.336  -0.573  1.00 18.06     0.009 C 
-ATOM   4004  CD2 LEU B 199     100.220  66.162   1.130  1.00 18.50     0.009 C 
-ATOM   4005  N   ASN B 200     102.383  61.280   1.179  1.00 15.48    -0.346 N 
-ATOM   4006  HN  ASN B 200     101.779  60.787   0.522  1.00  0.00     0.163 HD
-ATOM   4007  CA  ASN B 200     103.815  61.026   1.127  1.00 15.44     0.185 C 
-ATOM   4008  C   ASN B 200     104.379  61.899   0.012  1.00 14.79     0.241 C 
-ATOM   4009  O   ASN B 200     104.066  61.678  -1.166  1.00 14.47    -0.271 OA
-ATOM   4010  CB  ASN B 200     104.099  59.533   0.865  1.00 15.52     0.137 C 
-ATOM   4011  CG  ASN B 200     105.604  59.180   0.905  1.00 16.94     0.217 C 
-ATOM   4012  ND2 ASN B 200     106.377  59.954   1.669  1.00 17.87    -0.370 N 
-ATOM   4013 1HD2 ASN B 200     107.370  59.721   1.695  1.00  0.00     0.159 HD
-ATOM   4014 2HD2 ASN B 200     106.006  60.742   2.200  1.00  0.00     0.159 HD
-ATOM   4015  OD1 ASN B 200     106.058  58.214   0.255  1.00 17.27    -0.274 OA
-ATOM   4016  N   PHE B 201     105.170  62.905   0.389  1.00 13.68    -0.346 N 
-ATOM   4017  HN  PHE B 201     105.422  62.992   1.373  1.00  0.00     0.163 HD
-ATOM   4018  CA  PHE B 201     105.687  63.887  -0.565  1.00 13.32     0.180 C 
-ATOM   4019  C   PHE B 201     107.127  64.321  -0.223  1.00 12.49     0.241 C 
-ATOM   4020  O   PHE B 201     107.579  64.067   0.867  1.00 12.54    -0.271 OA
-ATOM   4021  CB  PHE B 201     104.756  65.101  -0.623  1.00 13.55     0.073 C 
-ATOM   4022  CG  PHE B 201     104.824  65.987   0.590  1.00 14.90    -0.056 A 
-ATOM   4023  CD1 PHE B 201     104.258  65.599   1.793  1.00 14.57     0.007 A 
-ATOM   4024  CD2 PHE B 201     105.456  67.216   0.518  1.00 15.67     0.007 A 
-ATOM   4025  CE1 PHE B 201     104.331  66.416   2.903  1.00 15.65     0.001 A 
-ATOM   4026  CE2 PHE B 201     105.524  68.054   1.626  1.00 15.81     0.001 A 
-ATOM   4027  CZ  PHE B 201     104.969  67.651   2.825  1.00 15.93     0.000 A 
-ATOM   4028  N   ARG B 202     107.835  64.990  -1.135  1.00  9.35    -0.346 N 
-ATOM   4029  HN  ARG B 202     107.428  65.137  -2.059  1.00  0.00     0.163 HD
-ATOM   4030  CA  ARG B 202     109.178  65.524  -0.863  1.00  8.28     0.176 C 
-ATOM   4031  C   ARG B 202     109.489  66.754  -1.743  1.00  7.93     0.241 C 
-ATOM   4032  O   ARG B 202     108.835  66.956  -2.767  1.00  7.02    -0.271 OA
-ATOM   4033  CB  ARG B 202     110.270  64.458  -1.097  1.00  7.32     0.036 C 
-ATOM   4034  CG  ARG B 202     110.503  64.126  -2.559  1.00  5.94     0.023 C 
-ATOM   4035  CD  ARG B 202     111.354  62.865  -2.834  1.00  5.73     0.138 C 
-ATOM   4036  NE  ARG B 202     111.370  62.590  -4.269  1.00  3.95    -0.227 N 
-ATOM   4037  HE  ARG B 202     111.073  63.341  -4.892  1.00  0.00     0.177 HD
-ATOM   4038  CZ  ARG B 202     111.739  61.443  -4.832  1.00  7.29     0.665 C 
-ATOM   4039  NH1 ARG B 202     112.157  60.415  -4.100  1.00  5.47    -0.235 N 
-ATOM   4040 1HH1 ARG B 202     112.182  60.504  -3.084  1.00  0.00     0.174 HD
-ATOM   4041 2HH1 ARG B 202     112.440  59.535  -4.532  1.00  0.00     0.174 HD
-ATOM   4042  NH2 ARG B 202     111.707  61.328  -6.149  1.00  3.85    -0.235 N 
-ATOM   4043 1HH2 ARG B 202     111.386  62.117  -6.711  1.00  0.00     0.174 HD
-ATOM   4044 2HH2 ARG B 202     111.990  60.448  -6.581  1.00  0.00     0.174 HD
-ATOM   4045  N   LYS B 203     110.501  67.545  -1.387  1.00  7.67    -0.346 N 
-ATOM   4046  HN  LYS B 203     110.988  67.408  -0.502  1.00  0.00     0.163 HD
-ATOM   4047  CA  LYS B 203     110.894  68.621  -2.308  1.00  9.85     0.176 C 
-ATOM   4048  C   LYS B 203     111.578  68.013  -3.548  1.00  9.80     0.241 C 
-ATOM   4049  O   LYS B 203     112.111  66.890  -3.487  1.00  9.26    -0.271 OA
-ATOM   4050  CB  LYS B 203     111.743  69.723  -1.635  1.00 10.64     0.035 C 
-ATOM   4051  CG  LYS B 203     111.316  70.102  -0.163  1.00 13.08     0.004 C 
-ATOM   4052  CD  LYS B 203     111.348  71.666   0.087  1.00 18.19     0.027 C 
-ATOM   4053  CE  LYS B 203     112.165  72.128   1.339  1.00 16.53     0.229 C 
-ATOM   4054  NZ  LYS B 203     112.897  73.464   1.052  1.00 15.69    -0.079 N 
-ATOM   4055  HZ1 LYS B 203     113.430  73.765   1.868  1.00  0.00     0.274 HD
-ATOM   4056  HZ2 LYS B 203     112.253  74.187   0.733  1.00  0.00     0.274 HD
-ATOM   4057  HZ3 LYS B 203     113.483  73.403   0.219  1.00  0.00     0.274 HD
-ATOM   4058  N   LYS B 204     111.519  68.729  -4.668  1.00  9.26    -0.346 N 
-ATOM   4059  HN  LYS B 204     110.990  69.601  -4.669  1.00  0.00     0.163 HD
-ATOM   4060  CA  LYS B 204     112.173  68.315  -5.871  1.00 10.34     0.176 C 
-ATOM   4061  C   LYS B 204     113.620  68.767  -5.750  1.00 11.51     0.240 C 
-ATOM   4062  O   LYS B 204     113.943  69.563  -4.868  1.00 12.20    -0.271 OA
-ATOM   4063  CB  LYS B 204     111.522  68.978  -7.111  1.00 11.33     0.035 C 
-ATOM   4064  CG  LYS B 204     110.065  68.574  -7.398  1.00  9.47     0.004 C 
-ATOM   4065  CD  LYS B 204     109.640  69.107  -8.787  1.00 13.85     0.027 C 
-ATOM   4066  CE  LYS B 204     108.121  69.025  -8.969  1.00 11.36     0.229 C 
-ATOM   4067  NZ  LYS B 204     107.693  69.598 -10.249  1.00 11.79    -0.079 N 
-ATOM   4068  HZ1 LYS B 204     106.682  69.543 -10.370  1.00  0.00     0.274 HD
-ATOM   4069  HZ2 LYS B 204     108.184  69.166 -11.032  1.00  0.00     0.274 HD
-ATOM   4070  HZ3 LYS B 204     108.029  70.555 -10.358  1.00  0.00     0.274 HD
-ATOM   4071  N   GLY B 205     114.484  68.265  -6.627  1.00 11.44    -0.353 N 
-ATOM   4072  HN  GLY B 205     114.162  67.552  -7.281  1.00  0.00     0.162 HD
-ATOM   4073  CA  GLY B 205     115.875  68.698  -6.687  1.00 13.31     0.192 C 
-ATOM   4074  C   GLY B 205     116.025  69.948  -7.537  1.00 14.38     0.250 C 
-ATOM   4075  O   GLY B 205     115.023  70.656  -7.818  1.00 15.41    -0.305 OA
-TER    4076      GLY B 205 
-ATOM   4076  N   GLU C   0      56.073  60.939  19.810  1.00 25.47    -0.066 N 
-ATOM   4077  HN1 GLU C   0      56.513  61.626  20.423  1.00  0.00     0.275 HD
-ATOM   4078  HN2 GLU C   0      55.784  60.108  20.325  1.00  0.00     0.275 HD
-ATOM   4079  HN3 GLU C   0      55.156  61.253  19.492  1.00  0.00     0.275 HD
-ATOM   4080  CA  GLU C   0      56.968  60.590  18.656  1.00 25.61     0.275 C 
-ATOM   4081  C   GLU C   0      57.362  61.816  17.823  1.00 25.13     0.249 C 
-ATOM   4082  O   GLU C   0      56.498  62.464  17.219  1.00 25.35    -0.271 OA
-ATOM   4083  CB  GLU C   0      56.309  59.561  17.738  1.00 26.30     0.053 C 
-ATOM   4084  CG  GLU C   0      56.850  58.131  17.846  1.00 29.33     0.115 C 
-ATOM   4085  CD  GLU C   0      56.042  57.105  17.032  1.00 32.51     0.172 C 
-ATOM   4086  OE1 GLU C   0      56.396  56.881  15.850  1.00 32.38    -0.648 OA
-ATOM   4087  OE2 GLU C   0      55.056  56.505  17.562  1.00 35.81    -0.648 OA
-ATOM   4088  N   PHE C   1      58.666  62.110  17.796  1.00 23.08    -0.346 N 
-ATOM   4089  HN  PHE C   1      59.285  61.603  18.428  1.00  0.00     0.163 HD
-ATOM   4090  CA  PHE C   1      59.254  63.110  16.918  1.00 22.54     0.180 C 
-ATOM   4091  C   PHE C   1      60.400  62.484  16.161  1.00 21.62     0.241 C 
-ATOM   4092  O   PHE C   1      61.104  61.644  16.709  1.00 21.68    -0.271 OA
-ATOM   4093  CB  PHE C   1      59.839  64.274  17.731  1.00 22.60     0.073 C 
-ATOM   4094  CG  PHE C   1      58.922  64.816  18.763  1.00 24.55    -0.056 A 
-ATOM   4095  CD1 PHE C   1      57.816  65.581  18.389  1.00 26.47     0.007 A 
-ATOM   4096  CD2 PHE C   1      59.148  64.568  20.111  1.00 25.90     0.007 A 
-ATOM   4097  CE1 PHE C   1      56.942  66.110  19.355  1.00 28.25     0.001 A 
-ATOM   4098  CE2 PHE C   1      58.277  65.083  21.091  1.00 27.22     0.001 A 
-ATOM   4099  CZ  PHE C   1      57.172  65.863  20.713  1.00 28.44     0.000 A 
-ATOM   4100  N   ASP C   2      60.590  62.895  14.915  1.00 20.70    -0.345 N 
-ATOM   4101  HN  ASP C   2      59.861  63.428  14.440  1.00  0.00     0.163 HD
-ATOM   4102  CA  ASP C   2      61.830  62.591  14.223  1.00 20.16     0.186 C 
-ATOM   4103  C   ASP C   2      62.780  63.783  14.360  1.00 19.29     0.241 C 
-ATOM   4104  O   ASP C   2      62.388  64.847  14.931  1.00 18.61    -0.271 OA
-ATOM   4105  CB  ASP C   2      61.590  62.151  12.768  1.00 20.56     0.147 C 
-ATOM   4106  CG  ASP C   2      60.963  63.235  11.905  1.00 21.91     0.175 C 
-ATOM   4107  OD1 ASP C   2      60.967  64.419  12.297  1.00 22.61    -0.648 OA
-ATOM   4108  OD2 ASP C   2      60.438  62.988  10.804  1.00 23.74    -0.648 OA
-ATOM   4109  N   ARG C   3      64.001  63.616  13.852  1.00 18.29    -0.346 N 
-ATOM   4110  HN  ARG C   3      64.231  62.735  13.392  1.00  0.00     0.163 HD
-ATOM   4111  CA  ARG C   3      65.013  64.654  13.936  1.00 17.70     0.176 C 
-ATOM   4112  C   ARG C   3      64.517  65.983  13.367  1.00 16.83     0.241 C 
-ATOM   4113  O   ARG C   3      64.726  67.020  13.994  1.00 17.15    -0.271 OA
-ATOM   4114  CB  ARG C   3      66.293  64.212  13.226  1.00 18.01     0.036 C 
-ATOM   4115  CG  ARG C   3      67.286  63.538  14.120  1.00 18.45     0.023 C 
-ATOM   4116  CD  ARG C   3      68.310  62.678  13.371  1.00 19.42     0.138 C 
-ATOM   4117  NE  ARG C   3      69.116  61.933  14.329  1.00 22.24    -0.227 N 
-ATOM   4118  HE  ARG C   3      69.847  62.440  14.828  1.00  0.00     0.177 HD
-ATOM   4119  CZ  ARG C   3      68.968  60.639  14.600  1.00 25.81     0.665 C 
-ATOM   4120  NH1 ARG C   3      68.055  59.884  13.963  1.00 27.44    -0.235 N 
-ATOM   4121 1HH1 ARG C   3      67.447  60.307  13.262  1.00  0.00     0.174 HD
-ATOM   4122 2HH1 ARG C   3      67.942  58.892  14.171  1.00  0.00     0.174 HD
-ATOM   4123  NH2 ARG C   3      69.758  60.090  15.511  1.00 26.47    -0.235 N 
-ATOM   4124 1HH2 ARG C   3      70.450  60.663  15.994  1.00  0.00     0.174 HD
-ATOM   4125 2HH2 ARG C   3      69.645  59.098  15.719  1.00  0.00     0.174 HD
-ATOM   4126  N   ALA C   4      63.871  65.939  12.202  1.00 15.65    -0.346 N 
-ATOM   4127  HN  ALA C   4      63.794  65.037  11.732  1.00  0.00     0.163 HD
-ATOM   4128  CA  ALA C   4      63.269  67.098  11.559  1.00 15.45     0.172 C 
-ATOM   4129  C   ALA C   4      62.319  67.858  12.483  1.00 15.61     0.240 C 
-ATOM   4130  O   ALA C   4      62.377  69.104  12.594  1.00 14.57    -0.271 OA
-ATOM   4131  CB  ALA C   4      62.547  66.683  10.274  1.00 15.34     0.042 C 
-ATOM   4132  N   ASP C   5      61.447  67.120  13.169  1.00 15.43    -0.346 N 
-ATOM   4133  HN  ASP C   5      61.417  66.110  13.033  1.00  0.00     0.163 HD
-ATOM   4134  CA  ASP C   5      60.526  67.760  14.123  1.00 16.21     0.186 C 
-ATOM   4135  C   ASP C   5      61.253  68.397  15.307  1.00 15.64     0.241 C 
-ATOM   4136  O   ASP C   5      60.987  69.580  15.681  1.00 15.60    -0.271 OA
-ATOM   4137  CB  ASP C   5      59.526  66.747  14.671  1.00 16.94     0.147 C 
-ATOM   4138  CG  ASP C   5      58.634  66.158  13.599  1.00 20.57     0.175 C 
-ATOM   4139  OD1 ASP C   5      58.331  66.861  12.608  1.00 23.59    -0.648 OA
-ATOM   4140  OD2 ASP C   5      58.194  64.975  13.686  1.00 25.27    -0.648 OA
-ATOM   4141  N   ILE C   6      62.153  67.633  15.930  1.00 14.80    -0.346 N 
-ATOM   4142  HN  ILE C   6      62.267  66.659  15.649  1.00  0.00     0.163 HD
-ATOM   4143  CA  ILE C   6      62.978  68.173  17.009  1.00 14.19     0.180 C 
-ATOM   4144  C   ILE C   6      63.668  69.486  16.598  1.00 14.12     0.241 C 
-ATOM   4145  O   ILE C   6      63.531  70.487  17.285  1.00 13.28    -0.271 OA
-ATOM   4146  CB  ILE C   6      64.000  67.144  17.505  1.00 14.37     0.013 C 
-ATOM   4147  CG1 ILE C   6      63.303  65.916  18.085  1.00 13.38     0.002 C 
-ATOM   4148  CG2 ILE C   6      64.924  67.754  18.613  1.00 13.41     0.012 C 
-ATOM   4149  CD1 ILE C   6      64.237  64.724  18.224  1.00 12.72     0.005 C 
-ATOM   4150  N   LEU C   7      64.378  69.469  15.471  1.00 14.42    -0.346 N 
-ATOM   4151  HN  LEU C   7      64.432  68.603  14.934  1.00  0.00     0.163 HD
-ATOM   4152  CA  LEU C   7      65.078  70.646  14.982  1.00 15.22     0.177 C 
-ATOM   4153  C   LEU C   7      64.161  71.804  14.556  1.00 15.18     0.241 C 
-ATOM   4154  O   LEU C   7      64.465  72.982  14.801  1.00 14.50    -0.271 OA
-ATOM   4155  CB  LEU C   7      66.079  70.280  13.864  1.00 15.89     0.038 C 
-ATOM   4156  CG  LEU C   7      67.259  69.453  14.413  1.00 17.28    -0.020 C 
-ATOM   4157  CD1 LEU C   7      67.836  68.535  13.364  1.00 18.61     0.009 C 
-ATOM   4158  CD2 LEU C   7      68.278  70.440  14.954  1.00 18.60     0.009 C 
-ATOM   4159  N   TYR C   8      63.031  71.480  13.955  1.00 15.36    -0.346 N 
-ATOM   4160  HN  TYR C   8      62.851  70.506  13.711  1.00  0.00     0.163 HD
-ATOM   4161  CA  TYR C   8      62.036  72.501  13.635  1.00 16.47     0.180 C 
-ATOM   4162  C   TYR C   8      61.548  73.178  14.922  1.00 16.25     0.241 C 
-ATOM   4163  O   TYR C   8      61.543  74.432  15.043  1.00 15.48    -0.271 OA
-ATOM   4164  CB  TYR C   8      60.863  71.872  12.898  1.00 17.23     0.073 C 
-ATOM   4165  CG  TYR C   8      59.712  72.818  12.578  1.00 20.97    -0.056 A 
-ATOM   4166  CD1 TYR C   8      59.836  73.803  11.576  1.00 24.41     0.010 A 
-ATOM   4167  CD2 TYR C   8      58.512  72.730  13.263  1.00 23.03     0.010 A 
-ATOM   4168  CE1 TYR C   8      58.790  74.653  11.263  1.00 26.17     0.037 A 
-ATOM   4169  CE2 TYR C   8      57.445  73.579  12.959  1.00 25.64     0.037 A 
-ATOM   4170  CZ  TYR C   8      57.586  74.538  11.963  1.00 27.08     0.065 A 
-ATOM   4171  OH  TYR C   8      56.518  75.371  11.682  1.00 28.62    -0.361 OA
-ATOM   4172  HH  TYR C   8      56.614  76.027  11.001  1.00  0.00     0.217 HD
-ATOM   4173  N   ASN C   9      61.127  72.349  15.879  1.00 15.79    -0.346 N 
-ATOM   4174  HN  ASN C   9      61.129  71.341  15.723  1.00  0.00     0.163 HD
-ATOM   4175  CA  ASN C   9      60.666  72.892  17.145  1.00 16.32     0.185 C 
-ATOM   4176  C   ASN C   9      61.712  73.746  17.851  1.00 15.81     0.241 C 
-ATOM   4177  O   ASN C   9      61.374  74.776  18.382  1.00 15.63    -0.271 OA
-ATOM   4178  CB  ASN C   9      60.085  71.830  18.079  1.00 16.04     0.137 C 
-ATOM   4179  CG  ASN C   9      58.821  71.204  17.517  1.00 18.06     0.217 C 
-ATOM   4180  ND2 ASN C   9      58.420  70.055  18.067  1.00 17.71    -0.370 N 
-ATOM   4181 1HD2 ASN C   9      58.918  69.616  18.842  1.00  0.00     0.159 HD
-ATOM   4182 2HD2 ASN C   9      57.571  69.634  17.689  1.00  0.00     0.159 HD
-ATOM   4183  OD1 ASN C   9      58.222  71.732  16.584  1.00 19.10    -0.274 OA
-ATOM   4184  N   ILE C  10      62.961  73.311  17.851  1.00 15.85    -0.346 N 
-ATOM   4185  HN  ILE C  10      63.184  72.403  17.444  1.00  0.00     0.163 HD
-ATOM   4186  CA  ILE C  10      64.024  74.132  18.435  1.00 16.26     0.180 C 
-ATOM   4187  C   ILE C  10      64.169  75.443  17.658  1.00 16.81     0.241 C 
-ATOM   4188  O   ILE C  10      64.263  76.505  18.272  1.00 16.35    -0.271 OA
-ATOM   4189  CB  ILE C  10      65.387  73.368  18.508  1.00 16.27     0.013 C 
-ATOM   4190  CG1 ILE C  10      65.349  72.375  19.673  1.00 15.10     0.002 C 
-ATOM   4191  CG2 ILE C  10      66.568  74.344  18.716  1.00 15.01     0.012 C 
-ATOM   4192  CD1 ILE C  10      66.391  71.241  19.599  1.00 13.26     0.005 C 
-ATOM   4193  N   ARG C  11      64.211  75.362  16.330  1.00 16.79    -0.346 N 
-ATOM   4194  HN  ARG C  11      64.125  74.451  15.880  1.00  0.00     0.163 HD
-ATOM   4195  CA  ARG C  11      64.379  76.564  15.502  1.00 20.26     0.176 C 
-ATOM   4196  C   ARG C  11      63.217  77.577  15.678  1.00 19.95     0.241 C 
-ATOM   4197  O   ARG C  11      63.441  78.798  15.678  1.00 20.28    -0.271 OA
-ATOM   4198  CB  ARG C  11      64.539  76.210  14.023  1.00 21.43     0.036 C 
-ATOM   4199  CG  ARG C  11      64.848  77.397  13.020  1.00 27.63     0.023 C 
-ATOM   4200  CD  ARG C  11      65.707  76.906  11.802  1.00 38.97     0.138 C 
-ATOM   4201  NE  ARG C  11      65.939  77.869  10.714  1.00 45.88    -0.227 N 
-ATOM   4202  HE  ARG C  11      65.721  78.849  10.897  1.00  0.00     0.177 HD
-ATOM   4203  CZ  ARG C  11      66.420  77.553   9.489  1.00 48.99     0.665 C 
-ATOM   4204  NH1 ARG C  11      66.747  76.289   9.165  1.00 49.25    -0.235 N 
-ATOM   4205 1HH1 ARG C  11      66.628  75.552   9.860  1.00  0.00     0.174 HD
-ATOM   4206 2HH1 ARG C  11      67.109  76.051   8.242  1.00  0.00     0.174 HD
-ATOM   4207  NH2 ARG C  11      66.576  78.519   8.579  1.00 49.06    -0.235 N 
-ATOM   4208 1HH2 ARG C  11      66.328  79.477   8.825  1.00  0.00     0.174 HD
-ATOM   4209 2HH2 ARG C  11      66.938  78.281   7.656  1.00  0.00     0.174 HD
-ATOM   4210  N   GLN C  12      61.999  77.069  15.841  1.00 19.61    -0.346 N 
-ATOM   4211  HN  GLN C  12      61.886  76.062  15.957  1.00  0.00     0.163 HD
-ATOM   4212  CA  GLN C  12      60.822  77.929  15.857  1.00 19.92     0.177 C 
-ATOM   4213  C   GLN C  12      60.658  78.638  17.178  1.00 19.82     0.241 C 
-ATOM   4214  O   GLN C  12      60.141  79.728  17.217  1.00 18.40    -0.271 OA
-ATOM   4215  CB  GLN C  12      59.547  77.168  15.534  1.00 19.47     0.044 C 
-ATOM   4216  CG  GLN C  12      59.415  76.808  14.083  1.00 22.92     0.105 C 
-ATOM   4217  CD  GLN C  12      59.529  78.034  13.170  1.00 24.90     0.215 C 
-ATOM   4218  NE2 GLN C  12      60.481  78.008  12.254  1.00 25.05    -0.370 N 
-ATOM   4219 1HE2 GLN C  12      61.130  77.228  12.153  1.00  0.00     0.159 HD
-ATOM   4220 2HE2 GLN C  12      60.557  78.824  11.646  1.00  0.00     0.159 HD
-ATOM   4221  OE1 GLN C  12      58.750  78.970  13.291  1.00 26.57    -0.274 OA
-ATOM   4222  N   THR C  13      61.060  77.994  18.261  1.00 20.97    -0.344 N 
-ATOM   4223  HN  THR C  13      61.529  77.094  18.165  1.00  0.00     0.163 HD
-ATOM   4224  CA  THR C  13      60.842  78.552  19.588  1.00 21.01     0.205 C 
-ATOM   4225  C   THR C  13      62.185  78.950  20.178  1.00 23.00     0.243 C 
-ATOM   4226  O   THR C  13      62.276  79.233  21.411  1.00 22.71    -0.271 OA
-ATOM   4227  CB  THR C  13      60.168  77.519  20.506  1.00 21.25     0.146 C 
-ATOM   4228  CG2 THR C  13      58.769  77.145  19.992  1.00 19.13     0.042 C 
-ATOM   4229  OG1 THR C  13      60.926  76.295  20.486  1.00 17.71    -0.393 OA
-ATOM   4230  HG1 THR C  13      61.791  76.526  20.804  1.00  0.00     0.210 HD
-ATOM   4231  N   SER C  14      63.227  78.938  19.318  1.00 23.93    -0.344 N 
-ATOM   4232  HN  SER C  14      63.090  78.597  18.366  1.00  0.00     0.163 HD
-ATOM   4233  CA  SER C  14      64.565  79.412  19.737  1.00 25.37     0.200 C 
-ATOM   4234  C   SER C  14      64.468  80.813  20.265  1.00 25.45     0.243 C 
-ATOM   4235  O   SER C  14      63.776  81.674  19.663  1.00 26.57    -0.271 OA
-ATOM   4236  CB  SER C  14      65.671  79.338  18.644  1.00 25.81     0.199 C 
-ATOM   4237  OG  SER C  14      65.463  80.174  17.513  1.00 25.25    -0.398 OA
-ATOM   4238  HG  SER C  14      66.138  80.129  16.846  1.00  0.00     0.209 HD
-ATOM   4239  N   ARG C  15      65.109  81.018  21.417  1.00 24.09    -0.346 N 
-ATOM   4240  HN  ARG C  15      65.472  80.216  21.933  1.00  0.00     0.163 HD
-ATOM   4241  CA  ARG C  15      65.304  82.360  21.959  1.00 23.14     0.176 C 
-ATOM   4242  C   ARG C  15      66.815  82.507  22.229  1.00 22.18     0.243 C 
-ATOM   4243  O   ARG C  15      67.230  82.484  23.384  1.00 20.93    -0.271 OA
-ATOM   4244  CB  ARG C  15      64.478  82.541  23.243  1.00 23.14     0.036 C 
-ATOM   4245  CG  ARG C  15      62.945  82.596  23.038  1.00 23.64     0.023 C 
-ATOM   4246  CD  ARG C  15      62.429  83.716  22.091  1.00 24.96     0.138 C 
-ATOM   4247  NE  ARG C  15      62.871  85.037  22.523  1.00 29.21    -0.227 N 
-ATOM   4248  HE  ARG C  15      63.753  85.380  22.142  1.00  0.00     0.177 HD
-ATOM   4249  CZ  ARG C  15      62.216  85.845  23.383  1.00 25.55     0.665 C 
-ATOM   4250  NH1 ARG C  15      61.046  85.488  23.907  1.00 23.33    -0.235 N 
-ATOM   4251 1HH1 ARG C  15      60.551  86.099  24.557  1.00  0.00     0.174 HD
-ATOM   4252 2HH1 ARG C  15      60.634  84.588  23.661  1.00  0.00     0.174 HD
-ATOM   4253  NH2 ARG C  15      62.750  87.010  23.702  1.00 21.56    -0.235 N 
-ATOM   4254 1HH2 ARG C  15      62.255  87.621  24.352  1.00  0.00     0.174 HD
-ATOM   4255 2HH2 ARG C  15      63.647  87.284  23.300  1.00  0.00     0.174 HD
-ATOM   4256  N   PRO C  16      67.632  82.620  21.168  1.00 21.89    -0.337 N 
-ATOM   4257  CA  PRO C  16      69.106  82.606  21.318  1.00 21.11     0.179 C 
-ATOM   4258  C   PRO C  16      69.673  83.752  22.189  1.00 20.99     0.241 C 
-ATOM   4259  O   PRO C  16      70.747  83.604  22.796  1.00 21.31    -0.271 OA
-ATOM   4260  CB  PRO C  16      69.630  82.698  19.881  1.00 21.02     0.037 C 
-ATOM   4261  CG  PRO C  16      68.485  82.987  18.998  1.00 20.30     0.022 C 
-ATOM   4262  CD  PRO C  16      67.214  82.778  19.760  1.00 21.40     0.127 C 
-ATOM   4263  N   ASP C  17      68.972  84.877  22.212  1.00 19.59    -0.346 N 
-ATOM   4264  HN  ASP C  17      68.133  84.938  21.635  1.00  0.00     0.163 HD
-ATOM   4265  CA  ASP C  17      69.346  86.044  23.032  1.00 19.54     0.186 C 
-ATOM   4266  C   ASP C  17      68.949  85.928  24.507  1.00 18.46     0.241 C 
-ATOM   4267  O   ASP C  17      69.339  86.758  25.279  1.00 18.82    -0.271 OA
-ATOM   4268  CB  ASP C  17      68.741  87.329  22.442  1.00 19.45     0.147 C 
-ATOM   4269  CG  ASP C  17      69.173  87.579  20.983  1.00 20.97     0.175 C 
-ATOM   4270  OD1 ASP C  17      70.350  87.342  20.620  1.00 25.43    -0.648 OA
-ATOM   4271  OD2 ASP C  17      68.387  88.018  20.107  1.00 27.16    -0.648 OA
-ATOM   4272  N   VAL C  18      68.235  84.864  24.912  1.00 17.51    -0.346 N 
-ATOM   4273  HN  VAL C  18      68.048  84.112  24.248  1.00  0.00     0.163 HD
-ATOM   4274  CA  VAL C  18      67.717  84.751  26.280  1.00 17.13     0.180 C 
-ATOM   4275  C   VAL C  18      68.471  83.706  27.119  1.00 17.29     0.241 C 
-ATOM   4276  O   VAL C  18      68.467  82.493  26.793  1.00 16.32    -0.271 OA
-ATOM   4277  CB  VAL C  18      66.184  84.429  26.298  1.00 17.36     0.009 C 
-ATOM   4278  CG1 VAL C  18      65.678  84.406  27.738  1.00 16.86     0.012 C 
-ATOM   4279  CG2 VAL C  18      65.405  85.494  25.491  1.00 15.70     0.012 C 
-ATOM   4280  N   ILE C  19      69.137  84.180  28.169  1.00 16.88    -0.346 N 
-ATOM   4281  HN  ILE C  19      69.134  85.184  28.351  1.00  0.00     0.163 HD
-ATOM   4282  CA  ILE C  19      69.865  83.301  29.057  1.00 17.84     0.180 C 
-ATOM   4283  C   ILE C  19      68.891  82.351  29.757  1.00 18.75     0.243 C 
-ATOM   4284  O   ILE C  19      67.906  82.796  30.326  1.00 18.80    -0.271 OA
-ATOM   4285  CB  ILE C  19      70.760  84.096  30.043  1.00 17.66     0.013 C 
-ATOM   4286  CG1 ILE C  19      71.577  83.145  30.931  1.00 17.19     0.002 C 
-ATOM   4287  CG2 ILE C  19      69.954  85.124  30.842  1.00 16.80     0.012 C 
-ATOM   4288  CD1 ILE C  19      72.659  83.847  31.814  1.00 15.90     0.005 C 
-ATOM   4289  N   PRO C  20      69.127  81.044  29.678  1.00 19.74    -0.337 N 
-ATOM   4290  CA  PRO C  20      68.153  80.057  30.173  1.00 21.20     0.179 C 
-ATOM   4291  C   PRO C  20      68.185  79.895  31.695  1.00 22.73     0.241 C 
-ATOM   4292  O   PRO C  20      68.367  78.799  32.217  1.00 22.81    -0.271 OA
-ATOM   4293  CB  PRO C  20      68.605  78.771  29.474  1.00 20.96     0.037 C 
-ATOM   4294  CG  PRO C  20      70.083  78.913  29.352  1.00 20.36     0.022 C 
-ATOM   4295  CD  PRO C  20      70.310  80.385  29.089  1.00 20.30     0.127 C 
-ATOM   4296  N   THR C  21      68.038  81.015  32.382  1.00 24.69    -0.344 N 
-ATOM   4297  HN  THR C  21      67.963  81.885  31.855  1.00  0.00     0.163 HD
-ATOM   4298  CA  THR C  21      67.975  81.101  33.825  1.00 27.29     0.205 C 
-ATOM   4299  C   THR C  21      66.708  80.351  34.328  1.00 28.60     0.243 C 
-ATOM   4300  O   THR C  21      65.625  80.505  33.757  1.00 28.94    -0.271 OA
-ATOM   4301  CB  THR C  21      68.007  82.618  34.183  1.00 27.01     0.146 C 
-ATOM   4302  CG2 THR C  21      67.092  82.951  35.304  1.00 28.82     0.042 C 
-ATOM   4303  OG1 THR C  21      69.310  82.947  34.691  1.00 28.67    -0.393 OA
-ATOM   4304  HG1 THR C  21      69.329  83.871  34.909  1.00  0.00     0.210 HD
-ATOM   4305  N   GLN C  22      66.861  79.501  35.348  1.00 29.56    -0.346 N 
-ATOM   4306  HN  GLN C  22      67.789  79.388  35.757  1.00  0.00     0.163 HD
-ATOM   4307  CA  GLN C  22      65.745  78.723  35.903  1.00 31.60     0.177 C 
-ATOM   4308  C   GLN C  22      65.764  78.780  37.444  1.00 32.58     0.241 C 
-ATOM   4309  O   GLN C  22      66.783  78.484  38.075  1.00 32.38    -0.271 OA
-ATOM   4310  CB  GLN C  22      65.759  77.272  35.370  1.00 31.84     0.044 C 
-ATOM   4311  CG  GLN C  22      64.702  76.328  35.991  1.00 33.44     0.105 C 
-ATOM   4312  CD  GLN C  22      63.998  75.383  34.983  1.00 34.21     0.215 C 
-ATOM   4313  NE2 GLN C  22      63.176  74.438  35.490  1.00 34.73    -0.370 N 
-ATOM   4314 1HE2 GLN C  22      63.012  74.333  36.491  1.00  0.00     0.159 HD
-ATOM   4315 2HE2 GLN C  22      62.713  73.816  34.827  1.00  0.00     0.159 HD
-ATOM   4316  OE1 GLN C  22      64.195  75.509  33.784  1.00 34.44    -0.274 OA
-ATOM   4317  N   ARG C  23      64.623  79.183  38.015  1.00 33.99    -0.346 N 
-ATOM   4318  HN  ARG C  23      63.833  79.358  37.394  1.00  0.00     0.163 HD
-ATOM   4319  CA  ARG C  23      64.398  79.399  39.465  1.00 35.08     0.176 C 
-ATOM   4320  C   ARG C  23      65.350  80.426  40.091  1.00 34.97     0.241 C 
-ATOM   4321  O   ARG C  23      65.755  80.274  41.254  1.00 35.12    -0.271 OA
-ATOM   4322  CB  ARG C  23      64.390  78.089  40.315  1.00 36.00     0.036 C 
-ATOM   4323  CG  ARG C  23      64.000  76.784  39.617  1.00 37.70     0.023 C 
-ATOM   4324  CD  ARG C  23      63.085  75.859  40.469  1.00 42.46     0.138 C 
-ATOM   4325  NE  ARG C  23      61.653  76.186  40.356  1.00 44.02    -0.227 N 
-ATOM   4326  HE  ARG C  23      61.168  76.455  41.212  1.00  0.00     0.177 HD
-ATOM   4327  CZ  ARG C  23      60.932  76.161  39.226  1.00 43.51     0.665 C 
-ATOM   4328  NH1 ARG C  23      61.479  75.810  38.052  1.00 42.54    -0.235 N 
-ATOM   4329 1HH1 ARG C  23      62.464  75.548  38.010  1.00  0.00     0.174 HD
-ATOM   4330 2HH1 ARG C  23      60.930  75.791  37.192  1.00  0.00     0.174 HD
-ATOM   4331  NH2 ARG C  23      59.652  76.502  39.280  1.00 42.97    -0.235 N 
-ATOM   4332 1HH2 ARG C  23      59.236  76.769  40.172  1.00  0.00     0.174 HD
-ATOM   4333 2HH2 ARG C  23      59.103  76.483  38.420  1.00  0.00     0.174 HD
-ATOM   4334  N   ASP C  24      65.675  81.468  39.317  1.00 34.33    -0.346 N 
-ATOM   4335  HN  ASP C  24      65.308  81.488  38.366  1.00  0.00     0.163 HD
-ATOM   4336  CA  ASP C  24      66.525  82.583  39.748  1.00 33.49     0.186 C 
-ATOM   4337  C   ASP C  24      67.948  82.137  40.147  1.00 32.24     0.241 C 
-ATOM   4338  O   ASP C  24      68.665  82.865  40.832  1.00 32.33    -0.271 OA
-ATOM   4339  CB  ASP C  24      65.833  83.446  40.844  1.00 33.92     0.147 C 
-ATOM   4340  CG  ASP C  24      66.261  84.941  40.801  1.00 35.73     0.175 C 
-ATOM   4341  OD1 ASP C  24      66.628  85.431  39.695  1.00 36.34    -0.648 OA
-ATOM   4342  OD2 ASP C  24      66.275  85.700  41.823  1.00 36.01    -0.648 OA
-ATOM   4343  N   ARG C  25      68.339  80.944  39.699  1.00 30.21    -0.346 N 
-ATOM   4344  HN  ARG C  25      67.668  80.379  39.178  1.00  0.00     0.163 HD
-ATOM   4345  CA  ARG C  25      69.677  80.405  39.916  1.00 28.21     0.176 C 
-ATOM   4346  C   ARG C  25      70.517  80.702  38.680  1.00 25.72     0.243 C 
-ATOM   4347  O   ARG C  25      69.982  80.711  37.573  1.00 25.98    -0.271 OA
-ATOM   4348  CB  ARG C  25      69.626  78.890  40.154  1.00 28.59     0.036 C 
-ATOM   4349  CG  ARG C  25      68.900  78.453  41.453  1.00 31.89     0.023 C 
-ATOM   4350  CD  ARG C  25      67.749  77.442  41.207  1.00 37.00     0.138 C 
-ATOM   4351  NE  ARG C  25      67.519  76.452  42.281  1.00 40.72    -0.227 N 
-ATOM   4352  HE  ARG C  25      67.006  76.760  43.107  1.00  0.00     0.177 HD
-ATOM   4353  CZ  ARG C  25      67.937  75.176  42.248  1.00 41.03     0.665 C 
-ATOM   4354  NH1 ARG C  25      68.636  74.719  41.208  1.00 41.38    -0.235 N 
-ATOM   4355 1HH1 ARG C  25      68.845  75.346  40.431  1.00  0.00     0.174 HD
-ATOM   4356 2HH1 ARG C  25      68.953  73.750  41.183  1.00  0.00     0.174 HD
-ATOM   4357  NH2 ARG C  25      67.665  74.358  43.261  1.00 40.68    -0.235 N 
-ATOM   4358 1HH2 ARG C  25      67.130  74.707  44.056  1.00  0.00     0.174 HD
-ATOM   4359 2HH2 ARG C  25      67.982  73.389  43.236  1.00  0.00     0.174 HD
-ATOM   4360  N   PRO C  26      71.816  80.959  38.862  1.00 22.69    -0.337 N 
-ATOM   4361  CA  PRO C  26      72.716  81.197  37.737  1.00 21.02     0.179 C 
-ATOM   4362  C   PRO C  26      72.740  79.975  36.797  1.00 19.85     0.241 C 
-ATOM   4363  O   PRO C  26      72.525  78.858  37.260  1.00 18.97    -0.271 OA
-ATOM   4364  CB  PRO C  26      74.082  81.405  38.411  1.00 20.96     0.037 C 
-ATOM   4365  CG  PRO C  26      73.937  80.873  39.788  1.00 21.32     0.022 C 
-ATOM   4366  CD  PRO C  26      72.512  81.030  40.163  1.00 22.21     0.127 C 
-ATOM   4367  N   VAL C  27      72.955  80.200  35.496  1.00 18.24    -0.346 N 
-ATOM   4368  HN  VAL C  27      72.915  81.155  35.139  1.00  0.00     0.163 HD
-ATOM   4369  CA  VAL C  27      73.248  79.097  34.573  1.00 17.43     0.180 C 
-ATOM   4370  C   VAL C  27      74.648  78.583  34.880  1.00 16.98     0.241 C 
-ATOM   4371  O   VAL C  27      75.631  79.340  34.827  1.00 16.28    -0.271 OA
-ATOM   4372  CB  VAL C  27      73.135  79.524  33.084  1.00 17.44     0.009 C 
-ATOM   4373  CG1 VAL C  27      73.548  78.390  32.142  1.00 17.32     0.012 C 
-ATOM   4374  CG2 VAL C  27      71.726  79.940  32.774  1.00 17.27     0.012 C 
-ATOM   4375  N   ALA C  28      74.720  77.300  35.240  1.00 16.42    -0.346 N 
-ATOM   4376  HN  ALA C  28      73.860  76.755  35.301  1.00  0.00     0.163 HD
-ATOM   4377  CA  ALA C  28      75.985  76.655  35.548  1.00 15.83     0.172 C 
-ATOM   4378  C   ALA C  28      76.683  76.228  34.250  1.00 15.60     0.240 C 
-ATOM   4379  O   ALA C  28      76.248  75.318  33.569  1.00 15.22    -0.271 OA
-ATOM   4380  CB  ALA C  28      75.772  75.461  36.502  1.00 15.13     0.042 C 
-ATOM   4381  N   VAL C  29      77.776  76.900  33.920  1.00 15.48    -0.346 N 
-ATOM   4382  HN  VAL C  29      78.098  77.652  34.530  1.00  0.00     0.163 HD
-ATOM   4383  CA  VAL C  29      78.523  76.601  32.727  1.00 15.92     0.180 C 
-ATOM   4384  C   VAL C  29      79.843  75.902  33.105  1.00 16.82     0.241 C 
-ATOM   4385  O   VAL C  29      80.561  76.350  33.972  1.00 17.09    -0.271 OA
-ATOM   4386  CB  VAL C  29      78.805  77.903  31.903  1.00 15.74     0.009 C 
-ATOM   4387  CG1 VAL C  29      79.603  77.599  30.665  1.00 14.66     0.012 C 
-ATOM   4388  CG2 VAL C  29      77.500  78.610  31.535  1.00 14.90     0.012 C 
-ATOM   4389  N   SER C  30      80.135  74.773  32.469  1.00 18.00    -0.344 N 
-ATOM   4390  HN  SER C  30      79.440  74.371  31.839  1.00  0.00     0.163 HD
-ATOM   4391  CA  SER C  30      81.409  74.087  32.636  1.00 18.71     0.200 C 
-ATOM   4392  C   SER C  30      82.240  74.377  31.430  1.00 19.14     0.243 C 
-ATOM   4393  O   SER C  30      81.745  74.304  30.304  1.00 18.93    -0.271 OA
-ATOM   4394  CB  SER C  30      81.218  72.589  32.722  1.00 18.30     0.199 C 
-ATOM   4395  OG  SER C  30      80.501  72.256  33.888  1.00 21.64    -0.398 OA
-ATOM   4396  HG  SER C  30      80.381  71.315  33.942  1.00  0.00     0.209 HD
-ATOM   4397  N   VAL C  31      83.505  74.703  31.666  1.00 19.84    -0.346 N 
-ATOM   4398  HN  VAL C  31      83.821  74.794  32.632  1.00  0.00     0.163 HD
-ATOM   4399  CA  VAL C  31      84.455  74.934  30.586  1.00 20.79     0.180 C 
-ATOM   4400  C   VAL C  31      85.712  74.143  30.892  1.00 21.19     0.241 C 
-ATOM   4401  O   VAL C  31      86.110  73.985  32.041  1.00 21.22    -0.271 OA
-ATOM   4402  CB  VAL C  31      84.914  76.399  30.471  1.00 21.23     0.009 C 
-ATOM   4403  CG1 VAL C  31      85.418  76.689  29.041  1.00 21.03     0.012 C 
-ATOM   4404  CG2 VAL C  31      83.821  77.352  30.856  1.00 22.20     0.012 C 
-ATOM   4405  N   SER C  32      86.384  73.742  29.833  1.00 21.52    -0.344 N 
-ATOM   4406  HN  SER C  32      86.038  73.990  28.906  1.00  0.00     0.163 HD
-ATOM   4407  CA  SER C  32      87.594  72.964  29.941  1.00 22.68     0.200 C 
-ATOM   4408  C   SER C  32      88.256  73.127  28.591  1.00 22.41     0.243 C 
-ATOM   4409  O   SER C  32      87.573  73.032  27.563  1.00 22.19    -0.271 OA
-ATOM   4410  CB  SER C  32      87.209  71.514  30.200  1.00 22.38     0.199 C 
-ATOM   4411  OG  SER C  32      88.313  70.668  30.029  1.00 27.48    -0.398 OA
-ATOM   4412  HG  SER C  32      88.073  69.763  30.191  1.00  0.00     0.209 HD
-ATOM   4413  N   LEU C  33      89.555  73.422  28.592  1.00 21.95    -0.346 N 
-ATOM   4414  HN  LEU C  33      90.040  73.541  29.481  1.00  0.00     0.163 HD
-ATOM   4415  CA  LEU C  33      90.304  73.579  27.334  1.00 21.41     0.177 C 
-ATOM   4416  C   LEU C  33      91.122  72.336  27.081  1.00 21.35     0.241 C 
-ATOM   4417  O   LEU C  33      91.828  71.872  27.970  1.00 21.28    -0.271 OA
-ATOM   4418  CB  LEU C  33      91.225  74.808  27.394  1.00 21.02     0.038 C 
-ATOM   4419  CG  LEU C  33      90.627  76.171  27.751  1.00 21.26    -0.020 C 
-ATOM   4420  CD1 LEU C  33      91.613  77.329  27.491  1.00 19.13     0.009 C 
-ATOM   4421  CD2 LEU C  33      89.298  76.463  27.122  1.00 20.13     0.009 C 
-ATOM   4422  N   LYS C  34      90.990  71.759  25.891  1.00 20.78    -0.346 N 
-ATOM   4423  HN  LYS C  34      90.320  72.132  25.219  1.00  0.00     0.163 HD
-ATOM   4424  CA  LYS C  34      91.799  70.593  25.538  1.00 20.19     0.176 C 
-ATOM   4425  C   LYS C  34      92.820  71.084  24.529  1.00 19.28     0.241 C 
-ATOM   4426  O   LYS C  34      92.488  71.389  23.390  1.00 19.04    -0.271 OA
-ATOM   4427  CB  LYS C  34      90.959  69.459  24.933  1.00 21.07     0.035 C 
-ATOM   4428  CG  LYS C  34      89.655  69.154  25.672  1.00 23.48     0.004 C 
-ATOM   4429  CD  LYS C  34      89.890  68.261  26.878  1.00 27.32     0.027 C 
-ATOM   4430  CE  LYS C  34      88.655  68.262  27.772  1.00 30.66     0.229 C 
-ATOM   4431  NZ  LYS C  34      88.889  67.569  29.110  1.00 33.78    -0.079 N 
-ATOM   4432  HZ1 LYS C  34      88.063  67.570  29.708  1.00  0.00     0.274 HD
-ATOM   4433  HZ2 LYS C  34      89.690  67.974  29.595  1.00  0.00     0.274 HD
-ATOM   4434  HZ3 LYS C  34      89.239  66.621  28.973  1.00  0.00     0.274 HD
-ATOM   4435  N   PHE C  35      94.066  71.179  24.959  1.00 18.01    -0.346 N 
-ATOM   4436  HN  PHE C  35      94.287  70.876  25.908  1.00  0.00     0.163 HD
-ATOM   4437  CA  PHE C  35      95.125  71.700  24.124  1.00 17.17     0.180 C 
-ATOM   4438  C   PHE C  35      95.515  70.720  23.040  1.00 16.65     0.241 C 
-ATOM   4439  O   PHE C  35      95.669  69.536  23.315  1.00 15.88    -0.271 OA
-ATOM   4440  CB  PHE C  35      96.290  72.128  24.996  1.00 17.12     0.073 C 
-ATOM   4441  CG  PHE C  35      95.943  73.297  25.865  1.00 17.37    -0.056 A 
-ATOM   4442  CD1 PHE C  35      95.919  74.571  25.333  1.00 17.60     0.007 A 
-ATOM   4443  CD2 PHE C  35      95.572  73.106  27.199  1.00 18.16     0.007 A 
-ATOM   4444  CE1 PHE C  35      95.572  75.678  26.118  1.00 18.96     0.001 A 
-ATOM   4445  CE2 PHE C  35      95.209  74.209  28.002  1.00 17.99     0.001 A 
-ATOM   4446  CZ  PHE C  35      95.213  75.499  27.456  1.00 18.03     0.000 A 
-ATOM   4447  N   ILE C  36      95.559  71.224  21.796  1.00 15.88    -0.346 N 
-ATOM   4448  HN  ILE C  36      95.381  72.220  21.668  1.00  0.00     0.163 HD
-ATOM   4449  CA  ILE C  36      95.849  70.412  20.621  1.00 15.76     0.180 C 
-ATOM   4450  C   ILE C  36      97.220  70.779  20.076  1.00 16.20     0.241 C 
-ATOM   4451  O   ILE C  36      97.993  69.914  19.622  1.00 15.56    -0.271 OA
-ATOM   4452  CB  ILE C  36      94.763  70.560  19.550  1.00 15.67     0.013 C 
-ATOM   4453  CG1 ILE C  36      93.349  70.424  20.134  1.00 15.26     0.002 C 
-ATOM   4454  CG2 ILE C  36      94.982  69.626  18.376  1.00 14.77     0.012 C 
-ATOM   4455  CD1 ILE C  36      93.035  69.164  20.871  1.00 13.19     0.005 C 
-ATOM   4456  N   ASN C  37      97.543  72.061  20.147  1.00 16.73    -0.346 N 
-ATOM   4457  HN  ASN C  37      96.911  72.719  20.604  1.00  0.00     0.163 HD
-ATOM   4458  CA  ASN C  37      98.788  72.534  19.580  1.00 18.05     0.185 C 
-ATOM   4459  C   ASN C  37      99.195  73.872  20.110  1.00 18.53     0.241 C 
-ATOM   4460  O   ASN C  37      98.355  74.717  20.423  1.00 18.73    -0.271 OA
-ATOM   4461  CB  ASN C  37      98.734  72.581  18.050  1.00 17.37     0.137 C 
-ATOM   4462  CG  ASN C  37      99.953  71.933  17.411  1.00 19.58     0.217 C 
-ATOM   4463  ND2 ASN C  37      99.685  71.095  16.425  1.00 15.70    -0.370 N 
-ATOM   4464 1HD2 ASN C  37     100.502  70.661  15.997  1.00  0.00     0.159 HD
-ATOM   4465 2HD2 ASN C  37      98.738  70.895  16.104  1.00  0.00     0.159 HD
-ATOM   4466  OD1 ASN C  37     101.138  72.183  17.812  1.00 18.93    -0.274 OA
-ATOM   4467  N   ILE C  38     100.506  74.036  20.241  1.00 19.22    -0.346 N 
-ATOM   4468  HN  ILE C  38     101.114  73.222  20.147  1.00  0.00     0.163 HD
-ATOM   4469  CA  ILE C  38     101.108  75.327  20.513  1.00 19.41     0.180 C 
-ATOM   4470  C   ILE C  38     101.937  75.648  19.274  1.00 19.97     0.241 C 
-ATOM   4471  O   ILE C  38     102.914  74.974  18.984  1.00 20.05    -0.271 OA
-ATOM   4472  CB  ILE C  38     101.956  75.248  21.794  1.00 19.49     0.013 C 
-ATOM   4473  CG1 ILE C  38     101.069  74.915  22.987  1.00 19.31     0.002 C 
-ATOM   4474  CG2 ILE C  38     102.631  76.581  22.044  1.00 19.17     0.012 C 
-ATOM   4475  CD1 ILE C  38     101.741  74.156  24.086  1.00 19.48     0.005 C 
-ATOM   4476  N   LEU C  39     101.524  76.666  18.534  1.00 20.76    -0.346 N 
-ATOM   4477  HN  LEU C  39     100.797  77.284  18.893  1.00  0.00     0.163 HD
-ATOM   4478  CA  LEU C  39     102.091  76.917  17.217  1.00 21.68     0.177 C 
-ATOM   4479  C   LEU C  39     103.239  77.913  17.222  1.00 22.38     0.241 C 
-ATOM   4480  O   LEU C  39     104.119  77.858  16.365  1.00 23.11    -0.271 OA
-ATOM   4481  CB  LEU C  39     100.988  77.438  16.304  1.00 21.70     0.038 C 
-ATOM   4482  CG  LEU C  39      99.784  76.485  16.253  1.00 23.09    -0.020 C 
-ATOM   4483  CD1 LEU C  39      98.635  77.117  15.598  1.00 23.63     0.009 C 
-ATOM   4484  CD2 LEU C  39     100.185  75.168  15.549  1.00 23.14     0.009 C 
-ATOM   4485  N   GLU C  40     103.195  78.867  18.141  1.00 22.58    -0.346 N 
-ATOM   4486  HN  GLU C  40     102.435  78.878  18.822  1.00  0.00     0.163 HD
-ATOM   4487  CA  GLU C  40     104.221  79.901  18.189  1.00 23.06     0.177 C 
-ATOM   4488  C   GLU C  40     104.279  80.427  19.609  1.00 22.10     0.241 C 
-ATOM   4489  O   GLU C  40     103.253  80.554  20.271  1.00 22.16    -0.271 OA
-ATOM   4490  CB  GLU C  40     103.918  81.025  17.198  1.00 23.21     0.045 C 
-ATOM   4491  CG  GLU C  40     104.997  82.094  17.138  1.00 27.40     0.116 C 
-ATOM   4492  CD  GLU C  40     104.672  83.214  16.168  1.00 32.23     0.172 C 
-ATOM   4493  OE1 GLU C  40     103.487  83.628  16.074  1.00 33.43    -0.648 OA
-ATOM   4494  OE2 GLU C  40     105.612  83.669  15.494  1.00 33.91    -0.648 OA
-ATOM   4495  N   VAL C  41     105.492  80.734  20.043  1.00 21.15    -0.346 N 
-ATOM   4496  HN  VAL C  41     106.271  80.641  19.391  1.00  0.00     0.163 HD
-ATOM   4497  CA  VAL C  41     105.782  81.192  21.380  1.00 20.51     0.180 C 
-ATOM   4498  C   VAL C  41     106.852  82.265  21.222  1.00 20.35     0.241 C 
-ATOM   4499  O   VAL C  41     107.772  82.128  20.425  1.00 19.71    -0.271 OA
-ATOM   4500  CB  VAL C  41     106.246  79.983  22.259  1.00 20.95     0.009 C 
-ATOM   4501  CG1 VAL C  41     107.264  80.354  23.289  1.00 20.91     0.012 C 
-ATOM   4502  CG2 VAL C  41     105.047  79.275  22.914  1.00 20.27     0.012 C 
-ATOM   4503  N   ASN C  42     106.721  83.351  21.969  1.00 20.35    -0.346 N 
-ATOM   4504  HN  ASN C  42     105.924  83.429  22.601  1.00  0.00     0.163 HD
-ATOM   4505  CA  ASN C  42     107.690  84.437  21.908  1.00 20.43     0.185 C 
-ATOM   4506  C   ASN C  42     108.036  84.843  23.314  1.00 20.70     0.241 C 
-ATOM   4507  O   ASN C  42     107.218  85.420  24.029  1.00 20.58    -0.271 OA
-ATOM   4508  CB  ASN C  42     107.138  85.622  21.112  1.00 20.31     0.137 C 
-ATOM   4509  CG  ASN C  42     108.226  86.671  20.748  1.00 20.71     0.217 C 
-ATOM   4510  ND2 ASN C  42     108.142  87.182  19.527  1.00 19.28    -0.370 N 
-ATOM   4511 1HD2 ASN C  42     108.856  87.870  19.288  1.00  0.00     0.159 HD
-ATOM   4512 2HD2 ASN C  42     107.414  86.905  18.869  1.00  0.00     0.159 HD
-ATOM   4513  OD1 ASN C  42     109.114  87.009  21.550  1.00 20.92    -0.274 OA
-ATOM   4514  N   GLU C  43     109.253  84.520  23.727  1.00 21.34    -0.346 N 
-ATOM   4515  HN  GLU C  43     109.909  84.098  23.070  1.00  0.00     0.163 HD
-ATOM   4516  CA  GLU C  43     109.668  84.755  25.093  1.00 21.88     0.177 C 
-ATOM   4517  C   GLU C  43     109.985  86.239  25.334  1.00 21.94     0.241 C 
-ATOM   4518  O   GLU C  43     109.930  86.706  26.480  1.00 21.58    -0.271 OA
-ATOM   4519  CB  GLU C  43     110.851  83.851  25.463  1.00 22.36     0.045 C 
-ATOM   4520  CG  GLU C  43     110.865  83.422  26.930  1.00 24.34     0.116 C 
-ATOM   4521  CD  GLU C  43     112.077  82.584  27.323  1.00 27.45     0.172 C 
-ATOM   4522  OE1 GLU C  43     112.592  81.797  26.473  1.00 28.95    -0.648 OA
-ATOM   4523  OE2 GLU C  43     112.511  82.704  28.498  1.00 27.65    -0.648 OA
-ATOM   4524  N   ILE C  44     110.299  86.973  24.261  1.00 21.90    -0.346 N 
-ATOM   4525  HN  ILE C  44     110.378  86.518  23.351  1.00  0.00     0.163 HD
-ATOM   4526  CA  ILE C  44     110.532  88.414  24.363  1.00 21.88     0.180 C 
-ATOM   4527  C   ILE C  44     109.202  89.149  24.590  1.00 21.58     0.241 C 
-ATOM   4528  O   ILE C  44     109.095  89.953  25.517  1.00 21.51    -0.271 OA
-ATOM   4529  CB  ILE C  44     111.274  88.971  23.101  1.00 22.44     0.013 C 
-ATOM   4530  CG1 ILE C  44     112.572  88.189  22.804  1.00 22.82     0.002 C 
-ATOM   4531  CG2 ILE C  44     111.542  90.509  23.220  1.00 22.45     0.012 C 
-ATOM   4532  CD1 ILE C  44     113.577  88.173  23.932  1.00 24.15     0.005 C 
-ATOM   4533  N   THR C  45     108.189  88.843  23.772  1.00 20.88    -0.344 N 
-ATOM   4534  HN  THR C  45     108.299  88.093  23.090  1.00  0.00     0.163 HD
-ATOM   4535  CA  THR C  45     106.925  89.575  23.847  1.00 20.51     0.205 C 
-ATOM   4536  C   THR C  45     105.938  88.964  24.835  1.00 19.89     0.243 C 
-ATOM   4537  O   THR C  45     104.961  89.610  25.181  1.00 19.77    -0.271 OA
-ATOM   4538  CB  THR C  45     106.257  89.753  22.468  1.00 20.25     0.146 C 
-ATOM   4539  CG2 THR C  45     107.220  90.347  21.441  1.00 20.24     0.042 C 
-ATOM   4540  OG1 THR C  45     105.971  88.481  21.927  1.00 20.69    -0.393 OA
-ATOM   4541  HG1 THR C  45     105.372  88.112  22.565  1.00  0.00     0.210 HD
-ATOM   4542  N   ASN C  46     106.229  87.756  25.320  1.00 19.23    -0.345 N 
-ATOM   4543  HN  ASN C  46     107.117  87.322  25.067  1.00  0.00     0.163 HD
-ATOM   4544  CA  ASN C  46     105.313  87.035  26.203  1.00 18.57     0.185 C 
-ATOM   4545  C   ASN C  46     103.967  86.780  25.527  1.00 18.50     0.241 C 
-ATOM   4546  O   ASN C  46     102.920  87.092  26.065  1.00 18.13    -0.271 OA
-ATOM   4547  CB  ASN C  46     105.117  87.749  27.552  1.00 18.08     0.137 C 
-ATOM   4548  CG  ASN C  46     106.106  87.290  28.614  1.00 18.15     0.217 C 
-ATOM   4549  ND2 ASN C  46     106.475  88.216  29.492  1.00 15.24    -0.370 N 
-ATOM   4550 1HD2 ASN C  46     107.138  87.908  30.204  1.00  0.00     0.159 HD
-ATOM   4551 2HD2 ASN C  46     106.131  89.176  29.459  1.00  0.00     0.159 HD
-ATOM   4552  OD1 ASN C  46     106.529  86.111  28.654  1.00 17.13    -0.274 OA
-ATOM   4553  N   GLU C  47     104.024  86.218  24.327  1.00 18.89    -0.346 N 
-ATOM   4554  HN  GLU C  47     104.939  86.003  23.930  1.00  0.00     0.163 HD
-ATOM   4555  CA  GLU C  47     102.835  85.896  23.555  1.00 19.24     0.177 C 
-ATOM   4556  C   GLU C  47     102.913  84.444  23.108  1.00 19.22     0.241 C 
-ATOM   4557  O   GLU C  47     103.990  83.916  22.889  1.00 18.96    -0.271 OA
-ATOM   4558  CB  GLU C  47     102.715  86.840  22.358  1.00 19.32     0.045 C 
-ATOM   4559  CG  GLU C  47     102.437  88.303  22.765  1.00 21.61     0.116 C 
-ATOM   4560  CD  GLU C  47     102.518  89.294  21.610  1.00 25.84     0.172 C 
-ATOM   4561  OE1 GLU C  47     102.366  88.876  20.433  1.00 28.08    -0.648 OA
-ATOM   4562  OE2 GLU C  47     102.723  90.504  21.887  1.00 28.04    -0.648 OA
-ATOM   4563  N   VAL C  48     101.759  83.809  23.002  1.00 19.27    -0.346 N 
-ATOM   4564  HN  VAL C  48     100.904  84.302  23.259  1.00  0.00     0.163 HD
-ATOM   4565  CA  VAL C  48     101.658  82.434  22.534  1.00 19.86     0.180 C 
-ATOM   4566  C   VAL C  48     100.454  82.280  21.617  1.00 19.97     0.241 C 
-ATOM   4567  O   VAL C  48      99.402  82.871  21.832  1.00 19.72    -0.271 OA
-ATOM   4568  CB  VAL C  48     101.569  81.394  23.718  1.00 19.80     0.009 C 
-ATOM   4569  CG1 VAL C  48     102.743  81.486  24.633  1.00 20.39     0.012 C 
-ATOM   4570  CG2 VAL C  48     100.299  81.540  24.513  1.00 20.44     0.012 C 
-ATOM   4571  N   ASP C  49     100.619  81.455  20.596  1.00 20.50    -0.345 N 
-ATOM   4572  HN  ASP C  49     101.527  81.002  20.493  1.00  0.00     0.163 HD
-ATOM   4573  CA  ASP C  49      99.586  81.148  19.603  1.00 21.26     0.186 C 
-ATOM   4574  C   ASP C  49      99.209  79.659  19.829  1.00 20.71     0.241 C 
-ATOM   4575  O   ASP C  49     100.082  78.799  19.794  1.00 19.99    -0.271 OA
-ATOM   4576  CB  ASP C  49     100.203  81.346  18.208  1.00 22.06     0.147 C 
-ATOM   4577  CG  ASP C  49      99.170  81.440  17.097  1.00 24.91     0.175 C 
-ATOM   4578  OD1 ASP C  49      97.986  81.077  17.315  1.00 28.24    -0.648 OA
-ATOM   4579  OD2 ASP C  49      99.470  81.885  15.945  1.00 28.70    -0.648 OA
-ATOM   4580  N   VAL C  50      97.933  79.385  20.128  1.00 20.36    -0.346 N 
-ATOM   4581  HN  VAL C  50      97.235  80.120  20.015  1.00  0.00     0.163 HD
-ATOM   4582  CA  VAL C  50      97.497  78.064  20.614  1.00 20.13     0.180 C 
-ATOM   4583  C   VAL C  50      96.218  77.604  19.929  1.00 19.12     0.241 C 
-ATOM   4584  O   VAL C  50      95.384  78.414  19.591  1.00 18.59    -0.271 OA
-ATOM   4585  CB  VAL C  50      97.248  78.056  22.159  1.00 20.45     0.009 C 
-ATOM   4586  CG1 VAL C  50      96.771  76.657  22.637  1.00 22.39     0.012 C 
-ATOM   4587  CG2 VAL C  50      98.485  78.424  22.900  1.00 21.90     0.012 C 
-ATOM   4588  N   VAL C  51      96.067  76.283  19.778  1.00 18.16    -0.346 N 
-ATOM   4589  HN  VAL C  51      96.852  75.683  20.032  1.00  0.00     0.163 HD
-ATOM   4590  CA  VAL C  51      94.843  75.633  19.269  1.00 16.89     0.180 C 
-ATOM   4591  C   VAL C  51      94.330  74.685  20.363  1.00 16.59     0.241 C 
-ATOM   4592  O   VAL C  51      95.093  73.827  20.862  1.00 15.66    -0.271 OA
-ATOM   4593  CB  VAL C  51      95.098  74.789  18.002  1.00 17.25     0.009 C 
-ATOM   4594  CG1 VAL C  51      93.804  74.150  17.506  1.00 16.93     0.012 C 
-ATOM   4595  CG2 VAL C  51      95.708  75.599  16.907  1.00 16.67     0.012 C 
-ATOM   4596  N   PHE C  52      93.046  74.849  20.716  1.00 15.00    -0.346 N 
-ATOM   4597  HN  PHE C  52      92.484  75.521  20.194  1.00  0.00     0.163 HD
-ATOM   4598  CA  PHE C  52      92.419  74.127  21.793  1.00 15.30     0.180 C 
-ATOM   4599  C   PHE C  52      90.948  73.895  21.453  1.00 16.16     0.241 C 
-ATOM   4600  O   PHE C  52      90.325  74.712  20.741  1.00 15.89    -0.271 OA
-ATOM   4601  CB  PHE C  52      92.547  74.880  23.156  1.00 16.09     0.073 C 
-ATOM   4602  CG  PHE C  52      92.041  76.318  23.113  1.00 13.96    -0.056 A 
-ATOM   4603  CD1 PHE C  52      92.894  77.372  22.763  1.00 13.11     0.007 A 
-ATOM   4604  CD2 PHE C  52      90.716  76.592  23.381  1.00 12.72     0.007 A 
-ATOM   4605  CE1 PHE C  52      92.401  78.731  22.713  1.00 13.97     0.001 A 
-ATOM   4606  CE2 PHE C  52      90.201  77.904  23.339  1.00 11.78     0.001 A 
-ATOM   4607  CZ  PHE C  52      91.033  78.975  23.001  1.00 11.87     0.000 A 
-ATOM   4608  N   TRP C  53      90.409  72.779  21.974  1.00 15.93    -0.346 N 
-ATOM   4609  HN  TRP C  53      91.030  72.099  22.413  1.00  0.00     0.163 HD
-ATOM   4610  CA  TRP C  53      88.988  72.497  21.942  1.00 16.72     0.181 C 
-ATOM   4611  C   TRP C  53      88.406  73.062  23.197  1.00 17.50     0.241 C 
-ATOM   4612  O   TRP C  53      88.789  72.655  24.296  1.00 17.64    -0.271 OA
-ATOM   4613  CB  TRP C  53      88.715  70.970  21.896  1.00 15.88     0.075 C 
-ATOM   4614  CG  TRP C  53      89.293  70.299  20.684  1.00 15.80    -0.028 A 
-ATOM   4615  CD1 TRP C  53      89.779  70.900  19.542  1.00 15.80     0.096 A 
-ATOM   4616  CD2 TRP C  53      89.457  68.895  20.500  1.00 15.60    -0.002 A 
-ATOM   4617  CE2 TRP C  53      90.041  68.699  19.225  1.00 16.89     0.042 A 
-ATOM   4618  CE3 TRP C  53      89.156  67.771  21.286  1.00 17.89     0.014 A 
-ATOM   4619  NE1 TRP C  53      90.237  69.943  18.662  1.00 16.73    -0.365 N 
-ATOM   4620  HE1 TRP C  53      90.651  70.124  17.748  1.00  0.00     0.165 HD
-ATOM   4621  CZ2 TRP C  53      90.346  67.420  18.720  1.00 18.19     0.030 A 
-ATOM   4622  CZ3 TRP C  53      89.455  66.481  20.770  1.00 19.37     0.001 A 
-ATOM   4623  CH2 TRP C  53      90.053  66.333  19.498  1.00 18.72     0.002 A 
-ATOM   4624  N   GLN C  54      87.502  74.016  23.054  1.00 18.27    -0.346 N 
-ATOM   4625  HN  GLN C  54      87.208  74.291  22.117  1.00  0.00     0.163 HD
-ATOM   4626  CA  GLN C  54      86.915  74.684  24.216  1.00 19.30     0.177 C 
-ATOM   4627  C   GLN C  54      85.631  73.959  24.592  1.00 18.91     0.241 C 
-ATOM   4628  O   GLN C  54      84.539  74.337  24.120  1.00 18.63    -0.271 OA
-ATOM   4629  CB  GLN C  54      86.645  76.171  23.900  1.00 19.29     0.044 C 
-ATOM   4630  CG  GLN C  54      86.067  76.984  25.103  1.00 22.43     0.105 C 
-ATOM   4631  CD  GLN C  54      86.129  78.518  24.864  1.00 27.76     0.215 C 
-ATOM   4632  NE2 GLN C  54      84.981  79.144  24.801  1.00 29.09    -0.370 N 
-ATOM   4633 1HE2 GLN C  54      85.022  80.151  24.644  1.00  0.00     0.159 HD
-ATOM   4634 2HE2 GLN C  54      84.093  78.660  24.935  1.00  0.00     0.159 HD
-ATOM   4635  OE1 GLN C  54      87.205  79.104  24.702  1.00 29.24    -0.274 OA
-ATOM   4636  N   GLN C  55      85.769  72.896  25.403  1.00 19.05    -0.346 N 
-ATOM   4637  HN  GLN C  55      86.699  72.662  25.751  1.00  0.00     0.163 HD
-ATOM   4638  CA  GLN C  55      84.651  72.073  25.800  1.00 19.26     0.177 C 
-ATOM   4639  C   GLN C  55      83.753  72.857  26.736  1.00 19.50     0.241 C 
-ATOM   4640  O   GLN C  55      84.137  73.107  27.877  1.00 19.23    -0.271 OA
-ATOM   4641  CB  GLN C  55      85.119  70.788  26.498  1.00 19.31     0.044 C 
-ATOM   4642  CG  GLN C  55      83.960  69.907  26.928  1.00 21.80     0.105 C 
-ATOM   4643  CD  GLN C  55      84.372  68.578  27.606  1.00 26.35     0.215 C 
-ATOM   4644  NE2 GLN C  55      83.442  68.002  28.331  1.00 26.73    -0.370 N 
-ATOM   4645 1HE2 GLN C  55      82.514  68.406  28.456  1.00  0.00     0.159 HD
-ATOM   4646 2HE2 GLN C  55      83.714  67.126  28.778  1.00  0.00     0.159 HD
-ATOM   4647  OE1 GLN C  55      85.507  68.084  27.453  1.00 28.27    -0.274 OA
-ATOM   4648  N   THR C  56      82.536  73.146  26.278  1.00 19.14    -0.344 N 
-ATOM   4649  HN  THR C  56      82.263  72.770  25.370  1.00  0.00     0.163 HD
-ATOM   4650  CA  THR C  56      81.580  73.961  26.993  1.00 19.54     0.205 C 
-ATOM   4651  C   THR C  56      80.223  73.319  27.127  1.00 19.47     0.243 C 
-ATOM   4652  O   THR C  56      79.613  72.919  26.136  1.00 19.30    -0.271 OA
-ATOM   4653  CB  THR C  56      81.397  75.274  26.219  1.00 19.93     0.146 C 
-ATOM   4654  CG2 THR C  56      81.037  76.362  27.153  1.00 19.91     0.042 C 
-ATOM   4655  OG1 THR C  56      82.673  75.660  25.731  1.00 21.90    -0.393 OA
-ATOM   4656  HG1 THR C  56      82.560  76.473  25.252  1.00  0.00     0.210 HD
-ATOM   4657  N   THR C  57      79.706  73.344  28.344  1.00 18.98    -0.344 N 
-ATOM   4658  HN  THR C  57      80.107  73.984  29.030  1.00  0.00     0.163 HD
-ATOM   4659  CA  THR C  57      78.611  72.516  28.743  1.00 19.13     0.205 C 
-ATOM   4660  C   THR C  57      77.686  73.337  29.626  1.00 18.61     0.243 C 
-ATOM   4661  O   THR C  57      78.173  74.156  30.445  1.00 18.07    -0.271 OA
-ATOM   4662  CB  THR C  57      79.234  71.322  29.477  1.00 19.77     0.146 C 
-ATOM   4663  CG2 THR C  57      78.503  70.976  30.714  1.00 21.40     0.042 C 
-ATOM   4664  OG1 THR C  57      79.097  70.138  28.658  1.00 22.23    -0.393 OA
-ATOM   4665  HG1 THR C  57      79.567  70.360  27.863  1.00  0.00     0.210 HD
-ATOM   4666  N   TRP C  58      76.365  73.156  29.439  1.00 17.45    -0.346 N 
-ATOM   4667  HN  TRP C  58      76.054  72.503  28.720  1.00  0.00     0.163 HD
-ATOM   4668  CA  TRP C  58      75.351  73.871  30.239  1.00 17.19     0.181 C 
-ATOM   4669  C   TRP C  58      73.982  73.271  29.953  1.00 17.09     0.241 C 
-ATOM   4670  O   TRP C  58      73.782  72.529  29.006  1.00 16.97    -0.271 OA
-ATOM   4671  CB  TRP C  58      75.349  75.414  29.962  1.00 16.27     0.075 C 
-ATOM   4672  CG  TRP C  58      74.804  75.781  28.607  1.00 16.08    -0.028 A 
-ATOM   4673  CD1 TRP C  58      73.524  76.118  28.302  1.00 16.13     0.096 A 
-ATOM   4674  CD2 TRP C  58      75.529  75.834  27.367  1.00 15.29    -0.002 A 
-ATOM   4675  CE2 TRP C  58      74.612  76.189  26.353  1.00 13.80     0.042 A 
-ATOM   4676  CE3 TRP C  58      76.873  75.601  27.004  1.00 14.20     0.014 A 
-ATOM   4677  NE1 TRP C  58      73.394  76.370  26.953  1.00 15.42    -0.365 N 
-ATOM   4678  HE1 TRP C  58      72.533  76.646  26.480  1.00  0.00     0.165 HD
-ATOM   4679  CZ2 TRP C  58      74.978  76.302  25.017  1.00 13.77     0.030 A 
-ATOM   4680  CZ3 TRP C  58      77.222  75.708  25.677  1.00 14.05     0.001 A 
-ATOM   4681  CH2 TRP C  58      76.276  76.046  24.699  1.00 14.86     0.002 A 
-ATOM   4682  N   SER C  59      73.016  73.682  30.739  1.00 17.56    -0.344 N 
-ATOM   4683  HN  SER C  59      73.219  74.382  31.453  1.00  0.00     0.163 HD
-ATOM   4684  CA  SER C  59      71.679  73.171  30.620  1.00 18.74     0.200 C 
-ATOM   4685  C   SER C  59      70.672  74.245  30.207  1.00 18.67     0.243 C 
-ATOM   4686  O   SER C  59      70.626  75.334  30.795  1.00 18.54    -0.271 OA
-ATOM   4687  CB  SER C  59      71.278  72.550  31.947  1.00 18.67     0.199 C 
-ATOM   4688  OG  SER C  59      69.879  72.623  32.083  1.00 22.47    -0.398 OA
-ATOM   4689  HG  SER C  59      69.628  72.235  32.913  1.00  0.00     0.209 HD
-ATOM   4690  N   ASP C  60      69.854  73.918  29.211  1.00 19.02    -0.345 N 
-ATOM   4691  HN  ASP C  60      69.977  73.018  28.748  1.00  0.00     0.163 HD
-ATOM   4692  CA  ASP C  60      68.782  74.808  28.757  1.00 19.62     0.186 C 
-ATOM   4693  C   ASP C  60      67.490  74.010  28.636  1.00 19.38     0.241 C 
-ATOM   4694  O   ASP C  60      67.236  73.336  27.638  1.00 18.58    -0.271 OA
-ATOM   4695  CB  ASP C  60      69.137  75.469  27.418  1.00 19.50     0.147 C 
-ATOM   4696  CG  ASP C  60      68.121  76.541  26.981  1.00 22.06     0.175 C 
-ATOM   4697  OD1 ASP C  60      66.962  76.579  27.495  1.00 21.35    -0.648 OA
-ATOM   4698  OD2 ASP C  60      68.402  77.390  26.091  1.00 23.87    -0.648 OA
-ATOM   4699  N   ARG C  61      66.683  74.094  29.673  1.00 19.43    -0.346 N 
-ATOM   4700  HN  ARG C  61      66.926  74.727  30.435  1.00  0.00     0.163 HD
-ATOM   4701  CA  ARG C  61      65.465  73.322  29.772  1.00 20.40     0.176 C 
-ATOM   4702  C   ARG C  61      64.407  73.675  28.739  1.00 19.85     0.241 C 
-ATOM   4703  O   ARG C  61      63.596  72.794  28.390  1.00 18.92    -0.271 OA
-ATOM   4704  CB  ARG C  61      64.900  73.428  31.170  1.00 21.14     0.036 C 
-ATOM   4705  CG  ARG C  61      65.924  73.095  32.224  1.00 25.79     0.023 C 
-ATOM   4706  CD  ARG C  61      66.089  71.625  32.536  1.00 29.04     0.138 C 
-ATOM   4707  NE  ARG C  61      67.318  71.439  33.312  1.00 35.46    -0.227 N 
-ATOM   4708  HE  ARG C  61      68.182  71.290  32.791  1.00  0.00     0.177 HD
-ATOM   4709  CZ  ARG C  61      67.402  71.448  34.655  1.00 36.52     0.665 C 
-ATOM   4710  NH1 ARG C  61      66.324  71.608  35.420  1.00 36.77    -0.235 N 
-ATOM   4711 1HH1 ARG C  61      65.417  71.734  34.972  1.00  0.00     0.174 HD
-ATOM   4712 2HH1 ARG C  61      66.388  71.615  36.438  1.00  0.00     0.174 HD
-ATOM   4713  NH2 ARG C  61      68.584  71.284  35.239  1.00 37.84    -0.235 N 
-ATOM   4714 1HH2 ARG C  61      69.410  71.161  34.653  1.00  0.00     0.174 HD
-ATOM   4715 2HH2 ARG C  61      68.648  71.291  36.257  1.00  0.00     0.174 HD
-ATOM   4716  N   THR C  62      64.442  74.911  28.209  1.00 20.24    -0.344 N 
-ATOM   4717  HN  THR C  62      65.100  75.596  28.579  1.00  0.00     0.163 HD
-ATOM   4718  CA  THR C  62      63.540  75.295  27.095  1.00 20.76     0.205 C 
-ATOM   4719  C   THR C  62      63.788  74.461  25.817  1.00 20.39     0.243 C 
-ATOM   4720  O   THR C  62      62.963  74.482  24.911  1.00 20.84    -0.271 OA
-ATOM   4721  CB  THR C  62      63.593  76.800  26.758  1.00 20.83     0.146 C 
-ATOM   4722  CG2 THR C  62      63.534  77.690  28.036  1.00 21.96     0.042 C 
-ATOM   4723  OG1 THR C  62      64.864  77.125  26.204  1.00 22.48    -0.393 OA
-ATOM   4724  HG1 THR C  62      64.897  78.051  25.997  1.00  0.00     0.210 HD
-ATOM   4725  N   LEU C  63      64.908  73.741  25.741  1.00 19.67    -0.346 N 
-ATOM   4726  HN  LEU C  63      65.553  73.748  26.531  1.00  0.00     0.163 HD
-ATOM   4727  CA  LEU C  63      65.247  72.933  24.551  1.00 19.43     0.177 C 
-ATOM   4728  C   LEU C  63      64.688  71.508  24.689  1.00 19.26     0.241 C 
-ATOM   4729  O   LEU C  63      64.586  70.749  23.732  1.00 19.51    -0.271 OA
-ATOM   4730  CB  LEU C  63      66.757  72.888  24.361  1.00 18.66     0.038 C 
-ATOM   4731  CG  LEU C  63      67.522  74.187  24.110  1.00 20.55    -0.020 C 
-ATOM   4732  CD1 LEU C  63      69.042  73.904  23.917  1.00 18.83     0.009 C 
-ATOM   4733  CD2 LEU C  63      66.989  74.890  22.866  1.00 19.68     0.009 C 
-ATOM   4734  N   ALA C  64      64.315  71.162  25.903  1.00 18.96    -0.346 N 
-ATOM   4735  HN  ALA C  64      64.280  71.875  26.632  1.00  0.00     0.163 HD
-ATOM   4736  CA  ALA C  64      63.949  69.786  26.239  1.00 18.62     0.172 C 
-ATOM   4737  C   ALA C  64      62.765  69.266  25.443  1.00 18.71     0.240 C 
-ATOM   4738  O   ALA C  64      61.839  69.999  25.159  1.00 18.87    -0.271 OA
-ATOM   4739  CB  ALA C  64      63.656  69.689  27.693  1.00 18.30     0.042 C 
-ATOM   4740  N   TRP C  65      62.788  67.983  25.103  1.00 18.64    -0.346 N 
-ATOM   4741  HN  TRP C  65      63.626  67.432  25.286  1.00  0.00     0.163 HD
-ATOM   4742  CA  TRP C  65      61.641  67.350  24.475  1.00 18.40     0.181 C 
-ATOM   4743  C   TRP C  65      61.534  65.931  25.050  1.00 19.14     0.241 C 
-ATOM   4744  O   TRP C  65      62.524  65.381  25.562  1.00 18.92    -0.271 OA
-ATOM   4745  CB  TRP C  65      61.795  67.318  22.950  1.00 17.61     0.075 C 
-ATOM   4746  CG  TRP C  65      62.908  66.400  22.446  1.00 16.35    -0.028 A 
-ATOM   4747  CD1 TRP C  65      62.805  65.042  22.119  1.00 14.76     0.096 A 
-ATOM   4748  CD2 TRP C  65      64.288  66.749  22.239  1.00 13.69    -0.002 A 
-ATOM   4749  CE2 TRP C  65      64.958  65.576  21.776  1.00 12.47     0.042 A 
-ATOM   4750  CE3 TRP C  65      65.031  67.924  22.396  1.00 12.27     0.014 A 
-ATOM   4751  NE1 TRP C  65      64.026  64.567  21.707  1.00 13.16    -0.365 N 
-ATOM   4752  HE1 TRP C  65      64.213  63.613  21.398  1.00  0.00     0.165 HD
-ATOM   4753  CZ2 TRP C  65      66.345  65.560  21.450  1.00 11.31     0.030 A 
-ATOM   4754  CZ3 TRP C  65      66.426  67.896  22.088  1.00 12.04     0.001 A 
-ATOM   4755  CH2 TRP C  65      67.053  66.710  21.618  1.00 11.29     0.002 A 
-ATOM   4756  N   ASN C  66      60.329  65.371  24.982  1.00 19.55    -0.346 N 
-ATOM   4757  HN  ASN C  66      59.547  65.937  24.651  1.00  0.00     0.163 HD
-ATOM   4758  CA  ASN C  66      60.079  64.010  25.353  1.00 20.60     0.185 C 
-ATOM   4759  C   ASN C  66      60.689  63.056  24.339  1.00 20.63     0.241 C 
-ATOM   4760  O   ASN C  66      60.245  63.029  23.186  1.00 20.87    -0.271 OA
-ATOM   4761  CB  ASN C  66      58.550  63.796  25.482  1.00 21.20     0.137 C 
-ATOM   4762  CG  ASN C  66      58.191  62.471  26.136  1.00 22.79     0.217 C 
-ATOM   4763  ND2 ASN C  66      57.008  62.412  26.769  1.00 25.27    -0.370 N 
-ATOM   4764 1HD2 ASN C  66      56.767  61.523  27.208  1.00  0.00     0.159 HD
-ATOM   4765 2HD2 ASN C  66      56.387  63.217  26.848  1.00  0.00     0.159 HD
-ATOM   4766  OD1 ASN C  66      58.943  61.497  26.040  1.00 23.19    -0.274 OA
-ATOM   4767  N   SER C  67      61.688  62.275  24.768  1.00 21.26    -0.344 N 
-ATOM   4768  HN  SER C  67      61.997  62.346  25.738  1.00  0.00     0.163 HD
-ATOM   4769  CA  SER C  67      62.353  61.312  23.866  1.00 21.61     0.200 C 
-ATOM   4770  C   SER C  67      62.153  59.808  24.151  1.00 22.48     0.243 C 
-ATOM   4771  O   SER C  67      63.078  59.031  23.948  1.00 22.40    -0.271 OA
-ATOM   4772  CB  SER C  67      63.858  61.613  23.747  1.00 22.10     0.199 C 
-ATOM   4773  OG  SER C  67      64.528  61.547  24.991  1.00 19.99    -0.398 OA
-ATOM   4774  HG  SER C  67      65.457  61.733  24.918  1.00  0.00     0.209 HD
-ATOM   4775  N   SER C  68      60.959  59.394  24.582  1.00 23.33    -0.344 N 
-ATOM   4776  HN  SER C  68      60.204  60.072  24.686  1.00  0.00     0.163 HD
-ATOM   4777  CA  SER C  68      60.707  57.988  24.909  1.00 24.65     0.200 C 
-ATOM   4778  C   SER C  68      60.601  57.123  23.640  1.00 24.47     0.243 C 
-ATOM   4779  O   SER C  68      60.913  55.908  23.638  1.00 23.62    -0.271 OA
-ATOM   4780  CB  SER C  68      59.425  57.840  25.743  1.00 25.38     0.199 C 
-ATOM   4781  OG  SER C  68      58.339  58.502  25.097  1.00 28.52    -0.398 OA
-ATOM   4782  HG  SER C  68      57.546  58.410  25.613  1.00  0.00     0.209 HD
-ATOM   4783  N   HIS C  69      60.135  57.785  22.582  1.00 24.05    -0.346 N 
-ATOM   4784  HN  HIS C  69      59.826  58.747  22.722  1.00  0.00     0.163 HD
-ATOM   4785  CA  HIS C  69      60.037  57.232  21.247  1.00 24.02     0.182 C 
-ATOM   4786  C   HIS C  69      60.524  58.319  20.279  1.00 23.38     0.241 C 
-ATOM   4787  O   HIS C  69      59.828  58.701  19.339  1.00 23.68    -0.271 OA
-ATOM   4788  CB  HIS C  69      58.588  56.811  20.963  1.00 24.15     0.093 C 
-ATOM   4789  CG  HIS C  69      57.871  56.321  22.179  1.00 26.10     0.028 A 
-ATOM   4790  CD2 HIS C  69      56.966  56.925  22.985  1.00 27.19     0.114 A 
-ATOM   4791  ND1 HIS C  69      58.106  55.075  22.726  1.00 26.73    -0.354 N 
-ATOM   4792  HD1 HIS C  69      58.747  54.376  22.350  1.00  0.00     0.166 HD
-ATOM   4793  CE1 HIS C  69      57.370  54.931  23.811  1.00 26.82     0.180 A 
-ATOM   4794  NE2 HIS C  69      56.665  56.035  23.988  1.00 28.16    -0.360 N 
-ATOM   4795  HE2 HIS C  69      56.004  56.200  24.747  1.00  0.00     0.166 HD
-ATOM   4796  N   SER C  70      61.714  58.841  20.550  1.00 22.21    -0.344 N 
-ATOM   4797  HN  SER C  70      62.185  58.584  21.417  1.00  0.00     0.163 HD
-ATOM   4798  CA  SER C  70      62.359  59.769  19.641  1.00 21.86     0.200 C 
-ATOM   4799  C   SER C  70      63.857  59.696  19.831  1.00 21.49     0.245 C 
-ATOM   4800  O   SER C  70      64.318  59.195  20.849  1.00 21.18    -0.271 OA
-ATOM   4801  CB  SER C  70      61.879  61.212  19.897  1.00 21.77     0.199 C 
-ATOM   4802  OG  SER C  70      60.489  61.323  19.743  1.00 22.22    -0.398 OA
-ATOM   4803  HG  SER C  70      60.193  62.212  19.901  1.00  0.00     0.209 HD
-ATOM   4804  N   PRO C  71      64.619  60.177  18.851  1.00 21.14    -0.337 N 
-ATOM   4805  CA  PRO C  71      66.059  60.398  19.046  1.00 20.97     0.179 C 
-ATOM   4806  C   PRO C  71      66.252  61.239  20.310  1.00 20.81     0.241 C 
-ATOM   4807  O   PRO C  71      65.415  62.130  20.592  1.00 20.20    -0.271 OA
-ATOM   4808  CB  PRO C  71      66.460  61.215  17.818  1.00 21.14     0.037 C 
-ATOM   4809  CG  PRO C  71      65.461  60.833  16.761  1.00 21.42     0.022 C 
-ATOM   4810  CD  PRO C  71      64.176  60.493  17.482  1.00 21.27     0.127 C 
-ATOM   4811  N   ASP C  72      67.283  60.943  21.090  1.00 20.34    -0.346 N 
-ATOM   4812  HN  ASP C  72      67.931  60.196  20.839  1.00  0.00     0.163 HD
-ATOM   4813  CA  ASP C  72      67.464  61.705  22.303  1.00 21.17     0.186 C 
-ATOM   4814  C   ASP C  72      68.569  62.776  22.248  1.00 19.92     0.241 C 
-ATOM   4815  O   ASP C  72      68.791  63.441  23.239  1.00 20.08    -0.271 OA
-ATOM   4816  CB  ASP C  72      67.617  60.767  23.491  1.00 22.57     0.147 C 
-ATOM   4817  CG  ASP C  72      69.002  60.233  23.609  1.00 26.27     0.175 C 
-ATOM   4818  OD1 ASP C  72      69.571  59.877  22.549  1.00 30.09    -0.648 OA
-ATOM   4819  OD2 ASP C  72      69.606  60.179  24.705  1.00 31.67    -0.648 OA
-ATOM   4820  N   GLN C  73      69.198  62.958  21.076  1.00 18.23    -0.346 N 
-ATOM   4821  HN  GLN C  73      68.925  62.358  20.298  1.00  0.00     0.163 HD
-ATOM   4822  CA  GLN C  73      70.226  63.933  20.832  1.00 17.09     0.177 C 
-ATOM   4823  C   GLN C  73      70.189  64.450  19.372  1.00 16.09     0.241 C 
-ATOM   4824  O   GLN C  73      69.940  63.709  18.435  1.00 15.14    -0.271 OA
-ATOM   4825  CB  GLN C  73      71.586  63.321  21.054  1.00 17.55     0.044 C 
-ATOM   4826  CG  GLN C  73      72.080  63.412  22.472  1.00 20.70     0.105 C 
-ATOM   4827  CD  GLN C  73      73.544  63.015  22.632  1.00 22.78     0.215 C 
-ATOM   4828  NE2 GLN C  73      73.827  62.063  23.524  1.00 19.69    -0.370 N 
-ATOM   4829 1HE2 GLN C  73      73.110  61.576  24.062  1.00  0.00     0.159 HD
-ATOM   4830 2HE2 GLN C  73      74.806  61.798  23.631  1.00  0.00     0.159 HD
-ATOM   4831  OE1 GLN C  73      74.414  63.606  21.979  1.00 24.26    -0.274 OA
-ATOM   4832  N   VAL C  74      70.444  65.723  19.180  1.00 14.58    -0.346 N 
-ATOM   4833  HN  VAL C  74      70.548  66.342  19.984  1.00  0.00     0.163 HD
-ATOM   4834  CA  VAL C  74      70.581  66.267  17.824  1.00 14.11     0.180 C 
-ATOM   4835  C   VAL C  74      71.746  67.238  17.783  1.00 14.37     0.241 C 
-ATOM   4836  O   VAL C  74      72.121  67.787  18.845  1.00 13.78    -0.271 OA
-ATOM   4837  CB  VAL C  74      69.291  67.034  17.375  1.00 14.25     0.009 C 
-ATOM   4838  CG1 VAL C  74      68.126  66.063  17.049  1.00 13.31     0.012 C 
-ATOM   4839  CG2 VAL C  74      68.893  68.076  18.410  1.00 11.95     0.012 C 
-ATOM   4840  N   SER C  75      72.258  67.496  16.577  1.00 13.90    -0.344 N 
-ATOM   4841  HN  SER C  75      71.998  66.901  15.790  1.00  0.00     0.163 HD
-ATOM   4842  CA  SER C  75      73.183  68.611  16.354  1.00 14.71     0.200 C 
-ATOM   4843  C   SER C  75      72.454  69.847  15.868  1.00 15.27     0.243 C 
-ATOM   4844  O   SER C  75      71.646  69.752  14.934  1.00 15.58    -0.271 OA
-ATOM   4845  CB  SER C  75      74.240  68.249  15.309  1.00 14.40     0.199 C 
-ATOM   4846  OG  SER C  75      74.990  67.191  15.795  1.00 14.11    -0.398 OA
-ATOM   4847  HG  SER C  75      75.646  66.966  15.146  1.00  0.00     0.209 HD
-ATOM   4848  N   VAL C  76      72.763  70.994  16.470  1.00 15.45    -0.346 N 
-ATOM   4849  HN  VAL C  76      73.561  71.011  17.105  1.00  0.00     0.163 HD
-ATOM   4850  CA  VAL C  76      72.014  72.223  16.262  1.00 15.27     0.180 C 
-ATOM   4851  C   VAL C  76      72.996  73.395  15.956  1.00 15.43     0.243 C 
-ATOM   4852  O   VAL C  76      73.956  73.570  16.669  1.00 14.42    -0.271 OA
-ATOM   4853  CB  VAL C  76      71.199  72.592  17.492  1.00 15.89     0.009 C 
-ATOM   4854  CG1 VAL C  76      70.287  73.899  17.201  1.00 14.48     0.012 C 
-ATOM   4855  CG2 VAL C  76      70.358  71.447  17.975  1.00 14.12     0.012 C 
-ATOM   4856  N   PRO C  77      72.760  74.163  14.882  1.00 16.18    -0.337 N 
-ATOM   4857  CA  PRO C  77      73.567  75.367  14.621  1.00 16.86     0.179 C 
-ATOM   4858  C   PRO C  77      73.543  76.247  15.870  1.00 16.38     0.241 C 
-ATOM   4859  O   PRO C  77      72.482  76.386  16.413  1.00 16.20    -0.271 OA
-ATOM   4860  CB  PRO C  77      72.816  76.077  13.471  1.00 17.16     0.037 C 
-ATOM   4861  CG  PRO C  77      71.947  75.022  12.857  1.00 17.49     0.022 C 
-ATOM   4862  CD  PRO C  77      71.734  73.952  13.853  1.00 16.39     0.127 C 
-ATOM   4863  N   ILE C  78      74.672  76.752  16.358  1.00 17.42    -0.346 N 
-ATOM   4864  HN  ILE C  78      75.561  76.554  15.898  1.00  0.00     0.163 HD
-ATOM   4865  CA  ILE C  78      74.637  77.604  17.572  1.00 18.75     0.180 C 
-ATOM   4866  C   ILE C  78      73.843  78.923  17.354  1.00 19.69     0.241 C 
-ATOM   4867  O   ILE C  78      73.454  79.580  18.335  1.00 20.35    -0.271 OA
-ATOM   4868  CB  ILE C  78      76.051  77.916  18.071  1.00 19.42     0.013 C 
-ATOM   4869  CG1 ILE C  78      76.829  78.768  17.050  1.00 19.99     0.002 C 
-ATOM   4870  CG2 ILE C  78      76.761  76.665  18.496  1.00 18.16     0.012 C 
-ATOM   4871  CD1 ILE C  78      78.043  79.533  17.667  1.00 23.20     0.005 C 
-ATOM   4872  N   SER C  79      73.595  79.309  16.097  1.00 19.47    -0.344 N 
-ATOM   4873  HN  SER C  79      74.009  78.791  15.322  1.00  0.00     0.163 HD
-ATOM   4874  CA  SER C  79      72.739  80.462  15.817  1.00 20.90     0.200 C 
-ATOM   4875  C   SER C  79      71.287  80.205  16.243  1.00 20.77     0.243 C 
-ATOM   4876  O   SER C  79      70.527  81.137  16.445  1.00 20.53    -0.271 OA
-ATOM   4877  CB  SER C  79      72.813  80.875  14.325  1.00 21.55     0.199 C 
-ATOM   4878  OG  SER C  79      72.210  79.902  13.473  1.00 23.67    -0.398 OA
-ATOM   4879  HG  SER C  79      72.255  80.155  12.558  1.00  0.00     0.209 HD
-ATOM   4880  N   SER C  80      70.900  78.934  16.383  1.00 20.25    -0.344 N 
-ATOM   4881  HN  SER C  80      71.527  78.176  16.112  1.00  0.00     0.163 HD
-ATOM   4882  CA  SER C  80      69.576  78.631  16.925  1.00 20.64     0.200 C 
-ATOM   4883  C   SER C  80      69.530  78.448  18.430  1.00 20.09     0.243 C 
-ATOM   4884  O   SER C  80      68.464  78.168  18.945  1.00 20.94    -0.271 OA
-ATOM   4885  CB  SER C  80      68.999  77.370  16.284  1.00 20.30     0.199 C 
-ATOM   4886  OG  SER C  80      68.679  77.629  14.942  1.00 23.89    -0.398 OA
-ATOM   4887  HG  SER C  80      68.320  76.845  14.543  1.00  0.00     0.209 HD
-ATOM   4888  N   LEU C  81      70.657  78.594  19.127  1.00 19.41    -0.346 N 
-ATOM   4889  HN  LEU C  81      71.503  78.887  18.638  1.00  0.00     0.163 HD
-ATOM   4890  CA  LEU C  81      70.724  78.348  20.577  1.00 19.38     0.177 C 
-ATOM   4891  C   LEU C  81      71.252  79.577  21.316  1.00 18.25     0.241 C 
-ATOM   4892  O   LEU C  81      72.089  80.289  20.777  1.00 17.24    -0.271 OA
-ATOM   4893  CB  LEU C  81      71.760  77.222  20.870  1.00 20.11     0.038 C 
-ATOM   4894  CG  LEU C  81      71.452  75.859  20.294  1.00 21.53    -0.020 C 
-ATOM   4895  CD1 LEU C  81      72.454  74.830  20.786  1.00 21.84     0.009 C 
-ATOM   4896  CD2 LEU C  81      70.098  75.546  20.794  1.00 24.08     0.009 C 
-ATOM   4897  N   TRP C  82      70.856  79.750  22.574  1.00 17.35    -0.346 N 
-ATOM   4898  HN  TRP C  82      70.027  79.270  22.925  1.00  0.00     0.163 HD
-ATOM   4899  CA  TRP C  82      71.624  80.639  23.450  1.00 17.00     0.181 C 
-ATOM   4900  C   TRP C  82      72.920  79.894  23.733  1.00 17.30     0.241 C 
-ATOM   4901  O   TRP C  82      72.912  78.661  23.957  1.00 16.91    -0.271 OA
-ATOM   4902  CB  TRP C  82      70.913  80.931  24.747  1.00 15.79     0.075 C 
-ATOM   4903  CG  TRP C  82      71.746  81.774  25.717  1.00 17.03    -0.028 A 
-ATOM   4904  CD1 TRP C  82      71.811  83.170  25.779  1.00 15.57     0.096 A 
-ATOM   4905  CD2 TRP C  82      72.607  81.290  26.760  1.00 15.50    -0.002 A 
-ATOM   4906  CE2 TRP C  82      73.140  82.426  27.427  1.00 16.71     0.042 A 
-ATOM   4907  CE3 TRP C  82      72.944  80.005  27.233  1.00 15.01     0.014 A 
-ATOM   4908  NE1 TRP C  82      72.658  83.548  26.792  1.00 15.98    -0.365 N 
-ATOM   4909  HE1 TRP C  82      72.893  84.510  27.036  1.00  0.00     0.165 HD
-ATOM   4910  CZ2 TRP C  82      74.014  82.318  28.525  1.00 14.77     0.030 A 
-ATOM   4911  CZ3 TRP C  82      73.812  79.894  28.339  1.00 15.05     0.001 A 
-ATOM   4912  CH2 TRP C  82      74.338  81.042  28.960  1.00 15.72     0.002 A 
-ATOM   4913  N   VAL C  83      74.004  80.644  23.734  1.00 17.35    -0.346 N 
-ATOM   4914  HN  VAL C  83      73.892  81.633  23.512  1.00  0.00     0.163 HD
-ATOM   4915  CA  VAL C  83      75.353  80.168  24.028  1.00 18.04     0.180 C 
-ATOM   4916  C   VAL C  83      75.998  81.169  25.016  1.00 18.17     0.243 C 
-ATOM   4917  O   VAL C  83      75.800  82.367  24.873  1.00 17.59    -0.271 OA
-ATOM   4918  CB  VAL C  83      76.155  80.067  22.695  1.00 18.87     0.009 C 
-ATOM   4919  CG1 VAL C  83      77.656  79.902  22.921  1.00 20.25     0.012 C 
-ATOM   4920  CG2 VAL C  83      75.649  78.886  21.866  1.00 19.25     0.012 C 
-ATOM   4921  N   PRO C  84      76.729  80.694  26.037  1.00 18.34    -0.337 N 
-ATOM   4922  CA  PRO C  84      77.362  81.627  26.994  1.00 18.32     0.179 A 
-ATOM   4923  C   PRO C  84      78.340  82.593  26.308  1.00 17.86     0.241 C 
-ATOM   4924  O   PRO C  84      79.086  82.223  25.393  1.00 16.77    -0.271 OA
-ATOM   4925  CB  PRO C  84      78.075  80.718  28.015  1.00 18.28     0.037 A 
-ATOM   4926  CG  PRO C  84      77.856  79.298  27.539  1.00 18.97     0.022 A 
-ATOM   4927  CD  PRO C  84      76.999  79.278  26.341  1.00 18.37     0.127 A 
-ATOM   4928  N   ASP C  85      78.319  83.855  26.759  1.00 17.19    -0.346 N 
-ATOM   4929  HN  ASP C  85      77.700  84.098  27.532  1.00  0.00     0.163 HD
-ATOM   4930  CA  ASP C  85      79.168  84.896  26.165  1.00 16.83     0.186 C 
-ATOM   4931  C   ASP C  85      80.604  84.848  26.725  1.00 16.86     0.241 C 
-ATOM   4932  O   ASP C  85      81.107  85.826  27.304  1.00 16.76    -0.271 OA
-ATOM   4933  CB  ASP C  85      78.519  86.279  26.364  1.00 16.59     0.147 C 
-ATOM   4934  CG  ASP C  85      78.407  86.659  27.821  1.00 18.74     0.175 C 
-ATOM   4935  OD1 ASP C  85      78.272  85.734  28.667  1.00 17.91    -0.648 OA
-ATOM   4936  OD2 ASP C  85      78.514  87.859  28.232  1.00 19.79    -0.648 OA
-ATOM   4937  N   LEU C  86      81.259  83.688  26.612  1.00 16.63    -0.346 N 
-ATOM   4938  HN  LEU C  86      80.833  82.917  26.097  1.00  0.00     0.163 HD
-ATOM   4939  CA  LEU C  86      82.584  83.511  27.220  1.00 16.73     0.177 C 
-ATOM   4940  C   LEU C  86      83.633  84.279  26.447  1.00 17.05     0.241 C 
-ATOM   4941  O   LEU C  86      83.578  84.372  25.187  1.00 17.18    -0.271 OA
-ATOM   4942  CB  LEU C  86      82.973  82.021  27.310  1.00 16.64     0.038 C 
-ATOM   4943  CG  LEU C  86      82.025  81.185  28.160  1.00 16.70    -0.020 C 
-ATOM   4944  CD1 LEU C  86      82.492  79.717  28.199  1.00 17.31     0.009 C 
-ATOM   4945  CD2 LEU C  86      81.869  81.770  29.583  1.00 14.85     0.009 C 
-ATOM   4946  N   ALA C  87      84.584  84.840  27.185  1.00 16.68    -0.346 N 
-ATOM   4947  HN  ALA C  87      84.520  84.812  28.203  1.00  0.00     0.163 HD
-ATOM   4948  CA  ALA C  87      85.725  85.499  26.544  1.00 16.81     0.172 C 
-ATOM   4949  C   ALA C  87      87.006  85.158  27.278  1.00 16.53     0.240 C 
-ATOM   4950  O   ALA C  87      86.968  84.941  28.470  1.00 16.55    -0.271 OA
-ATOM   4951  CB  ALA C  87      85.511  87.016  26.496  1.00 16.40     0.042 C 
-ATOM   4952  N   ALA C  88      88.132  85.118  26.578  1.00 16.92    -0.346 N 
-ATOM   4953  HN  ALA C  88      88.101  85.197  25.562  1.00  0.00     0.163 HD
-ATOM   4954  CA  ALA C  88      89.425  84.961  27.260  1.00 17.05     0.172 C 
-ATOM   4955  C   ALA C  88      89.931  86.343  27.513  1.00 16.97     0.240 C 
-ATOM   4956  O   ALA C  88      90.165  87.096  26.556  1.00 16.94    -0.271 OA
-ATOM   4957  CB  ALA C  88      90.413  84.182  26.415  1.00 17.05     0.042 C 
-ATOM   4958  N   TYR C  89      90.108  86.677  28.791  1.00 16.52    -0.346 N 
-ATOM   4959  HN  TYR C  89      89.959  85.971  29.512  1.00  0.00     0.163 HD
-ATOM   4960  CA  TYR C  89      90.514  88.042  29.197  1.00 16.91     0.180 C 
-ATOM   4961  C   TYR C  89      91.909  88.446  28.706  1.00 16.74     0.241 C 
-ATOM   4962  O   TYR C  89      92.157  89.628  28.505  1.00 16.99    -0.271 OA
-ATOM   4963  CB  TYR C  89      90.475  88.234  30.724  1.00 16.64     0.073 C 
-ATOM   4964  CG  TYR C  89      89.115  88.407  31.301  1.00 17.59    -0.056 A 
-ATOM   4965  CD1 TYR C  89      88.103  87.451  31.101  1.00 18.35     0.010 A 
-ATOM   4966  CD2 TYR C  89      88.826  89.527  32.078  1.00 18.27     0.010 A 
-ATOM   4967  CE1 TYR C  89      86.820  87.627  31.643  1.00 21.10     0.037 A 
-ATOM   4968  CE2 TYR C  89      87.558  89.713  32.631  1.00 19.32     0.037 A 
-ATOM   4969  CZ  TYR C  89      86.555  88.773  32.417  1.00 22.12     0.065 A 
-ATOM   4970  OH  TYR C  89      85.314  88.967  32.984  1.00 23.78    -0.361 OA
-ATOM   4971  HH  TYR C  89      85.135  89.740  33.506  1.00  0.00     0.217 HD
-ATOM   4972  N   ASN C  90      92.822  87.480  28.548  1.00 15.56    -0.346 N 
-ATOM   4973  HN  ASN C  90      92.582  86.506  28.731  1.00  0.00     0.163 HD
-ATOM   4974  CA  ASN C  90      94.179  87.846  28.106  1.00 15.41     0.185 C 
-ATOM   4975  C   ASN C  90      94.434  87.482  26.627  1.00 15.13     0.241 C 
-ATOM   4976  O   ASN C  90      95.576  87.411  26.195  1.00 14.61    -0.271 OA
-ATOM   4977  CB  ASN C  90      95.249  87.272  29.029  1.00 14.52     0.137 C 
-ATOM   4978  CG  ASN C  90      95.141  85.764  29.146  1.00 15.87     0.217 C 
-ATOM   4979  ND2 ASN C  90      96.267  85.083  29.123  1.00 13.61    -0.370 N 
-ATOM   4980 1HD2 ASN C  90      97.184  85.527  29.078  1.00  0.00     0.159 HD
-ATOM   4981 2HD2 ASN C  90      96.194  84.069  29.202  1.00  0.00     0.159 HD
-ATOM   4982  OD1 ASN C  90      94.028  85.225  29.201  1.00 16.66    -0.274 OA
-ATOM   4983  N   ALA C  91      93.350  87.283  25.871  1.00 14.56    -0.346 N 
-ATOM   4984  HN  ALA C  91      92.431  87.278  26.313  1.00  0.00     0.163 HD
-ATOM   4985  CA  ALA C  91      93.446  87.074  24.438  1.00 14.94     0.172 C 
-ATOM   4986  C   ALA C  91      93.861  88.374  23.752  1.00 14.83     0.240 C 
-ATOM   4987  O   ALA C  91      93.408  89.453  24.137  1.00 13.91    -0.271 OA
-ATOM   4988  CB  ALA C  91      92.126  86.577  23.868  1.00 14.81     0.042 C 
-ATOM   4989  N   ILE C  92      94.721  88.253  22.745  1.00 14.76    -0.346 N 
-ATOM   4990  HN  ILE C  92      95.076  87.328  22.502  1.00  0.00     0.163 HD
-ATOM   4991  CA  ILE C  92      95.168  89.410  21.980  1.00 15.83     0.180 C 
-ATOM   4992  C   ILE C  92      94.782  89.265  20.492  1.00 16.54     0.241 C 
-ATOM   4993  O   ILE C  92      95.169  90.068  19.646  1.00 16.21    -0.271 OA
-ATOM   4994  CB  ILE C  92      96.687  89.639  22.180  1.00 16.21     0.013 C 
-ATOM   4995  CG1 ILE C  92      97.491  88.361  21.844  1.00 15.78     0.002 C 
-ATOM   4996  CG2 ILE C  92      96.976  90.124  23.630  1.00 14.97     0.012 C 
-ATOM   4997  CD1 ILE C  92      99.018  88.605  21.706  1.00 15.42     0.005 C 
-ATOM   4998  N   SER C  93      94.025  88.216  20.182  1.00 17.04    -0.344 N 
-ATOM   4999  HN  SER C  93      93.853  87.498  20.886  1.00  0.00     0.163 HD
-ATOM   5000  CA  SER C  93      93.437  88.073  18.857  1.00 18.21     0.200 C 
-ATOM   5001  C   SER C  93      92.050  87.547  19.067  1.00 18.85     0.243 C 
-ATOM   5002  O   SER C  93      91.732  86.993  20.148  1.00 18.82    -0.271 OA
-ATOM   5003  CB  SER C  93      94.248  87.098  17.978  1.00 18.21     0.199 C 
-ATOM   5004  OG  SER C  93      94.121  85.749  18.441  1.00 17.70    -0.398 OA
-ATOM   5005  HG  SER C  93      94.620  85.149  17.900  1.00  0.00     0.209 HD
-ATOM   5006  N   LYS C  94      91.211  87.682  18.057  1.00 20.03    -0.346 N 
-ATOM   5007  HN  LYS C  94      91.508  88.132  17.191  1.00  0.00     0.163 HD
-ATOM   5008  CA  LYS C  94      89.856  87.176  18.203  1.00 22.28     0.176 C 
-ATOM   5009  C   LYS C  94      89.818  85.663  17.976  1.00 22.46     0.243 C 
-ATOM   5010  O   LYS C  94      90.572  85.120  17.145  1.00 23.68    -0.271 OA
-ATOM   5011  CB  LYS C  94      88.848  87.986  17.337  1.00 22.90     0.035 C 
-ATOM   5012  CG  LYS C  94      88.767  87.635  15.868  1.00 26.29     0.004 C 
-ATOM   5013  CD  LYS C  94      87.968  88.730  15.093  1.00 29.36     0.027 C 
-ATOM   5014  CE  LYS C  94      88.368  88.764  13.603  1.00 30.35     0.229 C 
-ATOM   5015  NZ  LYS C  94      88.173  90.128  12.900  1.00 31.19    -0.079 N 
-ATOM   5016  HZ1 LYS C  94      88.437  90.150  11.915  1.00  0.00     0.274 HD
-ATOM   5017  HZ2 LYS C  94      88.665  90.860  13.412  1.00  0.00     0.274 HD
-ATOM   5018  HZ3 LYS C  94      87.210  90.446  13.012  1.00  0.00     0.274 HD
-ATOM   5019  N   PRO C  95      88.979  84.956  18.720  1.00 22.62    -0.337 N 
-ATOM   5020  CA  PRO C  95      88.984  83.493  18.611  1.00 21.78     0.179 C 
-ATOM   5021  C   PRO C  95      88.727  83.128  17.136  1.00 22.56     0.241 C 
-ATOM   5022  O   PRO C  95      87.765  83.647  16.572  1.00 22.84    -0.271 OA
-ATOM   5023  CB  PRO C  95      87.822  83.071  19.504  1.00 21.27     0.037 C 
-ATOM   5024  CG  PRO C  95      86.976  84.410  19.744  1.00 21.03     0.022 C 
-ATOM   5025  CD  PRO C  95      87.963  85.462  19.673  1.00 22.28     0.127 C 
-ATOM   5026  N   GLU C  96      89.606  82.330  16.521  1.00 22.03    -0.346 N 
-ATOM   5027  HN  GLU C  96      90.476  82.105  17.003  1.00  0.00     0.163 HD
-ATOM   5028  CA  GLU C  96      89.380  81.763  15.189  1.00 22.58     0.177 C 
-ATOM   5029  C   GLU C  96      88.789  80.327  15.399  1.00 21.42     0.241 C 
-ATOM   5030  O   GLU C  96      89.466  79.446  15.907  1.00 21.44    -0.271 OA
-ATOM   5031  CB  GLU C  96      90.710  81.735  14.439  1.00 23.06     0.045 C 
-ATOM   5032  CG  GLU C  96      90.670  81.386  12.957  1.00 28.15     0.116 C 
-ATOM   5033  CD  GLU C  96      92.078  81.362  12.320  1.00 35.31     0.172 C 
-ATOM   5034  OE1 GLU C  96      92.973  82.111  12.825  1.00 38.69    -0.648 OA
-ATOM   5035  OE2 GLU C  96      92.296  80.642  11.297  1.00 38.39    -0.648 OA
-ATOM   5036  N   VAL C  97      87.519  80.154  15.078  1.00 20.26    -0.346 N 
-ATOM   5037  HN  VAL C  97      86.998  80.967  14.750  1.00  0.00     0.163 HD
-ATOM   5038  CA  VAL C  97      86.813  78.890  15.159  1.00 19.49     0.180 C 
-ATOM   5039  C   VAL C  97      87.112  78.020  13.931  1.00 19.13     0.241 C 
-ATOM   5040  O   VAL C  97      86.785  78.378  12.801  1.00 18.69    -0.271 OA
-ATOM   5041  CB  VAL C  97      85.285  79.101  15.327  1.00 19.80     0.009 C 
-ATOM   5042  CG1 VAL C  97      84.584  77.776  15.566  1.00 18.67     0.012 C 
-ATOM   5043  CG2 VAL C  97      84.965  80.120  16.536  1.00 18.78     0.012 C 
-ATOM   5044  N   LEU C  98      87.770  76.896  14.147  1.00 18.53    -0.346 N 
-ATOM   5045  HN  LEU C  98      87.966  76.603  15.104  1.00  0.00     0.163 HD
-ATOM   5046  CA  LEU C  98      88.222  76.066  13.030  1.00 18.98     0.177 C 
-ATOM   5047  C   LEU C  98      87.220  74.966  12.604  1.00 19.06     0.241 C 
-ATOM   5048  O   LEU C  98      87.438  74.304  11.573  1.00 19.54    -0.271 OA
-ATOM   5049  CB  LEU C  98      89.568  75.399  13.385  1.00 18.86     0.038 C 
-ATOM   5050  CG  LEU C  98      90.677  76.297  13.935  1.00 20.04    -0.020 C 
-ATOM   5051  CD1 LEU C  98      91.850  75.437  14.285  1.00 19.17     0.009 C 
-ATOM   5052  CD2 LEU C  98      91.105  77.357  12.923  1.00 20.27     0.009 C 
-ATOM   5053  N   THR C  99      86.162  74.745  13.395  1.00 18.29    -0.344 N 
-ATOM   5054  HN  THR C  99      85.987  75.380  14.174  1.00  0.00     0.163 HD
-ATOM   5055  CA  THR C  99      85.250  73.625  13.178  1.00 17.97     0.205 C 
-ATOM   5056  C   THR C  99      83.839  74.093  12.863  1.00 18.22     0.245 C 
-ATOM   5057  O   THR C  99      83.540  75.262  13.049  1.00 18.24    -0.271 OA
-ATOM   5058  CB  THR C  99      85.185  72.824  14.437  1.00 18.03     0.146 C 
-ATOM   5059  CG2 THR C  99      86.492  71.954  14.570  1.00 16.43     0.042 C 
-ATOM   5060  OG1 THR C  99      85.198  73.742  15.535  1.00 16.67    -0.393 OA
-ATOM   5061  HG1 THR C  99      85.157  73.233  16.336  1.00  0.00     0.210 HD
-ATOM   5062  N   PRO C 100      82.984  73.184  12.352  1.00 18.37    -0.337 N 
-ATOM   5063  CA  PRO C 100      81.558  73.494  12.147  1.00 18.30     0.179 C 
-ATOM   5064  C   PRO C 100      80.900  73.998  13.422  1.00 18.74     0.241 C 
-ATOM   5065  O   PRO C 100      81.081  73.402  14.479  1.00 17.92    -0.271 OA
-ATOM   5066  CB  PRO C 100      80.965  72.173  11.687  1.00 18.18     0.037 C 
-ATOM   5067  CG  PRO C 100      82.097  71.495  10.998  1.00 18.86     0.022 C 
-ATOM   5068  CD  PRO C 100      83.337  71.850  11.821  1.00 18.03     0.127 C 
-ATOM   5069  N   GLN C 101      80.156  75.095  13.314  1.00 18.50    -0.346 N 
-ATOM   5070  HN  GLN C 101      79.982  75.503  12.396  1.00  0.00     0.163 HD
-ATOM   5071  CA  GLN C 101      79.587  75.718  14.510  1.00 19.43     0.177 C 
-ATOM   5072  C   GLN C 101      78.268  75.069  14.930  1.00 19.05     0.241 C 
-ATOM   5073  O   GLN C 101      77.184  75.658  14.798  1.00 19.18    -0.271 OA
-ATOM   5074  CB  GLN C 101      79.504  77.248  14.336  1.00 19.22     0.044 C 
-ATOM   5075  CG  GLN C 101      80.916  77.889  14.386  1.00 23.56     0.105 C 
-ATOM   5076  CD  GLN C 101      80.947  79.382  14.053  1.00 28.89     0.215 C 
-ATOM   5077  NE2 GLN C 101      81.824  79.775  13.121  1.00 29.54    -0.370 N 
-ATOM   5078 1HE2 GLN C 101      82.433  79.118  12.634  1.00  0.00     0.159 HD
-ATOM   5079 2HE2 GLN C 101      81.845  80.770  12.899  1.00  0.00     0.159 HD
-ATOM   5080  OE1 GLN C 101      80.212  80.175  14.641  1.00 31.64    -0.274 OA
-ATOM   5081  N   LEU C 102      78.374  73.834  15.428  1.00 18.60    -0.346 N 
-ATOM   5082  HN  LEU C 102      79.303  73.430  15.548  1.00  0.00     0.163 HD
-ATOM   5083  CA  LEU C 102      77.199  73.037  15.809  1.00 17.69     0.177 C 
-ATOM   5084  C   LEU C 102      77.340  72.627  17.239  1.00 16.76     0.241 C 
-ATOM   5085  O   LEU C 102      78.440  72.318  17.688  1.00 16.20    -0.271 OA
-ATOM   5086  CB  LEU C 102      77.037  71.790  14.916  1.00 17.63     0.038 C 
-ATOM   5087  CG  LEU C 102      76.935  71.986  13.410  1.00 20.34    -0.020 C 
-ATOM   5088  CD1 LEU C 102      76.937  70.631  12.679  1.00 21.23     0.009 C 
-ATOM   5089  CD2 LEU C 102      75.713  72.768  12.978  1.00 19.97     0.009 C 
-ATOM   5090  N   ALA C 103      76.228  72.636  17.952  1.00 15.86    -0.346 N 
-ATOM   5091  HN  ALA C 103      75.361  72.980  17.540  1.00  0.00     0.163 HD
-ATOM   5092  CA  ALA C 103      76.241  72.153  19.329  1.00 16.73     0.172 C 
-ATOM   5093  C   ALA C 103      75.465  70.855  19.357  1.00 16.27     0.240 C 
-ATOM   5094  O   ALA C 103      74.590  70.613  18.528  1.00 17.03    -0.271 OA
-ATOM   5095  CB  ALA C 103      75.606  73.157  20.279  1.00 15.57     0.042 C 
-ATOM   5096  N   ARG C 104      75.738  70.054  20.344  1.00 16.30    -0.346 N 
-ATOM   5097  HN  ARG C 104      76.460  70.310  21.017  1.00  0.00     0.163 HD
-ATOM   5098  CA  ARG C 104      75.021  68.790  20.499  1.00 15.80     0.176 C 
-ATOM   5099  C   ARG C 104      74.039  69.047  21.626  1.00 15.36     0.241 C 
-ATOM   5100  O   ARG C 104      74.445  69.478  22.665  1.00 15.78    -0.271 OA
-ATOM   5101  CB  ARG C 104      76.035  67.708  20.808  1.00 15.92     0.036 C 
-ATOM   5102  CG  ARG C 104      75.537  66.291  20.632  1.00 17.71     0.023 C 
-ATOM   5103  CD  ARG C 104      75.371  65.874  19.154  1.00 17.58     0.138 C 
-ATOM   5104  NE  ARG C 104      74.832  64.526  19.177  1.00 16.39    -0.227 N 
-ATOM   5105  HE  ARG C 104      74.923  64.010  20.052  1.00  0.00     0.177 HD
-ATOM   5106  CZ  ARG C 104      74.239  63.905  18.184  1.00 16.83     0.665 C 
-ATOM   5107  NH1 ARG C 104      74.119  64.464  16.986  1.00 12.88    -0.235 N 
-ATOM   5108 1HH1 ARG C 104      73.658  63.981  16.214  1.00  0.00     0.174 HD
-ATOM   5109 2HH1 ARG C 104      74.455  65.412  16.814  1.00  0.00     0.174 HD
-ATOM   5110  NH2 ARG C 104      73.801  62.669  18.408  1.00 14.65    -0.235 N 
-ATOM   5111 1HH2 ARG C 104      73.340  62.186  17.636  1.00  0.00     0.174 HD
-ATOM   5112 2HH2 ARG C 104      73.893  62.239  19.329  1.00  0.00     0.174 HD
-ATOM   5113  N   VAL C 105      72.748  68.829  21.394  1.00 15.02    -0.346 N 
-ATOM   5114  HN  VAL C 105      72.473  68.501  20.468  1.00  0.00     0.163 HD
-ATOM   5115  CA  VAL C 105      71.701  69.034  22.395  1.00 14.16     0.180 C 
-ATOM   5116  C   VAL C 105      71.032  67.686  22.753  1.00 14.70     0.241 C 
-ATOM   5117  O   VAL C 105      70.617  66.935  21.857  1.00 14.02    -0.271 OA
-ATOM   5118  CB  VAL C 105      70.638  69.994  21.860  1.00 14.88     0.009 C 
-ATOM   5119  CG1 VAL C 105      69.484  70.173  22.861  1.00 14.35     0.012 C 
-ATOM   5120  CG2 VAL C 105      71.273  71.399  21.495  1.00 14.22     0.012 C 
-ATOM   5121  N   VAL C 106      70.935  67.400  24.055  1.00 14.38    -0.346 N 
-ATOM   5122  HN  VAL C 106      71.300  68.075  24.727  1.00  0.00     0.163 HD
-ATOM   5123  CA  VAL C 106      70.322  66.147  24.576  1.00 14.26     0.180 C 
-ATOM   5124  C   VAL C 106      68.868  66.484  24.948  1.00 14.62     0.241 C 
-ATOM   5125  O   VAL C 106      68.529  67.667  25.220  1.00 13.73    -0.271 OA
-ATOM   5126  CB  VAL C 106      71.097  65.606  25.786  1.00 14.53     0.009 C 
-ATOM   5127  CG1 VAL C 106      70.582  64.185  26.264  1.00 13.63     0.012 C 
-ATOM   5128  CG2 VAL C 106      72.580  65.527  25.467  1.00 15.10     0.012 C 
-ATOM   5129  N   SER C 107      67.999  65.471  24.945  1.00 14.55    -0.344 N 
-ATOM   5130  HN  SER C 107      68.334  64.517  24.813  1.00  0.00     0.163 HD
-ATOM   5131  CA  SER C 107      66.564  65.720  25.130  1.00 15.21     0.200 C 
-ATOM   5132  C   SER C 107      66.174  66.303  26.485  1.00 15.57     0.243 C 
-ATOM   5133  O   SER C 107      65.073  66.792  26.638  1.00 15.52    -0.271 OA
-ATOM   5134  CB  SER C 107      65.757  64.459  24.897  1.00 15.09     0.199 C 
-ATOM   5135  OG  SER C 107      66.069  63.485  25.871  1.00 14.41    -0.398 OA
-ATOM   5136  HG  SER C 107      65.563  62.694  25.725  1.00  0.00     0.209 HD
-ATOM   5137  N   ASP C 108      67.054  66.231  27.473  1.00 16.50    -0.345 N 
-ATOM   5138  HN  ASP C 108      67.932  65.731  27.335  1.00  0.00     0.163 HD
-ATOM   5139  CA  ASP C 108      66.774  66.862  28.754  1.00 17.70     0.186 C 
-ATOM   5140  C   ASP C 108      67.225  68.319  28.791  1.00 17.58     0.241 C 
-ATOM   5141  O   ASP C 108      67.088  68.975  29.816  1.00 17.82    -0.271 OA
-ATOM   5142  CB  ASP C 108      67.403  66.081  29.910  1.00 17.99     0.147 C 
-ATOM   5143  CG  ASP C 108      68.928  65.990  29.821  1.00 21.23     0.175 C 
-ATOM   5144  OD1 ASP C 108      69.560  66.590  28.906  1.00 23.29    -0.648 OA
-ATOM   5145  OD2 ASP C 108      69.590  65.327  30.638  1.00 24.37    -0.648 OA
-ATOM   5146  N   GLY C 109      67.741  68.833  27.674  1.00 17.55    -0.351 N 
-ATOM   5147  HN  GLY C 109      67.797  68.251  26.838  1.00  0.00     0.163 HD
-ATOM   5148  CA  GLY C 109      68.224  70.199  27.619  1.00 17.34     0.225 C 
-ATOM   5149  C   GLY C 109      69.709  70.403  27.852  1.00 17.48     0.236 C 
-ATOM   5150  O   GLY C 109      70.166  71.550  27.922  1.00 18.25    -0.272 OA
-ATOM   5151  N   GLU C 110      70.481  69.330  27.990  1.00 17.57    -0.346 N 
-ATOM   5152  HN  GLU C 110      70.064  68.399  27.977  1.00  0.00     0.163 HD
-ATOM   5153  CA  GLU C 110      71.931  69.478  28.161  1.00 18.45     0.177 C 
-ATOM   5154  C   GLU C 110      72.517  69.795  26.804  1.00 17.63     0.241 C 
-ATOM   5155  O   GLU C 110      72.178  69.156  25.804  1.00 17.41    -0.271 OA
-ATOM   5156  CB  GLU C 110      72.632  68.246  28.721  1.00 18.85     0.045 C 
-ATOM   5157  CG  GLU C 110      72.352  67.875  30.189  1.00 24.54     0.116 C 
-ATOM   5158  CD  GLU C 110      72.682  69.003  31.177  1.00 31.53     0.172 C 
-ATOM   5159  OE1 GLU C 110      73.839  69.540  31.166  1.00 33.65    -0.648 OA
-ATOM   5160  OE2 GLU C 110      71.761  69.381  31.948  1.00 34.58    -0.648 OA
-ATOM   5161  N   VAL C 111      73.409  70.778  26.781  1.00 16.94    -0.346 N 
-ATOM   5162  HN  VAL C 111      73.618  71.268  27.651  1.00  0.00     0.163 HD
-ATOM   5163  CA  VAL C 111      74.094  71.183  25.581  1.00 15.97     0.180 C 
-ATOM   5164  C   VAL C 111      75.592  70.979  25.750  1.00 16.15     0.241 C 
-ATOM   5165  O   VAL C 111      76.133  71.262  26.804  1.00 15.65    -0.271 OA
-ATOM   5166  CB  VAL C 111      73.829  72.703  25.284  1.00 16.22     0.009 C 
-ATOM   5167  CG1 VAL C 111      74.424  73.093  23.929  1.00 15.13     0.012 C 
-ATOM   5168  CG2 VAL C 111      72.353  73.022  25.349  1.00 14.05     0.012 C 
-ATOM   5169  N   LEU C 112      76.244  70.523  24.681  1.00 15.92    -0.346 N 
-ATOM   5170  HN  LEU C 112      75.692  70.177  23.896  1.00  0.00     0.163 HD
-ATOM   5171  CA  LEU C 112      77.697  70.488  24.564  1.00 16.30     0.177 C 
-ATOM   5172  C   LEU C 112      78.088  71.247  23.320  1.00 16.59     0.241 C 
-ATOM   5173  O   LEU C 112      77.648  70.906  22.197  1.00 15.72    -0.271 OA
-ATOM   5174  CB  LEU C 112      78.208  69.030  24.473  1.00 16.70     0.038 C 
-ATOM   5175  CG  LEU C 112      79.679  68.824  24.046  1.00 18.46    -0.020 C 
-ATOM   5176  CD1 LEU C 112      80.651  69.383  25.058  1.00 16.04     0.009 C 
-ATOM   5177  CD2 LEU C 112      79.988  67.339  23.815  1.00 19.98     0.009 C 
-ATOM   5178  N   TYR C 113      78.839  72.318  23.509  1.00 16.45    -0.346 N 
-ATOM   5179  HN  TYR C 113      79.004  72.653  24.458  1.00  0.00     0.163 HD
-ATOM   5180  CA  TYR C 113      79.433  73.027  22.389  1.00 17.31     0.180 C 
-ATOM   5181  C   TYR C 113      80.950  72.982  22.543  1.00 17.29     0.241 C 
-ATOM   5182  O   TYR C 113      81.451  73.372  23.590  1.00 17.18    -0.271 OA
-ATOM   5183  CB  TYR C 113      78.926  74.461  22.351  1.00 17.50     0.073 C 
-ATOM   5184  CG  TYR C 113      79.486  75.257  21.211  1.00 18.49    -0.056 A 
-ATOM   5185  CD1 TYR C 113      79.557  74.710  19.927  1.00 19.91     0.010 A 
-ATOM   5186  CD2 TYR C 113      80.003  76.535  21.417  1.00 19.68     0.010 A 
-ATOM   5187  CE1 TYR C 113      80.093  75.433  18.869  1.00 22.14     0.037 A 
-ATOM   5188  CE2 TYR C 113      80.541  77.285  20.337  1.00 19.70     0.037 A 
-ATOM   5189  CZ  TYR C 113      80.578  76.726  19.083  1.00 22.45     0.065 A 
-ATOM   5190  OH  TYR C 113      81.122  77.426  18.008  1.00 27.17    -0.361 OA
-ATOM   5191  HH  TYR C 113      81.452  78.305  18.153  1.00  0.00     0.217 HD
-ATOM   5192  N   MET C 114      81.654  72.463  21.530  1.00 16.99    -0.346 N 
-ATOM   5193  HN  MET C 114      81.179  72.268  20.649  1.00  0.00     0.163 HD
-ATOM   5194  CA  MET C 114      83.076  72.167  21.643  1.00 17.24     0.177 C 
-ATOM   5195  C   MET C 114      83.825  72.556  20.362  1.00 16.93     0.243 C 
-ATOM   5196  O   MET C 114      84.285  71.694  19.596  1.00 16.10    -0.271 OA
-ATOM   5197  CB  MET C 114      83.322  70.668  21.986  1.00 17.90     0.045 C 
-ATOM   5198  CG  MET C 114      84.790  70.370  22.340  1.00 20.47     0.076 C 
-ATOM   5199  SD  MET C 114      85.024  68.862  23.367  1.00 27.05    -0.173 SA
-ATOM   5200  CE  MET C 114      83.488  68.140  23.255  1.00 26.54     0.089 C 
-ATOM   5201  N   PRO C 115      83.972  73.868  20.134  1.00 16.55    -0.337 N 
-ATOM   5202  CA  PRO C 115      84.704  74.342  18.960  1.00 16.53     0.179 C 
-ATOM   5203  C   PRO C 115      86.214  74.175  19.109  1.00 16.48     0.241 C 
-ATOM   5204  O   PRO C 115      86.711  74.230  20.206  1.00 16.56    -0.271 OA
-ATOM   5205  CB  PRO C 115      84.359  75.830  18.915  1.00 16.47     0.037 C 
-ATOM   5206  CG  PRO C 115      84.083  76.174  20.351  1.00 15.99     0.022 C 
-ATOM   5207  CD  PRO C 115      83.408  74.979  20.933  1.00 16.29     0.127 C 
-ATOM   5208  N   SER C 116      86.910  73.927  18.013  1.00 16.28    -0.344 N 
-ATOM   5209  HN  SER C 116      86.416  73.678  17.156  1.00  0.00     0.163 HD
-ATOM   5210  CA  SER C 116      88.348  73.999  17.997  1.00 16.62     0.200 C 
-ATOM   5211  C   SER C 116      88.672  75.470  17.722  1.00 16.54     0.243 C 
-ATOM   5212  O   SER C 116      88.163  76.056  16.763  1.00 16.07    -0.271 OA
-ATOM   5213  CB  SER C 116      88.891  73.122  16.894  1.00 16.19     0.199 C 
-ATOM   5214  OG  SER C 116      90.277  73.131  16.958  1.00 18.67    -0.398 OA
-ATOM   5215  HG  SER C 116      90.619  72.579  16.264  1.00  0.00     0.209 HD
-ATOM   5216  N   ILE C 117      89.488  76.062  18.592  1.00 16.91    -0.346 N 
-ATOM   5217  HN  ILE C 117      89.911  75.507  19.336  1.00  0.00     0.163 HD
-ATOM   5218  CA  ILE C 117      89.788  77.470  18.507  1.00 17.35     0.180 C 
-ATOM   5219  C   ILE C 117      91.291  77.710  18.383  1.00 17.30     0.241 C 
-ATOM   5220  O   ILE C 117      92.089  77.114  19.102  1.00 17.15    -0.271 OA
-ATOM   5221  CB  ILE C 117      89.199  78.196  19.716  1.00 17.76     0.013 C 
-ATOM   5222  CG1 ILE C 117      87.677  78.171  19.614  1.00 19.57     0.002 C 
-ATOM   5223  CG2 ILE C 117      89.755  79.671  19.807  1.00 17.26     0.012 C 
-ATOM   5224  CD1 ILE C 117      86.919  78.933  20.712  1.00 20.42     0.005 C 
-ATOM   5225  N   ARG C 118      91.668  78.547  17.433  1.00 17.17    -0.346 N 
-ATOM   5226  HN  ARG C 118      90.997  78.814  16.713  1.00  0.00     0.163 HD
-ATOM   5227  CA  ARG C 118      93.021  79.102  17.384  1.00 17.62     0.176 C 
-ATOM   5228  C   ARG C 118      92.997  80.566  17.881  1.00 17.37     0.241 C 
-ATOM   5229  O   ARG C 118      92.178  81.386  17.449  1.00 16.75    -0.271 OA
-ATOM   5230  CB  ARG C 118      93.590  79.046  15.979  1.00 17.78     0.036 C 
-ATOM   5231  CG  ARG C 118      95.061  79.416  15.952  1.00 19.59     0.023 C 
-ATOM   5232  CD  ARG C 118      95.663  79.499  14.565  1.00 23.25     0.138 C 
-ATOM   5233  NE  ARG C 118      97.075  79.856  14.664  1.00 26.48    -0.227 N 
-ATOM   5234  HE  ARG C 118      97.368  80.391  15.482  1.00  0.00     0.177 HD
-ATOM   5235  CZ  ARG C 118      98.010  79.539  13.772  1.00 28.10     0.665 C 
-ATOM   5236  NH1 ARG C 118      97.699  78.833  12.691  1.00 27.88    -0.235 N 
-ATOM   5237 1HH1 ARG C 118      98.416  78.590  12.007  1.00  0.00     0.174 HD
-ATOM   5238 2HH1 ARG C 118      96.734  78.540  12.538  1.00  0.00     0.174 HD
-ATOM   5239  NH2 ARG C 118      99.275  79.923  13.973  1.00 27.85    -0.235 N 
-ATOM   5240 1HH2 ARG C 118      99.992  79.680  13.289  1.00  0.00     0.174 HD
-ATOM   5241 2HH2 ARG C 118      99.514  80.465  14.803  1.00  0.00     0.174 HD
-ATOM   5242  N   GLN C 119      93.865  80.868  18.821  1.00 16.94    -0.346 N 
-ATOM   5243  HN  GLN C 119      94.557  80.176  19.109  1.00  0.00     0.163 HD
-ATOM   5244  CA  GLN C 119      93.852  82.176  19.456  1.00 16.24     0.177 C 
-ATOM   5245  C   GLN C 119      95.237  82.412  20.071  1.00 16.03     0.241 C 
-ATOM   5246  O   GLN C 119      95.949  81.450  20.440  1.00 15.66    -0.271 OA
-ATOM   5247  CB  GLN C 119      92.730  82.254  20.501  1.00 16.55     0.044 C 
-ATOM   5248  CG  GLN C 119      92.372  83.666  20.957  1.00 17.30     0.105 C 
-ATOM   5249  CD  GLN C 119      91.075  83.724  21.747  1.00 18.17     0.215 C 
-ATOM   5250  NE2 GLN C 119      90.408  84.862  21.683  1.00 17.79    -0.370 N 
-ATOM   5251 1HE2 GLN C 119      90.747  85.672  21.163  1.00  0.00     0.159 HD
-ATOM   5252 2HE2 GLN C 119      89.538  84.901  22.213  1.00  0.00     0.159 HD
-ATOM   5253  OE1 GLN C 119      90.661  82.734  22.383  1.00 20.22    -0.274 OA
-ATOM   5254  N   ARG C 120      95.609  83.687  20.170  1.00 13.89    -0.346 N 
-ATOM   5255  HN  ARG C 120      94.939  84.397  19.873  1.00  0.00     0.163 HD
-ATOM   5256  CA  ARG C 120      96.883  84.141  20.663  1.00 13.28     0.176 C 
-ATOM   5257  C   ARG C 120      96.635  84.841  22.010  1.00 12.12     0.241 C 
-ATOM   5258  O   ARG C 120      95.641  85.534  22.173  1.00 11.64    -0.271 OA
-ATOM   5259  CB  ARG C 120      97.495  85.151  19.664  1.00 14.20     0.036 C 
-ATOM   5260  CG  ARG C 120      98.180  84.539  18.419  1.00 18.80     0.023 C 
-ATOM   5261  CD  ARG C 120      98.668  85.585  17.375  1.00 27.85     0.138 C 
-ATOM   5262  NE  ARG C 120      97.753  85.656  16.224  1.00 36.06    -0.227 N 
-ATOM   5263  HE  ARG C 120      97.361  84.778  15.882  1.00  0.00     0.177 HD
-ATOM   5264  CZ  ARG C 120      97.394  86.776  15.591  1.00 39.17     0.665 C 
-ATOM   5265  NH1 ARG C 120      97.885  87.967  15.966  1.00 39.02    -0.235 N 
-ATOM   5266 1HH1 ARG C 120      98.535  88.025  16.750  1.00  0.00     0.174 HD
-ATOM   5267 2HH1 ARG C 120      97.611  88.822  15.483  1.00  0.00     0.174 HD
-ATOM   5268  NH2 ARG C 120      96.543  86.700  14.566  1.00 41.03    -0.235 N 
-ATOM   5269 1HH2 ARG C 120      96.170  85.795  14.281  1.00  0.00     0.174 HD
-ATOM   5270 2HH2 ARG C 120      96.269  87.555  14.083  1.00  0.00     0.174 HD
-ATOM   5271  N   PHE C 121      97.548  84.684  22.952  1.00 11.35    -0.346 N 
-ATOM   5272  HN  PHE C 121      98.440  84.253  22.708  1.00  0.00     0.163 HD
-ATOM   5273  CA  PHE C 121      97.326  85.100  24.305  1.00 12.75     0.180 C 
-ATOM   5274  C   PHE C 121      98.589  85.812  24.765  1.00 14.60     0.241 C 
-ATOM   5275  O   PHE C 121      99.691  85.470  24.312  1.00 14.92    -0.271 OA
-ATOM   5276  CB  PHE C 121      97.035  83.908  25.236  1.00 12.01     0.073 C 
-ATOM   5277  CG  PHE C 121      95.753  83.180  24.909  1.00 11.58    -0.056 A 
-ATOM   5278  CD1 PHE C 121      94.532  83.658  25.356  1.00  6.44     0.007 A 
-ATOM   5279  CD2 PHE C 121      95.769  82.031  24.122  1.00  9.44     0.007 A 
-ATOM   5280  CE1 PHE C 121      93.377  83.030  25.040  1.00  7.22     0.001 A 
-ATOM   5281  CE2 PHE C 121      94.594  81.353  23.841  1.00 11.16     0.001 A 
-ATOM   5282  CZ  PHE C 121      93.388  81.866  24.272  1.00 11.16     0.000 A 
-ATOM   5283  N   SER C 122      98.397  86.789  25.653  1.00 15.03    -0.344 N 
-ATOM   5284  HN  SER C 122      97.443  87.111  25.815  1.00  0.00     0.163 HD
-ATOM   5285  CA  SER C 122      99.460  87.413  26.394  1.00 15.94     0.200 C 
-ATOM   5286  C   SER C 122      99.589  86.677  27.728  1.00 16.58     0.243 C 
-ATOM   5287  O   SER C 122      98.627  86.608  28.501  1.00 15.84    -0.271 OA
-ATOM   5288  CB  SER C 122      99.115  88.885  26.634  1.00 15.58     0.199 C 
-ATOM   5289  OG  SER C 122      99.827  89.389  27.740  1.00 16.20    -0.398 OA
-ATOM   5290  HG  SER C 122      99.613  90.302  27.889  1.00  0.00     0.209 HD
-ATOM   5291  N   CYS C 123     100.760  86.104  27.981  1.00 17.41    -0.345 N 
-ATOM   5292  HN  CYS C 123     101.508  86.171  27.291  1.00  0.00     0.163 HD
-ATOM   5293  CA  CYS C 123     101.000  85.377  29.231  1.00 19.60     0.186 C 
-ATOM   5294  C   CYS C 123     102.478  85.128  29.484  1.00 19.29     0.242 C 
-ATOM   5295  O   CYS C 123     103.333  85.517  28.689  1.00 19.13    -0.271 OA
-ATOM   5296  CB  CYS C 123     100.240  84.052  29.240  1.00 20.51     0.120 C 
-ATOM   5297  SG  CYS C 123     100.595  82.989  27.855  1.00 25.74    -0.095 SA
-ATOM   5298  N   ASP C 124     102.775  84.484  30.600  1.00 19.47    -0.345 N 
-ATOM   5299  HN  ASP C 124     102.019  84.131  31.186  1.00  0.00     0.163 HD
-ATOM   5300  CA  ASP C 124     104.160  84.265  31.016  1.00 19.38     0.186 C 
-ATOM   5301  C   ASP C 124     104.807  83.167  30.219  1.00 19.17     0.241 C 
-ATOM   5302  O   ASP C 124     104.526  81.998  30.444  1.00 19.30    -0.271 OA
-ATOM   5303  CB  ASP C 124     104.188  83.900  32.490  1.00 19.31     0.147 C 
-ATOM   5304  CG  ASP C 124     105.556  84.068  33.113  1.00 20.00     0.175 C 
-ATOM   5305  OD1 ASP C 124     106.546  84.404  32.434  1.00 19.43    -0.648 OA
-ATOM   5306  OD2 ASP C 124     105.721  83.882  34.321  1.00 21.32    -0.648 OA
-ATOM   5307  N   VAL C 125     105.687  83.547  29.300  1.00 19.12    -0.346 N 
-ATOM   5308  HN  VAL C 125     105.874  84.542  29.177  1.00  0.00     0.163 HD
-ATOM   5309  CA  VAL C 125     106.400  82.580  28.454  1.00 18.79     0.180 C 
-ATOM   5310  C   VAL C 125     107.803  82.281  28.999  1.00 18.58     0.241 C 
-ATOM   5311  O   VAL C 125     108.514  81.421  28.465  1.00 18.60    -0.271 OA
-ATOM   5312  CB  VAL C 125     106.423  83.030  26.971  1.00 18.93     0.009 C 
-ATOM   5313  CG1 VAL C 125     107.188  82.068  26.113  1.00 18.83     0.012 C 
-ATOM   5314  CG2 VAL C 125     105.005  83.141  26.434  1.00 18.31     0.012 C 
-ATOM   5315  N   SER C 126     108.193  82.953  30.084  1.00 18.18    -0.344 N 
-ATOM   5316  HN  SER C 126     107.558  83.618  30.525  1.00  0.00     0.163 HD
-ATOM   5317  CA  SER C 126     109.531  82.739  30.644  1.00 18.31     0.200 C 
-ATOM   5318  C   SER C 126     109.723  81.284  31.099  1.00 18.01     0.242 C 
-ATOM   5319  O   SER C 126     108.810  80.672  31.660  1.00 17.69    -0.271 OA
-ATOM   5320  CB  SER C 126     109.827  83.722  31.793  1.00 18.05     0.199 C 
-ATOM   5321  OG  SER C 126     108.983  83.472  32.894  1.00 18.44    -0.398 OA
-ATOM   5322  HG  SER C 126     109.166  84.078  33.602  1.00  0.00     0.209 HD
-ATOM   5323  N   GLY C 127     110.916  80.748  30.855  1.00 17.79    -0.350 N 
-ATOM   5324  HN  GLY C 127     111.635  81.319  30.412  1.00  0.00     0.163 HD
-ATOM   5325  CA  GLY C 127     111.222  79.374  31.202  1.00 17.44     0.225 C 
-ATOM   5326  C   GLY C 127     110.784  78.312  30.204  1.00 17.19     0.236 C 
-ATOM   5327  O   GLY C 127     111.012  77.129  30.450  1.00 17.27    -0.272 OA
-ATOM   5328  N   VAL C 128     110.192  78.713  29.079  1.00 16.76    -0.346 N 
-ATOM   5329  HN  VAL C 128     110.058  79.711  28.916  1.00  0.00     0.163 HD
-ATOM   5330  CA  VAL C 128     109.733  77.763  28.079  1.00 16.83     0.180 C 
-ATOM   5331  C   VAL C 128     110.842  76.770  27.646  1.00 17.08     0.241 C 
-ATOM   5332  O   VAL C 128     110.544  75.641  27.223  1.00 16.77    -0.271 OA
-ATOM   5333  CB  VAL C 128     109.053  78.467  26.870  1.00 16.66     0.009 C 
-ATOM   5334  CG1 VAL C 128     110.034  79.209  26.024  1.00 16.75     0.012 C 
-ATOM   5335  CG2 VAL C 128     108.313  77.479  26.026  1.00 16.93     0.012 C 
-ATOM   5336  N   ASP C 129     112.095  77.206  27.820  1.00 17.41    -0.345 N 
-ATOM   5337  HN  ASP C 129     112.213  78.110  28.277  1.00  0.00     0.163 HD
-ATOM   5338  CA  ASP C 129     113.316  76.498  27.412  1.00 18.42     0.186 C 
-ATOM   5339  C   ASP C 129     114.077  75.781  28.540  1.00 18.46     0.241 C 
-ATOM   5340  O   ASP C 129     115.093  75.127  28.283  1.00 18.98    -0.271 OA
-ATOM   5341  CB  ASP C 129     114.285  77.494  26.764  1.00 19.05     0.147 C 
-ATOM   5342  CG  ASP C 129     114.258  77.451  25.236  1.00 21.96     0.175 C 
-ATOM   5343  OD1 ASP C 129     114.827  76.477  24.656  1.00 26.96    -0.648 OA
-ATOM   5344  OD2 ASP C 129     113.729  78.356  24.535  1.00 20.48    -0.648 OA
-ATOM   5345  N   THR C 130     113.637  75.951  29.785  1.00 18.49    -0.344 N 
-ATOM   5346  HN  THR C 130     112.917  76.651  29.962  1.00  0.00     0.163 HD
-ATOM   5347  CA  THR C 130     114.155  75.163  30.915  1.00 18.35     0.205 C 
-ATOM   5348  C   THR C 130     113.318  73.894  31.035  1.00 18.21     0.243 C 
-ATOM   5349  O   THR C 130     112.309  73.752  30.350  1.00 17.90    -0.271 OA
-ATOM   5350  CB  THR C 130     114.170  75.964  32.286  1.00 18.50     0.146 C 
-ATOM   5351  CG2 THR C 130     114.590  77.442  32.098  1.00 18.33     0.042 C 
-ATOM   5352  OG1 THR C 130     112.848  76.027  32.855  1.00 17.86    -0.393 OA
-ATOM   5353  HG1 THR C 130     112.857  76.506  33.675  1.00  0.00     0.210 HD
-ATOM   5354  N   GLU C 131     113.735  72.985  31.909  1.00 18.44    -0.346 N 
-ATOM   5355  HN  GLU C 131     114.568  73.180  32.465  1.00  0.00     0.163 HD
-ATOM   5356  CA  GLU C 131     113.040  71.718  32.099  1.00 18.49     0.177 C 
-ATOM   5357  C   GLU C 131     111.728  71.889  32.853  1.00 18.33     0.241 C 
-ATOM   5358  O   GLU C 131     110.770  71.165  32.585  1.00 17.96    -0.271 OA
-ATOM   5359  CB  GLU C 131     113.944  70.687  32.797  1.00 18.65     0.045 C 
-ATOM   5360  CG  GLU C 131     113.322  69.299  32.905  1.00 19.52     0.116 C 
-ATOM   5361  CD  GLU C 131     114.343  68.180  33.044  1.00 23.25     0.172 C 
-ATOM   5362  OE1 GLU C 131     115.308  68.321  33.843  1.00 22.56    -0.648 OA
-ATOM   5363  OE2 GLU C 131     114.169  67.140  32.363  1.00 25.11    -0.648 OA
-ATOM   5364  N   SER C 132     111.670  72.847  33.783  1.00 18.29    -0.344 N 
-ATOM   5365  HN  SER C 132     112.503  73.392  34.006  1.00  0.00     0.163 HD
-ATOM   5366  CA  SER C 132     110.413  73.115  34.481  1.00 18.78     0.200 C 
-ATOM   5367  C   SER C 132     109.390  73.824  33.594  1.00 18.58     0.242 C 
-ATOM   5368  O   SER C 132     108.201  73.857  33.923  1.00 18.80    -0.271 OA
-ATOM   5369  CB  SER C 132     110.629  73.877  35.790  1.00 19.30     0.199 C 
-ATOM   5370  OG  SER C 132     111.513  74.963  35.623  1.00 21.20    -0.398 OA
-ATOM   5371  HG  SER C 132     111.647  75.436  36.436  1.00  0.00     0.209 HD
-ATOM   5372  N   GLY C 133     109.850  74.369  32.471  1.00 18.32    -0.350 N 
-ATOM   5373  HN  GLY C 133     110.856  74.381  32.304  1.00  0.00     0.163 HD
-ATOM   5374  CA  GLY C 133     108.966  74.946  31.477  1.00 17.91     0.225 C 
-ATOM   5375  C   GLY C 133     108.342  76.273  31.852  1.00 18.14     0.236 C 
-ATOM   5376  O   GLY C 133     108.606  76.828  32.936  1.00 17.15    -0.272 OA
-ATOM   5377  N   ALA C 134     107.516  76.786  30.940  1.00 18.09    -0.347 N 
-ATOM   5378  HN  ALA C 134     107.406  76.307  30.046  1.00  0.00     0.163 HD
-ATOM   5379  CA  ALA C 134     106.771  78.002  31.182  1.00 18.58     0.172 C 
-ATOM   5380  C   ALA C 134     105.385  77.632  31.707  1.00 19.19     0.240 C 
-ATOM   5381  O   ALA C 134     104.892  76.530  31.453  1.00 19.07    -0.271 OA
-ATOM   5382  CB  ALA C 134     106.669  78.813  29.891  1.00 18.33     0.042 C 
-ATOM   5383  N   THR C 135     104.760  78.547  32.436  1.00 19.92    -0.344 N 
-ATOM   5384  HN  THR C 135     105.272  79.366  32.764  1.00  0.00     0.163 HD
-ATOM   5385  CA  THR C 135     103.340  78.396  32.777  1.00 20.77     0.205 C 
-ATOM   5386  C   THR C 135     102.523  79.566  32.243  1.00 21.31     0.243 C 
-ATOM   5387  O   THR C 135     102.612  80.671  32.794  1.00 21.17    -0.271 OA
-ATOM   5388  CB  THR C 135     103.145  78.258  34.301  1.00 20.75     0.146 C 
-ATOM   5389  CG2 THR C 135     101.692  77.863  34.615  1.00 20.14     0.042 C 
-ATOM   5390  OG1 THR C 135     103.904  77.139  34.778  1.00 21.30    -0.393 OA
-ATOM   5391  HG1 THR C 135     104.801  77.383  34.584  1.00  0.00     0.210 HD
-ATOM   5392  N   CYS C 136     101.737  79.297  31.190  1.00 21.46    -0.345 N 
-ATOM   5393  HN  CYS C 136     101.761  78.359  30.790  1.00  0.00     0.163 HD
-ATOM   5394  CA  CYS C 136     100.851  80.285  30.593  1.00 22.68     0.186 C 
-ATOM   5395  C   CYS C 136      99.448  80.177  31.187  1.00 22.27     0.241 C 
-ATOM   5396  O   CYS C 136      98.819  79.124  31.128  1.00 22.31    -0.271 OA
-ATOM   5397  CB  CYS C 136     100.777  80.101  29.072  1.00 22.71     0.120 C 
-ATOM   5398  SG  CYS C 136      99.582  81.205  28.229  1.00 28.61    -0.095 SA
-ATOM   5399  N   ARG C 137      98.944  81.284  31.715  1.00 21.81    -0.346 N 
-ATOM   5400  HN  ARG C 137      99.497  82.141  31.700  1.00  0.00     0.163 HD
-ATOM   5401  CA  ARG C 137      97.620  81.302  32.315  1.00 21.36     0.176 C 
-ATOM   5402  C   ARG C 137      96.556  81.919  31.414  1.00 20.34     0.241 C 
-ATOM   5403  O   ARG C 137      96.709  83.056  30.975  1.00 19.85    -0.271 OA
-ATOM   5404  CB  ARG C 137      97.695  82.077  33.621  1.00 21.82     0.036 C 
-ATOM   5405  CG  ARG C 137      96.923  81.445  34.730  1.00 25.26     0.023 C 
-ATOM   5406  CD  ARG C 137      97.062  82.133  36.081  1.00 30.22     0.138 C 
-ATOM   5407  NE  ARG C 137      98.334  82.840  36.224  1.00 33.08    -0.227 N 
-ATOM   5408  HE  ARG C 137      98.400  83.785  35.845  1.00  0.00     0.177 HD
-ATOM   5409  CZ  ARG C 137      99.405  82.333  36.814  1.00 35.41     0.665 C 
-ATOM   5410  NH1 ARG C 137      99.367  81.096  37.317  1.00 35.51    -0.235 N 
-ATOM   5411 1HH1 ARG C 137     100.192  80.705  37.772  1.00  0.00     0.174 HD
-ATOM   5412 2HH1 ARG C 137      98.510  80.547  37.247  1.00  0.00     0.174 HD
-ATOM   5413  NH2 ARG C 137     100.523  83.049  36.905  1.00 35.71    -0.235 N 
-ATOM   5414 1HH2 ARG C 137     101.348  82.658  37.360  1.00  0.00     0.174 HD
-ATOM   5415 2HH2 ARG C 137     100.552  83.993  36.521  1.00  0.00     0.174 HD
-ATOM   5416  N   ILE C 138      95.483  81.179  31.148  1.00 19.15    -0.346 N 
-ATOM   5417  HN  ILE C 138      95.418  80.236  31.532  1.00  0.00     0.163 HD
-ATOM   5418  CA  ILE C 138      94.397  81.691  30.317  1.00 18.50     0.180 C 
-ATOM   5419  C   ILE C 138      93.127  81.863  31.181  1.00 18.17     0.241 C 
-ATOM   5420  O   ILE C 138      92.642  80.922  31.803  1.00 17.79    -0.271 OA
-ATOM   5421  CB  ILE C 138      94.145  80.759  29.110  1.00 18.26     0.013 C 
-ATOM   5422  CG1 ILE C 138      95.354  80.749  28.184  1.00 17.91     0.002 C 
-ATOM   5423  CG2 ILE C 138      92.902  81.161  28.373  1.00 18.19     0.012 C 
-ATOM   5424  CD1 ILE C 138      95.358  79.616  27.141  1.00 19.34     0.005 C 
-ATOM   5425  N   LYS C 139      92.605  83.085  31.219  1.00 17.40    -0.346 N 
-ATOM   5426  HN  LYS C 139      93.026  83.820  30.650  1.00  0.00     0.163 HD
-ATOM   5427  CA  LYS C 139      91.458  83.406  32.043  1.00 16.88     0.176 C 
-ATOM   5428  C   LYS C 139      90.190  83.516  31.191  1.00 16.69     0.241 C 
-ATOM   5429  O   LYS C 139      90.134  84.307  30.244  1.00 16.39    -0.271 OA
-ATOM   5430  CB  LYS C 139      91.737  84.708  32.796  1.00 16.88     0.035 C 
-ATOM   5431  CG  LYS C 139      90.536  85.335  33.499  1.00 16.95     0.004 C 
-ATOM   5432  CD  LYS C 139      90.995  86.565  34.302  1.00 18.63     0.027 C 
-ATOM   5433  CE  LYS C 139      89.766  87.372  34.774  1.00 19.20     0.229 C 
-ATOM   5434  NZ  LYS C 139      90.138  88.705  35.301  1.00 20.90    -0.079 N 
-ATOM   5435  HZ1 LYS C 139      89.326  89.238  35.613  1.00  0.00     0.274 HD
-ATOM   5436  HZ2 LYS C 139      90.685  89.231  34.619  1.00  0.00     0.274 HD
-ATOM   5437  HZ3 LYS C 139      90.834  88.627  36.042  1.00  0.00     0.274 HD
-ATOM   5438  N   ILE C 140      89.173  82.722  31.533  1.00 16.38    -0.346 N 
-ATOM   5439  HN  ILE C 140      89.243  82.143  32.370  1.00  0.00     0.163 HD
-ATOM   5440  CA  ILE C 140      87.957  82.675  30.717  1.00 16.33     0.180 C 
-ATOM   5441  C   ILE C 140      86.720  82.845  31.568  1.00 15.82     0.241 C 
-ATOM   5442  O   ILE C 140      86.573  82.183  32.605  1.00 15.41    -0.271 OA
-ATOM   5443  CB  ILE C 140      87.877  81.354  29.901  1.00 17.27     0.013 C 
-ATOM   5444  CG1 ILE C 140      88.988  81.340  28.844  1.00 19.10     0.002 C 
-ATOM   5445  CG2 ILE C 140      86.502  81.218  29.168  1.00 16.44     0.012 C 
-ATOM   5446  CD1 ILE C 140      89.045  80.085  28.038  1.00 23.34     0.005 C 
-ATOM   5447  N   GLY C 141      85.821  83.724  31.144  1.00 14.50    -0.351 N 
-ATOM   5448  HN  GLY C 141      85.998  84.278  30.306  1.00  0.00     0.163 HD
-ATOM   5449  CA  GLY C 141      84.585  83.890  31.884  1.00 14.26     0.225 C 
-ATOM   5450  C   GLY C 141      83.564  84.597  31.016  1.00 14.31     0.236 C 
-ATOM   5451  O   GLY C 141      83.897  85.059  29.924  1.00 14.36    -0.272 OA
-ATOM   5452  N   SER C 142      82.340  84.685  31.511  1.00 13.53    -0.344 N 
-ATOM   5453  HN  SER C 142      82.121  84.197  32.379  1.00  0.00     0.163 HD
-ATOM   5454  CA  SER C 142      81.300  85.456  30.855  1.00 13.47     0.200 C 
-ATOM   5455  C   SER C 142      81.717  86.933  30.790  1.00 12.81     0.243 C 
-ATOM   5456  O   SER C 142      82.155  87.527  31.797  1.00 12.99    -0.271 OA
-ATOM   5457  CB  SER C 142      79.993  85.395  31.617  1.00 13.15     0.199 C 
-ATOM   5458  OG  SER C 142      79.047  86.230  30.965  1.00 13.70    -0.398 OA
-ATOM   5459  HG  SER C 142      78.227  86.192  31.443  1.00  0.00     0.209 HD
-ATOM   5460  N   TRP C 143      81.545  87.510  29.619  1.00 11.81    -0.346 N 
-ATOM   5461  HN  TRP C 143      81.154  86.975  28.844  1.00  0.00     0.163 HD
-ATOM   5462  CA  TRP C 143      81.908  88.906  29.422  1.00 11.77     0.181 C 
-ATOM   5463  C   TRP C 143      80.936  89.863  30.100  1.00 11.40     0.241 C 
-ATOM   5464  O   TRP C 143      81.383  90.888  30.606  1.00 12.00    -0.271 OA
-ATOM   5465  CB  TRP C 143      82.055  89.238  27.914  1.00 11.62     0.075 C 
-ATOM   5466  CG  TRP C 143      82.762  90.593  27.701  1.00 11.78    -0.028 A 
-ATOM   5467  CD1 TRP C 143      82.221  91.745  27.199  1.00 12.04     0.096 A 
-ATOM   5468  CD2 TRP C 143      84.112  90.907  28.066  1.00 11.17    -0.002 A 
-ATOM   5469  CE2 TRP C 143      84.338  92.264  27.725  1.00 10.89     0.042 A 
-ATOM   5470  CE3 TRP C 143      85.177  90.155  28.607  1.00 11.08     0.014 A 
-ATOM   5471  NE1 TRP C 143      83.165  92.758  27.210  1.00 11.41    -0.365 N 
-ATOM   5472  HE1 TRP C 143      83.014  93.714  26.888  1.00  0.00     0.165 HD
-ATOM   5473  CZ2 TRP C 143      85.573  92.895  27.916  1.00 12.51     0.030 A 
-ATOM   5474  CZ3 TRP C 143      86.399  90.762  28.800  1.00 12.10     0.001 A 
-ATOM   5475  CH2 TRP C 143      86.593  92.148  28.465  1.00 12.59     0.002 A 
-ATOM   5476  N   THR C 144      79.621  89.547  30.087  1.00 10.95    -0.344 N 
-ATOM   5477  HN  THR C 144      79.344  88.627  29.744  1.00  0.00     0.163 HD
-ATOM   5478  CA  THR C 144      78.580  90.466  30.543  1.00 10.65     0.205 C 
-ATOM   5479  C   THR C 144      77.629  89.946  31.617  1.00 10.85     0.243 C 
-ATOM   5480  O   THR C 144      76.791  90.726  32.089  1.00 10.19    -0.271 OA
-ATOM   5481  CB  THR C 144      77.697  91.008  29.377  1.00 10.75     0.146 C 
-ATOM   5482  CG2 THR C 144      78.540  91.371  28.195  1.00 10.69     0.042 C 
-ATOM   5483  OG1 THR C 144      76.865  89.937  28.902  1.00 10.31    -0.393 OA
-ATOM   5484  HG1 THR C 144      76.327  90.267  28.192  1.00  0.00     0.210 HD
-ATOM   5485  N   HIS C 145      77.727  88.659  31.970  1.00 10.61    -0.346 N 
-ATOM   5486  HN  HIS C 145      78.426  88.070  31.518  1.00  0.00     0.163 HD
-ATOM   5487  CA  HIS C 145      76.846  88.073  33.000  1.00 10.52     0.182 C 
-ATOM   5488  C   HIS C 145      77.614  87.834  34.286  1.00 10.62     0.241 C 
-ATOM   5489  O   HIS C 145      78.616  87.117  34.277  1.00 10.62    -0.271 OA
-ATOM   5490  CB  HIS C 145      76.255  86.737  32.497  1.00 10.42     0.093 C 
-ATOM   5491  CG  HIS C 145      75.207  86.917  31.461  1.00 10.19     0.028 A 
-ATOM   5492  CD2 HIS C 145      73.936  87.301  31.540  1.00  7.85     0.114 A 
-ATOM   5493  ND1 HIS C 145      75.415  86.742  30.140  1.00  9.49    -0.354 N 
-ATOM   5494  HD1 HIS C 145      76.296  86.432  29.731  1.00  0.00     0.166 HD
-ATOM   5495  CE1 HIS C 145      74.328  87.025  29.445  1.00 10.11     0.180 A 
-ATOM   5496  NE2 HIS C 145      73.408  87.362  30.279  1.00  9.53    -0.360 N 
-ATOM   5497  HE2 HIS C 145      72.452  87.628  30.042  1.00  0.00     0.166 HD
-ATOM   5498  N   HIS C 146      77.163  88.460  35.366  1.00 10.00    -0.346 N 
-ATOM   5499  HN  HIS C 146      76.350  89.069  35.274  1.00  0.00     0.163 HD
-ATOM   5500  CA  HIS C 146      77.769  88.316  36.655  1.00 10.66     0.182 C 
-ATOM   5501  C   HIS C 146      77.399  86.998  37.339  1.00 11.05     0.241 C 
-ATOM   5502  O   HIS C 146      76.694  86.163  36.754  1.00 10.93    -0.271 OA
-ATOM   5503  CB  HIS C 146      77.443  89.539  37.551  1.00 10.65     0.093 C 
-ATOM   5504  CG  HIS C 146      75.978  89.785  37.752  1.00 11.79     0.028 A 
-ATOM   5505  CD2 HIS C 146      75.171  90.764  37.307  1.00 12.10     0.114 A 
-ATOM   5506  ND1 HIS C 146      75.191  89.037  38.574  1.00 12.66    -0.354 N 
-ATOM   5507  HD1 HIS C 146      75.514  88.233  39.112  1.00  0.00     0.166 HD
-ATOM   5508  CE1 HIS C 146      73.954  89.494  38.579  1.00 12.42     0.180 A 
-ATOM   5509  NE2 HIS C 146      73.917  90.555  37.822  1.00 11.89    -0.360 N 
-ATOM   5510  HE2 HIS C 146      73.095  91.132  37.643  1.00  0.00     0.166 HD
-ATOM   5511  N   SER C 147      77.875  86.824  38.579  1.00 11.22    -0.344 N 
-ATOM   5512  HN  SER C 147      78.297  87.619  39.058  1.00  0.00     0.163 HD
-ATOM   5513  CA  SER C 147      77.813  85.539  39.272  1.00 11.48     0.200 C 
-ATOM   5514  C   SER C 147      76.409  85.035  39.576  1.00 11.63     0.243 C 
-ATOM   5515  O   SER C 147      76.217  83.842  39.785  1.00 12.36    -0.271 OA
-ATOM   5516  CB  SER C 147      78.665  85.526  40.531  1.00 11.05     0.199 C 
-ATOM   5517  OG  SER C 147      78.151  86.434  41.528  1.00 12.05    -0.398 OA
-ATOM   5518  HG  SER C 147      78.683  86.426  42.315  1.00  0.00     0.209 HD
-ATOM   5519  N   ARG C 148      75.412  85.912  39.583  1.00 12.25    -0.346 N 
-ATOM   5520  HN  ARG C 148      75.599  86.903  39.428  1.00  0.00     0.163 HD
-ATOM   5521  CA  ARG C 148      74.033  85.445  39.816  1.00 12.25     0.176 C 
-ATOM   5522  C   ARG C 148      73.352  84.996  38.518  1.00 12.08     0.241 C 
-ATOM   5523  O   ARG C 148      72.229  84.504  38.517  1.00 11.91    -0.271 OA
-ATOM   5524  CB  ARG C 148      73.231  86.496  40.537  1.00 12.61     0.036 C 
-ATOM   5525  CG  ARG C 148      73.807  86.830  41.920  1.00 14.34     0.023 C 
-ATOM   5526  CD  ARG C 148      73.016  87.819  42.676  1.00 19.19     0.138 C 
-ATOM   5527  NE  ARG C 148      72.909  89.120  42.001  1.00 22.01    -0.227 N 
-ATOM   5528  HE  ARG C 148      73.752  89.689  41.925  1.00  0.00     0.177 HD
-ATOM   5529  CZ  ARG C 148      71.768  89.610  41.476  1.00 24.31     0.665 C 
-ATOM   5530  NH1 ARG C 148      70.630  88.902  41.533  1.00 22.72    -0.235 N 
-ATOM   5531 1HH1 ARG C 148      70.628  87.981  41.971  1.00  0.00     0.174 HD
-ATOM   5532 2HH1 ARG C 148      69.767  89.273  41.136  1.00  0.00     0.174 HD
-ATOM   5533  NH2 ARG C 148      71.770  90.814  40.903  1.00 23.79    -0.235 N 
-ATOM   5534 1HH2 ARG C 148      72.635  91.352  40.860  1.00  0.00     0.174 HD
-ATOM   5535 2HH2 ARG C 148      70.907  91.185  40.506  1.00  0.00     0.174 HD
-ATOM   5536  N   GLU C 149      74.066  85.140  37.412  1.00 11.96    -0.346 N 
-ATOM   5537  HN  GLU C 149      75.026  85.477  37.482  1.00  0.00     0.163 HD
-ATOM   5538  CA  GLU C 149      73.526  84.834  36.113  1.00 12.00     0.177 C 
-ATOM   5539  C   GLU C 149      74.294  83.712  35.475  1.00 12.08     0.241 C 
-ATOM   5540  O   GLU C 149      73.708  82.808  34.902  1.00 12.10    -0.271 OA
-ATOM   5541  CB  GLU C 149      73.512  86.092  35.243  1.00 11.93     0.045 C 
-ATOM   5542  CG  GLU C 149      72.452  87.108  35.701  1.00 13.26     0.116 C 
-ATOM   5543  CD  GLU C 149      72.436  88.380  34.859  1.00 16.29     0.172 C 
-ATOM   5544  OE1 GLU C 149      73.150  88.466  33.850  1.00 17.02    -0.648 OA
-ATOM   5545  OE2 GLU C 149      71.675  89.287  35.188  1.00 17.55    -0.648 OA
-ATOM   5546  N   ILE C 150      75.613  83.755  35.556  1.00 12.34    -0.346 N 
-ATOM   5547  HN  ILE C 150      76.064  84.556  35.997  1.00  0.00     0.163 HD
-ATOM   5548  CA  ILE C 150      76.434  82.668  35.021  1.00 12.82     0.180 C 
-ATOM   5549  C   ILE C 150      77.522  82.316  36.031  1.00 14.20     0.241 C 
-ATOM   5550  O   ILE C 150      78.287  83.199  36.463  1.00 14.61    -0.271 OA
-ATOM   5551  CB  ILE C 150      77.097  83.075  33.694  1.00 12.79     0.013 C 
-ATOM   5552  CG1 ILE C 150      76.073  83.158  32.556  1.00 12.06     0.002 C 
-ATOM   5553  CG2 ILE C 150      78.260  82.122  33.384  1.00 11.82     0.012 C 
-ATOM   5554  CD1 ILE C 150      76.661  83.278  31.129  1.00 10.89     0.005 C 
-ATOM   5555  N   SER C 151      77.588  81.049  36.427  1.00 15.10    -0.344 N 
-ATOM   5556  HN  SER C 151      76.808  80.422  36.230  1.00  0.00     0.163 HD
-ATOM   5557  CA  SER C 151      78.754  80.540  37.137  1.00 17.31     0.200 C 
-ATOM   5558  C   SER C 151      79.578  79.699  36.168  1.00 18.69     0.243 C 
-ATOM   5559  O   SER C 151      79.031  79.091  35.237  1.00 18.95    -0.271 OA
-ATOM   5560  CB  SER C 151      78.356  79.743  38.390  1.00 17.55     0.199 C 
-ATOM   5561  OG  SER C 151      77.571  78.622  38.031  1.00 19.32    -0.398 OA
-ATOM   5562  HG  SER C 151      77.325  78.130  38.805  1.00  0.00     0.209 HD
-ATOM   5563  N   VAL C 152      80.893  79.709  36.336  1.00 20.28    -0.346 N 
-ATOM   5564  HN  VAL C 152      81.298  80.270  37.086  1.00  0.00     0.163 HD
-ATOM   5565  CA  VAL C 152      81.766  78.938  35.474  1.00 22.37     0.180 C 
-ATOM   5566  C   VAL C 152      82.568  78.027  36.346  1.00 24.15     0.241 C 
-ATOM   5567  O   VAL C 152      83.040  78.411  37.415  1.00 24.10    -0.271 OA
-ATOM   5568  CB  VAL C 152      82.706  79.786  34.585  1.00 22.39     0.009 C 
-ATOM   5569  CG1 VAL C 152      81.932  80.401  33.451  1.00 22.63     0.012 C 
-ATOM   5570  CG2 VAL C 152      83.378  80.873  35.368  1.00 23.15     0.012 C 
-ATOM   5571  N   ASP C 153      82.734  76.812  35.860  1.00 25.56    -0.345 N 
-ATOM   5572  HN  ASP C 153      82.387  76.601  34.924  1.00  0.00     0.163 HD
-ATOM   5573  CA  ASP C 153      83.393  75.773  36.616  1.00 28.34     0.186 C 
-ATOM   5574  C   ASP C 153      84.220  74.929  35.657  1.00 28.53     0.243 C 
-ATOM   5575  O   ASP C 153      83.865  74.837  34.490  1.00 28.77    -0.271 OA
-ATOM   5576  CB  ASP C 153      82.333  74.905  37.302  1.00 28.37     0.147 C 
-ATOM   5577  CG  ASP C 153      82.159  75.267  38.742  1.00 33.20     0.175 C 
-ATOM   5578  OD1 ASP C 153      83.057  74.882  39.530  1.00 38.91    -0.648 OA
-ATOM   5579  OD2 ASP C 153      81.182  75.939  39.187  1.00 36.73    -0.648 OA
-ATOM   5580  N   PRO C 154      85.307  74.330  36.132  1.00 29.45    -0.337 N 
-ATOM   5581  CA  PRO C 154      86.032  73.335  35.327  1.00 30.79     0.179 C 
-ATOM   5582  C   PRO C 154      85.127  72.139  35.017  1.00 32.15     0.241 C 
-ATOM   5583  O   PRO C 154      84.375  71.723  35.893  1.00 31.22    -0.271 OA
-ATOM   5584  CB  PRO C 154      87.185  72.901  36.241  1.00 30.58     0.037 C 
-ATOM   5585  CG  PRO C 154      87.258  73.938  37.310  1.00 30.00     0.022 C 
-ATOM   5586  CD  PRO C 154      85.905  74.520  37.468  1.00 29.37     0.127 C 
-ATOM   5587  N   THR C 155      85.158  71.634  33.779  1.00 34.64    -0.344 N 
-ATOM   5588  HN  THR C 155      85.644  72.145  33.043  1.00  0.00     0.163 HD
-ATOM   5589  CA  THR C 155      84.502  70.351  33.457  1.00 37.50     0.205 C 
-ATOM   5590  C   THR C 155      84.927  69.285  34.509  1.00 38.99     0.243 C 
-ATOM   5591  O   THR C 155      86.108  69.172  34.838  1.00 39.13    -0.271 OA
-ATOM   5592  CB  THR C 155      84.871  69.910  32.016  1.00 37.17     0.146 C 
-ATOM   5593  CG2 THR C 155      84.468  68.463  31.746  1.00 36.82     0.042 C 
-ATOM   5594  OG1 THR C 155      84.101  70.656  31.051  1.00 38.02    -0.393 OA
-ATOM   5595  HG1 THR C 155      84.327  70.386  30.169  1.00  0.00     0.210 HD
-ATOM   5596  N   THR C 156      83.986  68.523  35.048  1.00 41.49    -0.344 N 
-ATOM   5597  HN  THR C 156      83.023  68.579  34.717  1.00  0.00     0.163 HD
-ATOM   5598  CA  THR C 156      84.352  67.590  36.136  1.00 44.34     0.205 C 
-ATOM   5599  C   THR C 156      85.323  66.464  35.758  1.00 46.13     0.243 C 
-ATOM   5600  O   THR C 156      86.379  66.333  36.411  1.00 46.88    -0.271 OA
-ATOM   5601  CB  THR C 156      83.128  66.991  36.854  1.00 44.18     0.146 C 
-ATOM   5602  CG2 THR C 156      82.446  68.035  37.763  1.00 44.21     0.042 C 
-ATOM   5603  OG1 THR C 156      82.142  66.602  35.889  1.00 45.05    -0.393 OA
-ATOM   5604  HG1 THR C 156      82.562  65.959  35.329  1.00  0.00     0.210 HD
-ATOM   5605  N   GLU C 157      84.968  65.666  34.735  1.00 47.89    -0.346 N 
-ATOM   5606  HN  GLU C 157      84.144  65.923  34.191  1.00  0.00     0.163 HD
-ATOM   5607  CA  GLU C 157      85.703  64.432  34.349  1.00 49.47     0.177 C 
-ATOM   5608  C   GLU C 157      87.245  64.544  34.489  1.00 50.30     0.241 C 
-ATOM   5609  O   GLU C 157      87.882  65.375  33.818  1.00 50.59    -0.271 OA
-ATOM   5610  CB  GLU C 157      85.270  63.927  32.940  1.00 49.62     0.045 C 
-ATOM   5611  CG  GLU C 157      85.854  64.682  31.733  1.00 50.57     0.116 C 
-ATOM   5612  CD  GLU C 157      84.897  64.844  30.536  1.00 52.20     0.172 C 
-ATOM   5613  OE1 GLU C 157      83.646  64.929  30.706  1.00 50.81    -0.648 OA
-ATOM   5614  OE2 GLU C 157      85.414  64.922  29.396  1.00 52.87    -0.648 OA
-ATOM   5615  N   ASN C 158      87.825  63.728  35.378  1.00 51.13    -0.346 N 
-ATOM   5616  HN  ASN C 158      87.249  63.033  35.853  1.00  0.00     0.163 HD
-ATOM   5617  CA  ASN C 158      89.262  63.793  35.698  1.00 51.71     0.185 C 
-ATOM   5618  C   ASN C 158      90.136  64.134  34.489  1.00 51.81     0.241 C 
-ATOM   5619  O   ASN C 158      90.349  63.309  33.598  1.00 51.78    -0.271 OA
-ATOM   5620  CB  ASN C 158      89.750  62.509  36.378  1.00 51.95     0.137 C 
-ATOM   5621  CG  ASN C 158      91.057  62.714  37.128  1.00 52.60     0.217 C 
-ATOM   5622  ND2 ASN C 158      90.989  63.436  38.243  1.00 53.60    -0.370 N 
-ATOM   5623 1HD2 ASN C 158      90.114  63.826  38.593  1.00  0.00     0.159 HD
-ATOM   5624 2HD2 ASN C 158      91.866  63.573  38.746  1.00  0.00     0.159 HD
-ATOM   5625  OD1 ASN C 158      92.115  62.243  36.705  1.00 52.64    -0.274 OA
-ATOM   5626  N   SER C 159      90.629  65.369  34.483  1.00 52.11    -0.344 N 
-ATOM   5627  HN  SER C 159      90.575  65.919  35.340  1.00  0.00     0.163 HD
-ATOM   5628  CA  SER C 159      91.245  65.975  33.304  1.00 52.27     0.200 C 
-ATOM   5629  C   SER C 159      92.677  65.479  33.026  1.00 52.37     0.243 C 
-ATOM   5630  O   SER C 159      93.586  65.647  33.864  1.00 52.61    -0.271 OA
-ATOM   5631  CB  SER C 159      91.177  67.505  33.424  1.00 52.72     0.199 C 
-ATOM   5632  OG  SER C 159      89.822  67.947  33.598  1.00 52.45    -0.398 OA
-ATOM   5633  HG  SER C 159      89.780  68.893  33.672  1.00  0.00     0.209 HD
-ATOM   5634  N   ASP C 160      92.858  64.836  31.865  1.00 51.62    -0.345 N 
-ATOM   5635  HN  ASP C 160      92.047  64.645  31.277  1.00  0.00     0.163 HD
-ATOM   5636  CA  ASP C 160      94.190  64.394  31.407  1.00 50.71     0.186 C 
-ATOM   5637  C   ASP C 160      94.759  65.478  30.496  1.00 49.53     0.241 C 
-ATOM   5638  O   ASP C 160      94.022  66.035  29.662  1.00 49.62    -0.271 OA
-ATOM   5639  CB  ASP C 160      94.155  63.050  30.658  1.00 50.97     0.147 C 
-ATOM   5640  CG  ASP C 160      92.783  62.364  30.704  1.00 52.10     0.175 C 
-ATOM   5641  OD1 ASP C 160      91.760  63.012  30.352  1.00 52.70    -0.648 OA
-ATOM   5642  OD2 ASP C 160      92.644  61.168  31.065  1.00 52.07    -0.648 OA
-ATOM   5643  N   ASP C 161      96.059  65.761  30.654  1.00 47.46    -0.345 N 
-ATOM   5644  HN  ASP C 161      96.634  65.120  31.201  1.00  0.00     0.163 HD
-ATOM   5645  CA  ASP C 161      96.695  66.956  30.073  1.00 45.25     0.186 C 
-ATOM   5646  C   ASP C 161      97.015  66.817  28.567  1.00 43.73     0.241 C 
-ATOM   5647  O   ASP C 161      96.371  67.445  27.717  1.00 42.50    -0.271 OA
-ATOM   5648  CB  ASP C 161      97.940  67.381  30.889  1.00 45.39     0.147 C 
-ATOM   5649  CG  ASP C 161      97.693  67.399  32.423  1.00 45.52     0.175 C 
-ATOM   5650  OD1 ASP C 161      96.625  67.884  32.866  1.00 44.33    -0.648 OA
-ATOM   5651  OD2 ASP C 161      98.520  66.945  33.261  1.00 45.23    -0.648 OA
-ATOM   5652  N   SER C 162      97.982  65.959  28.252  1.00 41.61    -0.344 N 
-ATOM   5653  HN  SER C 162      98.450  65.454  29.005  1.00  0.00     0.163 HD
-ATOM   5654  CA  SER C 162      98.406  65.706  26.867  1.00 39.64     0.200 C 
-ATOM   5655  C   SER C 162      97.382  64.970  25.964  1.00 38.33     0.243 C 
-ATOM   5656  O   SER C 162      97.668  64.719  24.790  1.00 38.60    -0.271 OA
-ATOM   5657  CB  SER C 162      99.752  64.949  26.875  1.00 39.50     0.199 C 
-ATOM   5658  OG  SER C 162     100.426  65.071  25.640  1.00 37.80    -0.398 OA
-ATOM   5659  HG  SER C 162     101.254  64.605  25.645  1.00  0.00     0.209 HD
-ATOM   5660  N   GLU C 163      96.202  64.646  26.493  1.00 36.06    -0.346 N 
-ATOM   5661  HN  GLU C 163      95.923  65.071  27.377  1.00  0.00     0.163 HD
-ATOM   5662  CA  GLU C 163      95.290  63.695  25.841  1.00 34.29     0.177 C 
-ATOM   5663  C   GLU C 163      95.314  63.685  24.321  1.00 31.94     0.241 C 
-ATOM   5664  O   GLU C 163      95.641  62.665  23.707  1.00 30.80    -0.271 OA
-ATOM   5665  CB  GLU C 163      93.840  63.875  26.322  1.00 35.40     0.045 C 
-ATOM   5666  CG  GLU C 163      93.316  62.676  27.101  1.00 38.22     0.116 C 
-ATOM   5667  CD  GLU C 163      92.384  61.771  26.295  1.00 42.75     0.172 C 
-ATOM   5668  OE1 GLU C 163      91.159  62.078  26.279  1.00 43.99    -0.648 OA
-ATOM   5669  OE2 GLU C 163      92.862  60.751  25.701  1.00 42.25    -0.648 OA
-ATOM   5670  N   TYR C 164      94.931  64.821  23.735  1.00 28.79    -0.346 N 
-ATOM   5671  HN  TYR C 164      94.696  65.621  24.322  1.00  0.00     0.163 HD
-ATOM   5672  CA  TYR C 164      94.837  64.960  22.297  1.00 26.61     0.180 C 
-ATOM   5673  C   TYR C 164      95.906  65.863  21.707  1.00 24.59     0.241 C 
-ATOM   5674  O   TYR C 164      95.877  66.111  20.503  1.00 23.85    -0.271 OA
-ATOM   5675  CB  TYR C 164      93.448  65.447  21.877  1.00 27.41     0.073 C 
-ATOM   5676  CG  TYR C 164      92.361  64.707  22.586  1.00 30.62    -0.056 A 
-ATOM   5677  CD1 TYR C 164      92.088  63.382  22.260  1.00 32.99     0.010 A 
-ATOM   5678  CD2 TYR C 164      91.638  65.307  23.621  1.00 31.60     0.010 A 
-ATOM   5679  CE1 TYR C 164      91.121  62.665  22.940  1.00 35.74     0.037 A 
-ATOM   5680  CE2 TYR C 164      90.662  64.606  24.302  1.00 32.61     0.037 A 
-ATOM   5681  CZ  TYR C 164      90.393  63.283  23.946  1.00 35.78     0.065 A 
-ATOM   5682  OH  TYR C 164      89.433  62.532  24.612  1.00 36.70    -0.361 OA
-ATOM   5683  HH  TYR C 164      89.250  61.632  24.370  1.00  0.00     0.217 HD
-ATOM   5684  N   PHE C 165      96.841  66.342  22.539  1.00 21.73    -0.346 N 
-ATOM   5685  HN  PHE C 165      96.813  66.066  23.521  1.00  0.00     0.163 HD
-ATOM   5686  CA  PHE C 165      97.903  67.249  22.090  1.00 19.81     0.180 C 
-ATOM   5687  C   PHE C 165      98.751  66.624  20.973  1.00 18.79     0.241 C 
-ATOM   5688  O   PHE C 165      99.104  65.446  21.037  1.00 18.40    -0.271 OA
-ATOM   5689  CB  PHE C 165      98.769  67.700  23.274  1.00 19.16     0.073 C 
-ATOM   5690  CG  PHE C 165      99.704  68.835  22.949  1.00 18.44    -0.056 A 
-ATOM   5691  CD1 PHE C 165      99.225  70.136  22.852  1.00 17.38     0.007 A 
-ATOM   5692  CD2 PHE C 165     101.060  68.612  22.733  1.00 16.99     0.007 A 
-ATOM   5693  CE1 PHE C 165     100.083  71.199  22.565  1.00 17.96     0.001 A 
-ATOM   5694  CE2 PHE C 165     101.907  69.667  22.452  1.00 17.12     0.001 A 
-ATOM   5695  CZ  PHE C 165     101.428  70.963  22.364  1.00 16.91     0.000 A 
-ATOM   5696  N   SER C 166      99.073  67.422  19.960  1.00 17.69    -0.344 N 
-ATOM   5697  HN  SER C 166      98.785  68.400  19.982  1.00  0.00     0.163 HD
-ATOM   5698  CA  SER C 166      99.835  66.921  18.811  1.00 17.37     0.200 C 
-ATOM   5699  C   SER C 166     101.234  66.368  19.180  1.00 16.63     0.243 C 
-ATOM   5700  O   SER C 166     102.004  67.024  19.860  1.00 15.33    -0.271 OA
-ATOM   5701  CB  SER C 166      99.964  68.013  17.745  1.00 17.01     0.199 C 
-ATOM   5702  OG  SER C 166     100.790  67.594  16.682  1.00 16.93    -0.398 OA
-ATOM   5703  HG  SER C 166     100.870  68.271  16.021  1.00  0.00     0.209 HD
-ATOM   5704  N   GLN C 167     101.541  65.167  18.709  1.00 16.74    -0.346 N 
-ATOM   5705  HN  GLN C 167     100.831  64.637  18.204  1.00  0.00     0.163 HD
-ATOM   5706  CA  GLN C 167     102.869  64.580  18.893  1.00 17.40     0.177 C 
-ATOM   5707  C   GLN C 167     103.886  65.268  17.975  1.00 17.26     0.241 C 
-ATOM   5708  O   GLN C 167     105.084  65.049  18.093  1.00 16.94    -0.271 OA
-ATOM   5709  CB  GLN C 167     102.847  63.066  18.624  1.00 17.88     0.044 C 
-ATOM   5710  CG  GLN C 167     102.647  62.703  17.162  1.00 19.43     0.105 C 
-ATOM   5711  CD  GLN C 167     102.447  61.222  16.945  1.00 22.33     0.215 C 
-ATOM   5712  NE2 GLN C 167     101.201  60.824  16.693  1.00 22.12    -0.370 N 
-ATOM   5713 1HE2 GLN C 167     100.409  61.465  16.647  1.00  0.00     0.159 HD
-ATOM   5714 2HE2 GLN C 167     101.066  59.824  16.546  1.00  0.00     0.159 HD
-ATOM   5715  OE1 GLN C 167     103.403  60.449  17.001  1.00 22.46    -0.274 OA
-ATOM   5716  N   TYR C 168     103.396  66.123  17.077  1.00 17.21    -0.346 N 
-ATOM   5717  HN  TYR C 168     102.397  66.329  17.073  1.00  0.00     0.163 HD
-ATOM   5718  CA  TYR C 168     104.266  66.769  16.100  1.00 17.10     0.180 C 
-ATOM   5719  C   TYR C 168     104.624  68.203  16.480  1.00 16.66     0.241 C 
-ATOM   5720  O   TYR C 168     105.524  68.811  15.900  1.00 16.90    -0.271 OA
-ATOM   5721  CB  TYR C 168     103.681  66.661  14.695  1.00 17.20     0.073 C 
-ATOM   5722  CG  TYR C 168     103.455  65.220  14.277  1.00 17.06    -0.056 A 
-ATOM   5723  CD1 TYR C 168     104.489  64.293  14.303  1.00 16.83     0.010 A 
-ATOM   5724  CD2 TYR C 168     102.197  64.781  13.894  1.00 16.68     0.010 A 
-ATOM   5725  CE1 TYR C 168     104.279  62.975  13.935  1.00 17.63     0.037 A 
-ATOM   5726  CE2 TYR C 168     101.976  63.446  13.538  1.00 16.54     0.037 A 
-ATOM   5727  CZ  TYR C 168     103.026  62.553  13.556  1.00 17.45     0.065 A 
-ATOM   5728  OH  TYR C 168     102.816  61.234  13.190  1.00 18.81    -0.361 OA
-ATOM   5729  HH  TYR C 168     103.540  60.619  13.202  1.00  0.00     0.217 HD
-ATOM   5730  N   SER C 169     103.955  68.727  17.495  1.00 15.96    -0.344 N 
-ATOM   5731  HN  SER C 169     103.143  68.232  17.863  1.00  0.00     0.163 HD
-ATOM   5732  CA  SER C 169     104.349  69.992  18.099  1.00 15.56     0.200 C 
-ATOM   5733  C   SER C 169     105.821  70.067  18.517  1.00 15.68     0.243 C 
-ATOM   5734  O   SER C 169     106.493  69.047  18.810  1.00 15.50    -0.271 OA
-ATOM   5735  CB  SER C 169     103.471  70.293  19.303  1.00 15.69     0.199 C 
-ATOM   5736  OG  SER C 169     103.666  71.637  19.810  1.00 15.19    -0.398 OA
-ATOM   5737  HG  SER C 169     103.117  71.825  20.562  1.00  0.00     0.209 HD
-ATOM   5738  N   ARG C 170     106.332  71.284  18.523  1.00 15.73    -0.346 N 
-ATOM   5739  HN  ARG C 170     105.752  72.061  18.204  1.00  0.00     0.163 HD
-ATOM   5740  CA  ARG C 170     107.695  71.562  18.968  1.00 16.44     0.176 C 
-ATOM   5741  C   ARG C 170     107.765  71.609  20.488  1.00 15.60     0.241 C 
-ATOM   5742  O   ARG C 170     108.855  71.625  21.080  1.00 15.04    -0.271 OA
-ATOM   5743  CB  ARG C 170     108.122  72.918  18.468  1.00 16.85     0.036 C 
-ATOM   5744  CG  ARG C 170     109.113  72.893  17.359  1.00 20.10     0.023 C 
-ATOM   5745  CD  ARG C 170     109.530  74.304  16.966  1.00 23.95     0.138 C 
-ATOM   5746  NE  ARG C 170     108.350  75.177  16.899  1.00 26.78    -0.227 N 
-ATOM   5747  HE  ARG C 170     107.434  74.729  16.879  1.00  0.00     0.177 HD
-ATOM   5748  CZ  ARG C 170     108.385  76.515  16.862  1.00 27.87     0.665 C 
-ATOM   5749  NH1 ARG C 170     109.569  77.152  16.870  1.00 25.41    -0.235 N 
-ATOM   5750 1HH1 ARG C 170     109.596  78.171  16.842  1.00  0.00     0.174 HD
-ATOM   5751 2HH1 ARG C 170     110.444  76.629  16.913  1.00  0.00     0.174 HD
-ATOM   5752  NH2 ARG C 170     107.228  77.207  16.805  1.00 25.31    -0.235 N 
-ATOM   5753 1HH2 ARG C 170     107.255  78.226  16.777  1.00  0.00     0.174 HD
-ATOM   5754 2HH2 ARG C 170     106.330  76.724  16.799  1.00  0.00     0.174 HD
-ATOM   5755  N   PHE C 171     106.587  71.655  21.099  1.00 14.02    -0.346 N 
-ATOM   5756  HN  PHE C 171     105.749  71.596  20.520  1.00  0.00     0.163 HD
-ATOM   5757  CA  PHE C 171     106.408  71.784  22.535  1.00 13.69     0.180 C 
-ATOM   5758  C   PHE C 171     105.742  70.527  23.083  1.00 13.81     0.241 C 
-ATOM   5759  O   PHE C 171     105.075  69.782  22.348  1.00 13.29    -0.271 OA
-ATOM   5760  CB  PHE C 171     105.541  73.027  22.819  1.00 12.76     0.073 C 
-ATOM   5761  CG  PHE C 171     106.131  74.305  22.252  1.00 14.18    -0.056 A 
-ATOM   5762  CD1 PHE C 171     105.765  74.758  20.979  1.00 13.19     0.007 A 
-ATOM   5763  CD2 PHE C 171     107.101  75.018  22.963  1.00 14.31     0.007 A 
-ATOM   5764  CE1 PHE C 171     106.326  75.926  20.429  1.00 13.26     0.001 A 
-ATOM   5765  CE2 PHE C 171     107.657  76.181  22.426  1.00 16.45     0.001 A 
-ATOM   5766  CZ  PHE C 171     107.260  76.624  21.135  1.00 14.44     0.000 A 
-ATOM   5767  N   GLU C 172     105.912  70.320  24.379  1.00 15.36    -0.346 N 
-ATOM   5768  HN  GLU C 172     106.553  70.926  24.890  1.00  0.00     0.163 HD
-ATOM   5769  CA  GLU C 172     105.221  69.261  25.109  1.00 16.75     0.177 C 
-ATOM   5770  C   GLU C 172     104.560  69.863  26.334  1.00 16.97     0.241 C 
-ATOM   5771  O   GLU C 172     105.028  70.871  26.878  1.00 17.03    -0.271 OA
-ATOM   5772  CB  GLU C 172     106.179  68.133  25.509  1.00 16.98     0.045 C 
-ATOM   5773  CG  GLU C 172     107.388  68.571  26.331  1.00 18.71     0.116 C 
-ATOM   5774  CD  GLU C 172     108.343  67.422  26.648  1.00 22.46     0.172 C 
-ATOM   5775  OE1 GLU C 172     107.935  66.240  26.510  1.00 24.88    -0.648 OA
-ATOM   5776  OE2 GLU C 172     109.502  67.694  27.017  1.00 22.47    -0.648 OA
-ATOM   5777  N   ILE C 173     103.455  69.257  26.742  1.00 17.41    -0.346 N 
-ATOM   5778  HN  ILE C 173     103.116  68.443  26.229  1.00  0.00     0.163 HD
-ATOM   5779  CA  ILE C 173     102.713  69.721  27.901  1.00 17.85     0.180 C 
-ATOM   5780  C   ILE C 173     103.147  68.944  29.136  1.00 18.36     0.241 C 
-ATOM   5781  O   ILE C 173     103.185  67.705  29.144  1.00 18.12    -0.271 OA
-ATOM   5782  CB  ILE C 173     101.224  69.597  27.645  1.00 18.07     0.013 C 
-ATOM   5783  CG1 ILE C 173     100.812  70.630  26.575  1.00 18.38     0.002 C 
-ATOM   5784  CG2 ILE C 173     100.461  69.717  28.976  1.00 18.01     0.012 C 
-ATOM   5785  CD1 ILE C 173      99.371  70.537  26.161  1.00 20.44     0.005 C 
-ATOM   5786  N   LEU C 174     103.514  69.677  30.175  1.00 18.67    -0.346 N 
-ATOM   5787  HN  LEU C 174     103.530  70.694  30.095  1.00  0.00     0.163 HD
-ATOM   5788  CA  LEU C 174     103.894  69.047  31.428  1.00 19.29     0.177 C 
-ATOM   5789  C   LEU C 174     102.693  68.852  32.341  1.00 19.60     0.241 C 
-ATOM   5790  O   LEU C 174     102.578  67.817  32.994  1.00 19.50    -0.271 OA
-ATOM   5791  CB  LEU C 174     104.998  69.849  32.128  1.00 18.86     0.038 C 
-ATOM   5792  CG  LEU C 174     106.239  70.078  31.262  1.00 19.22    -0.020 C 
-ATOM   5793  CD1 LEU C 174     107.242  71.011  31.936  1.00 19.33     0.009 C 
-ATOM   5794  CD2 LEU C 174     106.885  68.756  30.883  1.00 18.77     0.009 C 
-ATOM   5795  N   ASP C 175     101.817  69.858  32.381  1.00 20.04    -0.346 N 
-ATOM   5796  HN  ASP C 175     101.954  70.645  31.747  1.00  0.00     0.163 HD
-ATOM   5797  CA  ASP C 175     100.669  69.889  33.289  1.00 21.03     0.186 C 
-ATOM   5798  C   ASP C 175      99.647  70.954  32.896  1.00 20.89     0.241 C 
-ATOM   5799  O   ASP C 175     100.003  72.001  32.388  1.00 20.42    -0.271 OA
-ATOM   5800  CB  ASP C 175     101.140  70.197  34.713  1.00 21.82     0.147 C 
-ATOM   5801  CG  ASP C 175     100.311  69.502  35.769  1.00 24.27     0.175 C 
-ATOM   5802  OD1 ASP C 175      99.188  69.065  35.457  1.00 26.40    -0.648 OA
-ATOM   5803  OD2 ASP C 175     100.714  69.339  36.937  1.00 27.85    -0.648 OA
-ATOM   5804  N   VAL C 176      98.374  70.655  33.136  1.00 21.45    -0.346 N 
-ATOM   5805  HN  VAL C 176      98.148  69.714  33.459  1.00  0.00     0.163 HD
-ATOM   5806  CA  VAL C 176      97.290  71.606  32.960  1.00 21.84     0.180 C 
-ATOM   5807  C   VAL C 176      96.503  71.589  34.256  1.00 22.82     0.241 C 
-ATOM   5808  O   VAL C 176      96.024  70.524  34.665  1.00 23.17    -0.271 OA
-ATOM   5809  CB  VAL C 176      96.364  71.223  31.805  1.00 21.88     0.009 C 
-ATOM   5810  CG1 VAL C 176      95.237  72.298  31.611  1.00 21.05     0.012 C 
-ATOM   5811  CG2 VAL C 176      97.140  71.041  30.520  1.00 21.03     0.012 C 
-ATOM   5812  N   THR C 177      96.423  72.738  34.937  1.00 23.44    -0.344 N 
-ATOM   5813  HN  THR C 177      96.985  73.532  34.631  1.00  0.00     0.163 HD
-ATOM   5814  CA  THR C 177      95.547  72.895  36.119  1.00 23.82     0.205 C 
-ATOM   5815  C   THR C 177      94.509  73.999  35.935  1.00 23.55     0.243 C 
-ATOM   5816  O   THR C 177      94.747  74.972  35.209  1.00 22.94    -0.271 OA
-ATOM   5817  CB  THR C 177      96.341  73.182  37.415  1.00 23.97     0.146 C 
-ATOM   5818  CG2 THR C 177      97.338  72.039  37.767  1.00 24.56     0.042 C 
-ATOM   5819  OG1 THR C 177      97.149  74.353  37.234  1.00 25.05    -0.393 OA
-ATOM   5820  HG1 THR C 177      97.637  74.529  38.030  1.00  0.00     0.210 HD
-ATOM   5821  N   GLN C 178      93.379  73.850  36.628  1.00 23.15    -0.346 N 
-ATOM   5822  HN  GLN C 178      93.219  72.989  37.150  1.00  0.00     0.163 HD
-ATOM   5823  CA  GLN C 178      92.369  74.902  36.649  1.00 24.02     0.177 C 
-ATOM   5824  C   GLN C 178      91.983  75.380  38.029  1.00 24.05     0.241 C 
-ATOM   5825  O   GLN C 178      92.061  74.649  39.024  1.00 24.01    -0.271 OA
-ATOM   5826  CB  GLN C 178      91.112  74.502  35.890  1.00 24.26     0.044 C 
-ATOM   5827  CG  GLN C 178      90.970  73.043  35.640  1.00 27.54     0.105 C 
-ATOM   5828  CD  GLN C 178      91.026  72.779  34.168  1.00 32.26     0.215 C 
-ATOM   5829  NE2 GLN C 178      92.148  72.177  33.727  1.00 30.59    -0.370 N 
-ATOM   5830 1HE2 GLN C 178      92.186  71.997  32.724  1.00  0.00     0.159 HD
-ATOM   5831 2HE2 GLN C 178      92.911  71.885  34.338  1.00  0.00     0.159 HD
-ATOM   5832  OE1 GLN C 178      90.073  73.144  33.405  1.00 30.93    -0.274 OA
-ATOM   5833  N   LYS C 179      91.557  76.631  38.060  1.00 23.97    -0.346 N 
-ATOM   5834  HN  LYS C 179      91.501  77.143  37.180  1.00  0.00     0.163 HD
-ATOM   5835  CA  LYS C 179      91.165  77.316  39.278  1.00 23.74     0.176 C 
-ATOM   5836  C   LYS C 179      90.000  78.239  38.900  1.00 23.53     0.241 C 
-ATOM   5837  O   LYS C 179      90.108  79.032  37.955  1.00 22.89    -0.271 OA
-ATOM   5838  CB  LYS C 179      92.344  78.142  39.757  1.00 23.67     0.035 C 
-ATOM   5839  CG  LYS C 179      92.352  78.462  41.215  1.00 25.61     0.004 C 
-ATOM   5840  CD  LYS C 179      92.656  79.938  41.423  1.00 27.63     0.027 C 
-ATOM   5841  CE  LYS C 179      92.977  80.248  42.895  1.00 29.38     0.229 C 
-ATOM   5842  NZ  LYS C 179      94.410  80.651  43.102  1.00 29.47    -0.079 N 
-ATOM   5843  HZ1 LYS C 179      94.623  80.857  44.078  1.00  0.00     0.274 HD
-ATOM   5844  HZ2 LYS C 179      94.661  81.435  42.499  1.00  0.00     0.274 HD
-ATOM   5845  HZ3 LYS C 179      95.046  79.946  42.729  1.00  0.00     0.274 HD
-ATOM   5846  N   LYS C 180      88.885  78.152  39.618  1.00 23.44    -0.346 N 
-ATOM   5847  HN  LYS C 180      88.779  77.427  40.328  1.00  0.00     0.163 HD
-ATOM   5848  CA  LYS C 180      87.815  79.115  39.370  1.00 23.56     0.176 C 
-ATOM   5849  C   LYS C 180      87.978  80.336  40.261  1.00 21.83     0.241 C 
-ATOM   5850  O   LYS C 180      88.337  80.205  41.391  1.00 21.57    -0.271 OA
-ATOM   5851  CB  LYS C 180      86.402  78.483  39.432  1.00 24.37     0.035 C 
-ATOM   5852  CG  LYS C 180      85.963  77.961  40.770  1.00 26.76     0.004 C 
-ATOM   5853  CD  LYS C 180      84.481  77.589  40.728  1.00 31.45     0.027 C 
-ATOM   5854  CE  LYS C 180      83.586  78.768  41.115  1.00 35.14     0.229 C 
-ATOM   5855  NZ  LYS C 180      82.384  78.903  40.214  1.00 35.97    -0.079 N 
-ATOM   5856  HZ1 LYS C 180      81.787  79.689  40.472  1.00  0.00     0.274 HD
-ATOM   5857  HZ2 LYS C 180      81.851  78.034  40.181  1.00  0.00     0.274 HD
-ATOM   5858  HZ3 LYS C 180      82.664  78.961  39.235  1.00  0.00     0.274 HD
-ATOM   5859  N   ASN C 181      87.776  81.529  39.717  1.00 20.32    -0.346 N 
-ATOM   5860  HN  ASN C 181      87.594  81.605  38.716  1.00  0.00     0.163 HD
-ATOM   5861  CA  ASN C 181      87.813  82.738  40.543  1.00 19.22     0.185 C 
-ATOM   5862  C   ASN C 181      86.506  83.487  40.444  1.00 17.93     0.241 C 
-ATOM   5863  O   ASN C 181      85.700  83.242  39.565  1.00 18.10    -0.271 OA
-ATOM   5864  CB  ASN C 181      88.955  83.697  40.144  1.00 19.09     0.137 C 
-ATOM   5865  CG  ASN C 181      90.320  83.007  40.038  1.00 20.39     0.217 C 
-ATOM   5866  ND2 ASN C 181      90.609  82.447  38.863  1.00 22.45    -0.370 N 
-ATOM   5867 1HD2 ASN C 181      91.517  81.988  38.792  1.00  0.00     0.159 HD
-ATOM   5868 2HD2 ASN C 181      89.951  82.435  38.084  1.00  0.00     0.159 HD
-ATOM   5869  OD1 ASN C 181      91.111  83.021  40.974  1.00 19.99    -0.274 OA
-ATOM   5870  N   SER C 182      86.337  84.432  41.349  1.00 17.25    -0.344 N 
-ATOM   5871  HN  SER C 182      87.057  84.541  42.063  1.00  0.00     0.163 HD
-ATOM   5872  CA  SER C 182      85.199  85.324  41.397  1.00 16.55     0.200 C 
-ATOM   5873  C   SER C 182      85.775  86.741  41.551  1.00 15.61     0.243 C 
-ATOM   5874  O   SER C 182      86.330  87.069  42.616  1.00 14.59    -0.271 OA
-ATOM   5875  CB  SER C 182      84.354  84.963  42.618  1.00 16.66     0.199 C 
-ATOM   5876  OG  SER C 182      82.975  85.048  42.323  1.00 19.21    -0.398 OA
-ATOM   5877  HG  SER C 182      82.450  84.824  43.082  1.00  0.00     0.209 HD
-ATOM   5878  N   VAL C 183      85.662  87.564  40.507  1.00 14.14    -0.346 N 
-ATOM   5879  HN  VAL C 183      85.129  87.262  39.691  1.00  0.00     0.163 HD
-ATOM   5880  CA  VAL C 183      86.289  88.902  40.503  1.00 13.60     0.180 C 
-ATOM   5881  C   VAL C 183      85.284  90.072  40.381  1.00 13.36     0.241 C 
-ATOM   5882  O   VAL C 183      84.302  90.037  39.604  1.00 12.24    -0.271 OA
-ATOM   5883  CB  VAL C 183      87.420  89.044  39.398  1.00 14.15     0.009 C 
-ATOM   5884  CG1 VAL C 183      88.198  90.369  39.545  1.00 14.36     0.012 C 
-ATOM   5885  CG2 VAL C 183      88.443  87.835  39.407  1.00 13.91     0.012 C 
-ATOM   5886  N   THR C 184      85.549  91.103  41.156  1.00 12.51    -0.344 N 
-ATOM   5887  HN  THR C 184      86.299  91.014  41.842  1.00  0.00     0.163 HD
-ATOM   5888  CA  THR C 184      84.820  92.371  41.081  1.00 13.69     0.205 C 
-ATOM   5889  C   THR C 184      85.690  93.435  40.338  1.00 13.88     0.243 C 
-ATOM   5890  O   THR C 184      86.800  93.752  40.788  1.00 13.67    -0.271 OA
-ATOM   5891  CB  THR C 184      84.432  92.791  42.536  1.00 14.17     0.146 C 
-ATOM   5892  CG2 THR C 184      83.758  94.173  42.606  1.00 13.68     0.042 C 
-ATOM   5893  OG1 THR C 184      83.431  91.879  43.035  1.00 13.59    -0.393 OA
-ATOM   5894  HG1 THR C 184      83.195  92.134  43.919  1.00  0.00     0.210 HD
-ATOM   5895  N   TYR C 185      85.216  93.923  39.182  1.00 14.10    -0.346 N 
-ATOM   5896  HN  TYR C 185      84.344  93.543  38.815  1.00  0.00     0.163 HD
-ATOM   5897  CA  TYR C 185      85.903  94.992  38.411  1.00 14.37     0.180 C 
-ATOM   5898  C   TYR C 185      85.293  96.387  38.715  1.00 15.96     0.241 C 
-ATOM   5899  O   TYR C 185      84.139  96.483  39.144  1.00 15.21    -0.271 OA
-ATOM   5900  CB  TYR C 185      85.874  94.705  36.904  1.00 14.62     0.073 C 
-ATOM   5901  CG  TYR C 185      86.299  93.281  36.547  1.00 12.43    -0.056 A 
-ATOM   5902  CD1 TYR C 185      87.628  92.972  36.285  1.00 13.98     0.010 A 
-ATOM   5903  CD2 TYR C 185      85.373  92.255  36.512  1.00 11.64     0.010 A 
-ATOM   5904  CE1 TYR C 185      88.032  91.640  35.954  1.00 17.74     0.037 A 
-ATOM   5905  CE2 TYR C 185      85.748  90.939  36.197  1.00 12.83     0.037 A 
-ATOM   5906  CZ  TYR C 185      87.079  90.639  35.936  1.00 16.78     0.065 A 
-ATOM   5907  OH  TYR C 185      87.444  89.332  35.649  1.00 21.42    -0.361 OA
-ATOM   5908  HH  TYR C 185      88.354  89.127  35.471  1.00  0.00     0.217 HD
-ATOM   5909  N   SER C 186      86.063  97.449  38.488  1.00 16.73    -0.344 N 
-ATOM   5910  HN  SER C 186      87.000  97.309  38.110  1.00  0.00     0.163 HD
-ATOM   5911  CA  SER C 186      85.603  98.814  38.765  1.00 18.79     0.200 C 
-ATOM   5912  C   SER C 186      84.443  99.260  37.873  1.00 19.59     0.243 C 
-ATOM   5913  O   SER C 186      83.683 100.135  38.246  1.00 19.79    -0.271 OA
-ATOM   5914  CB  SER C 186      86.764  99.785  38.624  1.00 18.90     0.199 C 
-ATOM   5915  OG  SER C 186      87.894  99.297  39.326  1.00 20.72    -0.398 OA
-ATOM   5916  HG  SER C 186      88.620  99.904  39.238  1.00  0.00     0.209 HD
-ATOM   5917  N   CYS C 187      84.285  98.657  36.704  1.00 20.54    -0.345 N 
-ATOM   5918  HN  CYS C 187      84.919  97.909  36.423  1.00  0.00     0.163 HD
-ATOM   5919  CA  CYS C 187      83.196  99.069  35.818  1.00 22.35     0.186 C 
-ATOM   5920  C   CYS C 187      81.854  98.846  36.482  1.00 22.43     0.242 C 
-ATOM   5921  O   CYS C 187      80.903  99.613  36.281  1.00 22.87    -0.271 OA
-ATOM   5922  CB  CYS C 187      83.199  98.234  34.548  1.00 22.84     0.120 C 
-ATOM   5923  SG  CYS C 187      82.713  96.516  34.850  1.00 26.20    -0.095 SA
-ATOM   5924  N   CYS C 188      81.791  97.771  37.268  1.00 22.74    -0.345 N 
-ATOM   5925  HN  CYS C 188      82.663  97.335  37.568  1.00  0.00     0.163 HD
-ATOM   5926  CA  CYS C 188      80.528  97.189  37.720  1.00 22.96     0.186 C 
-ATOM   5927  C   CYS C 188      80.567  96.714  39.175  1.00 21.98     0.244 C 
-ATOM   5928  O   CYS C 188      81.628  96.325  39.689  1.00 22.25    -0.271 OA
-ATOM   5929  CB  CYS C 188      80.148  96.044  36.792  1.00 22.73     0.120 C 
-ATOM   5930  SG  CYS C 188      80.672  96.340  35.079  1.00 26.70    -0.095 SA
-ATOM   5931  N   PRO C 189      79.418  96.759  39.842  1.00 20.69    -0.337 N 
-ATOM   5932  CA  PRO C 189      79.361  96.428  41.271  1.00 20.37     0.179 C 
-ATOM   5933  C   PRO C 189      79.267  94.915  41.574  1.00 19.56     0.241 C 
-ATOM   5934  O   PRO C 189      79.525  94.491  42.698  1.00 19.48    -0.271 OA
-ATOM   5935  CB  PRO C 189      78.108  97.187  41.740  1.00 20.51     0.037 C 
-ATOM   5936  CG  PRO C 189      77.169  97.125  40.486  1.00 20.80     0.022 C 
-ATOM   5937  CD  PRO C 189      78.102  97.160  39.301  1.00 20.22     0.127 C 
-ATOM   5938  N   GLU C 190      78.937  94.105  40.580  1.00 19.05    -0.346 N 
-ATOM   5939  HN  GLU C 190      78.798  94.487  39.645  1.00  0.00     0.163 HD
-ATOM   5940  CA  GLU C 190      78.769  92.663  40.807  1.00 18.50     0.177 C 
-ATOM   5941  C   GLU C 190      80.050  91.888  40.505  1.00 17.90     0.241 C 
-ATOM   5942  O   GLU C 190      80.930  92.351  39.757  1.00 17.36    -0.271 OA
-ATOM   5943  CB  GLU C 190      77.583  92.120  39.996  1.00 18.51     0.045 C 
-ATOM   5944  CG  GLU C 190      76.252  91.974  40.753  1.00 22.21     0.116 C 
-ATOM   5945  CD  GLU C 190      76.291  90.914  41.877  1.00 28.31     0.172 C 
-ATOM   5946  OE1 GLU C 190      76.737  89.749  41.635  1.00 29.66    -0.648 OA
-ATOM   5947  OE2 GLU C 190      75.890  91.246  43.028  1.00 29.22    -0.648 OA
-ATOM   5948  N   ALA C 191      80.154  90.705  41.101  1.00 16.99    -0.346 N 
-ATOM   5949  HN  ALA C 191      79.420  90.412  41.746  1.00  0.00     0.163 HD
-ATOM   5950  CA  ALA C 191      81.285  89.810  40.863  1.00 16.04     0.172 C 
-ATOM   5951  C   ALA C 191      81.065  88.965  39.621  1.00 15.57     0.240 C 
-ATOM   5952  O   ALA C 191      79.946  88.512  39.369  1.00 14.78    -0.271 OA
-ATOM   5953  CB  ALA C 191      81.509  88.927  42.066  1.00 16.06     0.042 C 
-ATOM   5954  N   TYR C 192      82.136  88.752  38.848  1.00 15.36    -0.346 N 
-ATOM   5955  HN  TYR C 192      83.026  89.167  39.122  1.00  0.00     0.163 HD
-ATOM   5956  CA  TYR C 192      82.084  87.954  37.635  1.00 15.74     0.180 C 
-ATOM   5957  C   TYR C 192      82.983  86.766  37.808  1.00 16.50     0.241 C 
-ATOM   5958  O   TYR C 192      84.117  86.913  38.236  1.00 16.80    -0.271 OA
-ATOM   5959  CB  TYR C 192      82.571  88.764  36.426  1.00 15.15     0.073 C 
-ATOM   5960  CG  TYR C 192      81.611  89.867  36.054  1.00 15.72    -0.056 A 
-ATOM   5961  CD1 TYR C 192      81.654  91.091  36.721  1.00 15.46     0.010 A 
-ATOM   5962  CD2 TYR C 192      80.646  89.678  35.081  1.00 14.51     0.010 A 
-ATOM   5963  CE1 TYR C 192      80.772  92.090  36.417  1.00 16.41     0.037 A 
-ATOM   5964  CE2 TYR C 192      79.767  90.667  34.760  1.00 15.49     0.037 A 
-ATOM   5965  CZ  TYR C 192      79.837  91.883  35.430  1.00 15.83     0.065 A 
-ATOM   5966  OH  TYR C 192      78.961  92.887  35.150  1.00 17.26    -0.361 OA
-ATOM   5967  HH  TYR C 192      79.009  93.718  35.608  1.00  0.00     0.217 HD
-ATOM   5968  N   GLU C 193      82.510  85.597  37.411  1.00 17.09    -0.346 N 
-ATOM   5969  HN  GLU C 193      81.597  85.544  36.960  1.00  0.00     0.163 HD
-ATOM   5970  CA  GLU C 193      83.288  84.388  37.616  1.00 17.71     0.177 C 
-ATOM   5971  C   GLU C 193      84.168  84.077  36.423  1.00 18.35     0.241 C 
-ATOM   5972  O   GLU C 193      83.821  84.361  35.266  1.00 17.55    -0.271 OA
-ATOM   5973  CB  GLU C 193      82.383  83.206  37.955  1.00 17.63     0.045 C 
-ATOM   5974  CG  GLU C 193      81.651  83.357  39.274  1.00 17.71     0.116 C 
-ATOM   5975  CD  GLU C 193      80.961  82.083  39.720  1.00 19.65     0.172 C 
-ATOM   5976  OE1 GLU C 193      81.127  81.020  39.056  1.00 19.77    -0.648 OA
-ATOM   5977  OE2 GLU C 193      80.274  82.136  40.750  1.00 21.22    -0.648 OA
-ATOM   5978  N   ASP C 194      85.319  83.493  36.713  1.00 18.84    -0.346 N 
-ATOM   5979  HN  ASP C 194      85.595  83.371  37.687  1.00  0.00     0.163 HD
-ATOM   5980  CA  ASP C 194      86.182  83.029  35.661  1.00 20.05     0.186 C 
-ATOM   5981  C   ASP C 194      86.819  81.682  36.006  1.00 19.72     0.241 C 
-ATOM   5982  O   ASP C 194      86.901  81.283  37.177  1.00 19.08    -0.271 OA
-ATOM   5983  CB  ASP C 194      87.247  84.075  35.289  1.00 20.42     0.147 C 
-ATOM   5984  CG  ASP C 194      88.252  84.294  36.368  1.00 24.50     0.175 C 
-ATOM   5985  OD1 ASP C 194      89.058  83.367  36.613  1.00 27.95    -0.648 OA
-ATOM   5986  OD2 ASP C 194      88.335  85.375  37.029  1.00 29.34    -0.648 OA
-ATOM   5987  N   VAL C 195      87.265  80.986  34.977  1.00 18.88    -0.346 N 
-ATOM   5988  HN  VAL C 195      86.951  81.216  34.034  1.00  0.00     0.163 HD
-ATOM   5989  CA  VAL C 195      88.201  79.893  35.181  1.00 19.43     0.180 C 
-ATOM   5990  C   VAL C 195      89.566  80.278  34.649  1.00 18.69     0.241 C 
-ATOM   5991  O   VAL C 195      89.683  80.810  33.544  1.00 18.71    -0.271 OA
-ATOM   5992  CB  VAL C 195      87.707  78.596  34.543  1.00 19.57     0.009 C 
-ATOM   5993  CG1 VAL C 195      88.783  77.503  34.677  1.00 20.71     0.012 C 
-ATOM   5994  CG2 VAL C 195      86.443  78.138  35.256  1.00 20.27     0.012 C 
-ATOM   5995  N   GLU C 196      90.587  80.037  35.450  1.00 18.41    -0.346 N 
-ATOM   5996  HN  GLU C 196      90.402  79.685  36.389  1.00  0.00     0.163 HD
-ATOM   5997  CA  GLU C 196      91.968  80.255  35.041  1.00 18.98     0.177 C 
-ATOM   5998  C   GLU C 196      92.589  78.927  34.709  1.00 18.36     0.241 C 
-ATOM   5999  O   GLU C 196      92.708  78.053  35.580  1.00 18.43    -0.271 OA
-ATOM   6000  CB  GLU C 196      92.788  80.991  36.125  1.00 18.90     0.045 C 
-ATOM   6001  CG  GLU C 196      92.699  82.514  36.019  1.00 23.03     0.116 C 
-ATOM   6002  CD  GLU C 196      93.363  83.290  37.164  1.00 27.94     0.172 C 
-ATOM   6003  OE1 GLU C 196      93.995  82.675  38.087  1.00 28.48    -0.648 OA
-ATOM   6004  OE2 GLU C 196      93.234  84.543  37.140  1.00 28.58    -0.648 OA
-ATOM   6005  N   VAL C 197      92.988  78.781  33.452  1.00 17.70    -0.346 N 
-ATOM   6006  HN  VAL C 197      92.844  79.546  32.792  1.00  0.00     0.163 HD
-ATOM   6007  CA  VAL C 197      93.631  77.546  32.988  1.00 17.40     0.180 C 
-ATOM   6008  C   VAL C 197      95.146  77.725  32.881  1.00 16.94     0.241 C 
-ATOM   6009  O   VAL C 197      95.650  78.520  32.073  1.00 16.75    -0.271 OA
-ATOM   6010  CB  VAL C 197      93.031  77.068  31.661  1.00 17.46     0.009 C 
-ATOM   6011  CG1 VAL C 197      93.716  75.794  31.176  1.00 17.13     0.012 C 
-ATOM   6012  CG2 VAL C 197      91.526  76.818  31.812  1.00 17.82     0.012 C 
-ATOM   6013  N   SER C 198      95.877  76.983  33.699  1.00 16.78    -0.344 N 
-ATOM   6014  HN  SER C 198      95.414  76.329  34.330  1.00  0.00     0.163 HD
-ATOM   6015  CA  SER C 198      97.343  77.085  33.714  1.00 17.04     0.200 C 
-ATOM   6016  C   SER C 198      97.978  75.989  32.901  1.00 16.78     0.243 C 
-ATOM   6017  O   SER C 198      97.936  74.816  33.290  1.00 16.58    -0.271 OA
-ATOM   6018  CB  SER C 198      97.858  77.081  35.146  1.00 17.16     0.199 C 
-ATOM   6019  OG  SER C 198      97.365  78.239  35.803  1.00 19.17    -0.398 OA
-ATOM   6020  HG  SER C 198      97.686  78.237  36.697  1.00  0.00     0.209 HD
-ATOM   6021  N   LEU C 199      98.555  76.376  31.763  1.00 16.45    -0.346 N 
-ATOM   6022  HN  LEU C 199      98.511  77.365  31.516  1.00  0.00     0.163 HD
-ATOM   6023  CA  LEU C 199      99.245  75.473  30.849  1.00 16.33     0.177 C 
-ATOM   6024  C   LEU C 199     100.748  75.503  31.123  1.00 16.11     0.241 C 
-ATOM   6025  O   LEU C 199     101.417  76.493  30.849  1.00 16.06    -0.271 OA
-ATOM   6026  CB  LEU C 199      98.948  75.866  29.408  1.00 16.77     0.038 C 
-ATOM   6027  CG  LEU C 199      99.698  75.158  28.271  1.00 17.90    -0.020 C 
-ATOM   6028  CD1 LEU C 199      99.266  73.714  28.172  1.00 18.24     0.009 C 
-ATOM   6029  CD2 LEU C 199      99.420  75.900  26.965  1.00 18.65     0.009 C 
-ATOM   6030  N   ASN C 200     101.255  74.413  31.688  1.00 15.68    -0.346 N 
-ATOM   6031  HN  ASN C 200     100.613  73.668  31.958  1.00  0.00     0.163 HD
-ATOM   6032  CA  ASN C 200     102.686  74.222  31.945  1.00 15.44     0.185 C 
-ATOM   6033  C   ASN C 200     103.282  73.446  30.775  1.00 14.68     0.241 C 
-ATOM   6034  O   ASN C 200     102.914  72.304  30.534  1.00 14.53    -0.271 OA
-ATOM   6035  CB  ASN C 200     102.909  73.485  33.290  1.00 15.47     0.137 C 
-ATOM   6036  CG  ASN C 200     104.404  73.374  33.700  1.00 16.99     0.217 C 
-ATOM   6037  ND2 ASN C 200     105.230  74.338  33.276  1.00 17.92    -0.370 N 
-ATOM   6038 1HD2 ASN C 200     106.211  74.265  33.545  1.00  0.00     0.159 HD
-ATOM   6039 2HD2 ASN C 200     104.914  75.105  32.682  1.00  0.00     0.159 HD
-ATOM   6040  OD1 ASN C 200     104.785  72.451  34.415  1.00 17.22    -0.274 OA
-ATOM   6041  N   PHE C 201     104.175  74.083  30.030  1.00 13.78    -0.346 N 
-ATOM   6042  HN  PHE C 201     104.509  75.000  30.326  1.00  0.00     0.163 HD
-ATOM   6043  CA  PHE C 201     104.688  73.502  28.802  1.00 13.59     0.180 C 
-ATOM   6044  C   PHE C 201     106.151  73.909  28.584  1.00 13.17     0.241 C 
-ATOM   6045  O   PHE C 201     106.640  74.866  29.195  1.00 13.19    -0.271 OA
-ATOM   6046  CB  PHE C 201     103.798  73.895  27.617  1.00 13.65     0.073 C 
-ATOM   6047  CG  PHE C 201     103.967  75.312  27.186  1.00 15.01    -0.056 A 
-ATOM   6048  CD1 PHE C 201     103.407  76.350  27.914  1.00 14.91     0.007 A 
-ATOM   6049  CD2 PHE C 201     104.706  75.619  26.036  1.00 15.89     0.007 A 
-ATOM   6050  CE1 PHE C 201     103.578  77.687  27.511  1.00 15.84     0.001 A 
-ATOM   6051  CE2 PHE C 201     104.862  76.968  25.623  1.00 16.08     0.001 A 
-ATOM   6052  CZ  PHE C 201     104.304  77.986  26.371  1.00 15.90     0.000 A 
-ATOM   6053  N   ARG C 202     106.853  73.184  27.729  1.00 12.79    -0.346 N 
-ATOM   6054  HN  ARG C 202     106.412  72.387  27.270  1.00  0.00     0.163 HD
-ATOM   6055  CA  ARG C 202     108.232  73.499  27.433  1.00 13.03     0.176 C 
-ATOM   6056  C   ARG C 202     108.571  73.059  26.016  1.00 13.68     0.241 C 
-ATOM   6057  O   ARG C 202     107.871  72.240  25.406  1.00 12.28    -0.271 OA
-ATOM   6058  CB  ARG C 202     109.186  72.807  28.431  1.00 13.72     0.036 C 
-ATOM   6059  CG  ARG C 202     109.215  71.286  28.340  1.00 12.16     0.023 C 
-ATOM   6060  CD  ARG C 202     110.210  70.601  29.296  1.00 15.21     0.138 C 
-ATOM   6061  NE  ARG C 202     110.163  69.154  29.129  1.00 16.24    -0.227 N 
-ATOM   6062  HE  ARG C 202     109.825  68.796  28.236  1.00  0.00     0.177 HD
-ATOM   6063  CZ  ARG C 202     110.525  68.264  30.046  1.00 20.49     0.665 C 
-ATOM   6064  NH1 ARG C 202     110.974  68.661  31.234  1.00 21.98    -0.235 N 
-ATOM   6065 1HH1 ARG C 202     111.252  67.978  31.938  1.00  0.00     0.174 HD
-ATOM   6066 2HH1 ARG C 202     111.040  69.658  31.439  1.00  0.00     0.174 HD
-ATOM   6067  NH2 ARG C 202     110.439  66.965  29.779  1.00 18.50    -0.235 N 
-ATOM   6068 1HH2 ARG C 202     110.717  66.282  30.483  1.00  0.00     0.174 HD
-ATOM   6069 2HH2 ARG C 202     110.095  66.661  28.868  1.00  0.00     0.174 HD
-ATOM   6070  N   LYS C 203     109.663  73.604  25.505  1.00 14.04    -0.346 N 
-ATOM   6071  HN  LYS C 203     110.159  74.329  26.023  1.00  0.00     0.163 HD
-ATOM   6072  CA  LYS C 203     110.153  73.177  24.222  1.00 15.09     0.176 C 
-ATOM   6073  C   LYS C 203     110.806  71.800  24.400  1.00 15.15     0.241 C 
-ATOM   6074  O   LYS C 203     111.518  71.558  25.397  1.00 14.34    -0.271 OA
-ATOM   6075  CB  LYS C 203     111.130  74.219  23.674  1.00 15.81     0.035 C 
-ATOM   6076  CG  LYS C 203     111.766  73.896  22.302  1.00 18.58     0.004 C 
-ATOM   6077  CD  LYS C 203     111.172  74.776  21.197  1.00 22.41     0.027 C 
-ATOM   6078  CE  LYS C 203     112.051  76.005  20.925  1.00 24.68     0.229 C 
-ATOM   6079  NZ  LYS C 203     112.342  76.794  22.177  1.00 26.68    -0.079 N 
-ATOM   6080  HZ1 LYS C 203     112.926  77.611  21.996  1.00  0.00     0.274 HD
-ATOM   6081  HZ2 LYS C 203     112.753  76.201  22.898  1.00  0.00     0.274 HD
-ATOM   6082  HZ3 LYS C 203     111.480  77.057  22.654  1.00  0.00     0.274 HD
-ATOM   6083  N   LYS C 204     110.524  70.904  23.449  1.00 15.05    -0.346 N 
-ATOM   6084  HN  LYS C 204     109.811  71.139  22.759  1.00  0.00     0.163 HD
-ATOM   6085  CA  LYS C 204     111.185  69.608  23.349  1.00 15.82     0.176 C 
-ATOM   6086  C   LYS C 204     112.694  69.776  23.178  1.00 16.44     0.240 C 
-ATOM   6087  O   LYS C 204     113.140  70.789  22.636  1.00 17.19    -0.271 OA
-ATOM   6088  CB  LYS C 204     110.639  68.839  22.162  1.00 15.52     0.035 C 
-ATOM   6089  CG  LYS C 204     109.272  68.300  22.380  1.00 15.38     0.004 C 
-ATOM   6090  CD  LYS C 204     108.751  67.755  21.085  1.00 15.25     0.027 C 
-ATOM   6091  CE  LYS C 204     107.487  66.988  21.297  1.00 14.56     0.229 C 
-ATOM   6092  NZ  LYS C 204     106.951  66.561  19.969  1.00 17.95    -0.079 N 
-ATOM   6093  HZ1 LYS C 204     106.088  66.037  20.114  1.00  0.00     0.274 HD
-ATOM   6094  HZ2 LYS C 204     107.636  66.039  19.423  1.00  0.00     0.274 HD
-ATOM   6095  HZ3 LYS C 204     106.827  67.346  19.329  1.00  0.00     0.274 HD
-ATOM   6096  N   GLY C 205     113.472  68.783  23.629  1.00 17.04    -0.353 N 
-ATOM   6097  HN  GLY C 205     113.029  67.981  24.078  1.00  0.00     0.162 HD
-ATOM   6098  CA  GLY C 205     114.926  68.799  23.506  1.00 16.39     0.192 C 
-ATOM   6099  C   GLY C 205     115.619  68.464  24.811  1.00 16.51     0.250 C 
-ATOM   6100  O   GLY C 205     115.087  68.531  25.890  1.00 20.00    -0.305 OA
-TER    6101      GLY C 205 
-ATOM   6101  N   GLU D   0      54.660  92.329  35.503  1.00 24.12    -0.066 N 
-ATOM   6102  HN1 GLU D   0      54.299  92.650  36.401  1.00  0.00     0.275 HD
-ATOM   6103  HN2 GLU D   0      53.934  91.877  34.947  1.00  0.00     0.275 HD
-ATOM   6104  HN3 GLU D   0      54.868  93.110  34.881  1.00  0.00     0.275 HD
-ATOM   6105  CA  GLU D   0      55.844  91.442  35.684  1.00 25.09     0.275 C 
-ATOM   6106  C   GLU D   0      56.382  90.963  34.344  1.00 24.78     0.249 C 
-ATOM   6107  O   GLU D   0      55.640  90.456  33.505  1.00 25.71    -0.271 OA
-ATOM   6108  CB  GLU D   0      55.505  90.235  36.561  1.00 25.88     0.053 C 
-ATOM   6109  CG  GLU D   0      56.107  88.922  36.072  1.00 27.59     0.115 C 
-ATOM   6110  CD  GLU D   0      56.635  88.038  37.194  1.00 31.21     0.172 C 
-ATOM   6111  OE1 GLU D   0      55.802  87.452  37.939  1.00 32.46    -0.648 OA
-ATOM   6112  OE2 GLU D   0      57.881  87.904  37.312  1.00 32.54    -0.648 OA
-ATOM   6113  N   PHE D   1      57.676  91.139  34.133  1.00 23.20    -0.346 N 
-ATOM   6114  HN  PHE D   1      58.240  91.632  34.825  1.00  0.00     0.163 HD
-ATOM   6115  CA  PHE D   1      58.301  90.633  32.919  1.00 22.65     0.180 C 
-ATOM   6116  C   PHE D   1      59.409  89.700  33.338  1.00 21.99     0.241 C 
-ATOM   6117  O   PHE D   1      60.048  89.926  34.385  1.00 22.10    -0.271 OA
-ATOM   6118  CB  PHE D   1      58.919  91.761  32.091  1.00 22.44     0.073 C 
-ATOM   6119  CG  PHE D   1      58.006  92.923  31.861  1.00 24.54    -0.056 A 
-ATOM   6120  CD1 PHE D   1      56.941  92.820  30.961  1.00 26.27     0.007 A 
-ATOM   6121  CD2 PHE D   1      58.213  94.137  32.531  1.00 25.76     0.007 A 
-ATOM   6122  CE1 PHE D   1      56.078  93.910  30.734  1.00 27.92     0.001 A 
-ATOM   6123  CE2 PHE D   1      57.372  95.231  32.321  1.00 26.83     0.001 A 
-ATOM   6124  CZ  PHE D   1      56.296  95.125  31.413  1.00 28.27     0.000 A 
-ATOM   6125  N   ASP D   2      59.641  88.654  32.548  1.00 20.81    -0.345 N 
-ATOM   6126  HN  ASP D   2      58.964  88.390  31.832  1.00  0.00     0.163 HD
-ATOM   6127  CA  ASP D   2      60.868  87.891  32.715  1.00 20.27     0.186 C 
-ATOM   6128  C   ASP D   2      61.890  88.354  31.659  1.00 19.38     0.241 C 
-ATOM   6129  O   ASP D   2      61.600  89.214  30.814  1.00 18.84    -0.271 OA
-ATOM   6130  CB  ASP D   2      60.601  86.369  32.687  1.00 20.88     0.147 C 
-ATOM   6131  CG  ASP D   2      60.011  85.888  31.346  1.00 22.07     0.175 C 
-ATOM   6132  OD1 ASP D   2      60.081  86.636  30.332  1.00 22.65    -0.648 OA
-ATOM   6133  OD2 ASP D   2      59.440  84.776  31.210  1.00 23.86    -0.648 OA
-ATOM   6134  N   ARG D   3      63.088  87.797  31.708  1.00 18.58    -0.346 N 
-ATOM   6135  HN  ARG D   3      63.279  87.074  32.401  1.00  0.00     0.163 HD
-ATOM   6136  CA  ARG D   3      64.140  88.205  30.782  1.00 17.86     0.176 C 
-ATOM   6137  C   ARG D   3      63.685  88.039  29.343  1.00 17.20     0.241 C 
-ATOM   6138  O   ARG D   3      63.924  88.917  28.509  1.00 17.25    -0.271 OA
-ATOM   6139  CB  ARG D   3      65.411  87.398  31.026  1.00 18.10     0.036 C 
-ATOM   6140  CG  ARG D   3      66.299  87.966  32.096  1.00 18.81     0.023 C 
-ATOM   6141  CD  ARG D   3      67.296  86.949  32.704  1.00 19.42     0.138 C 
-ATOM   6142  NE  ARG D   3      68.112  87.595  33.711  1.00 21.93    -0.227 N 
-ATOM   6143  HE  ARG D   3      68.925  88.121  33.390  1.00  0.00     0.177 HD
-ATOM   6144  CZ  ARG D   3      67.886  87.557  35.014  1.00 25.73     0.665 C 
-ATOM   6145  NH1 ARG D   3      66.860  86.844  35.513  1.00 27.33    -0.235 N 
-ATOM   6146 1HH1 ARG D   3      66.236  86.331  34.890  1.00  0.00     0.174 HD
-ATOM   6147 2HH1 ARG D   3      66.686  86.815  36.518  1.00  0.00     0.174 HD
-ATOM   6148  NH2 ARG D   3      68.705  88.230  35.831  1.00 26.10    -0.235 N 
-ATOM   6149 1HH2 ARG D   3      69.483  88.771  35.453  1.00  0.00     0.174 HD
-ATOM   6150 2HH2 ARG D   3      68.531  88.201  36.836  1.00  0.00     0.174 HD
-ATOM   6151  N   ALA D   4      63.014  86.926  29.050  1.00 16.28    -0.346 N 
-ATOM   6152  HN  ALA D   4      62.833  86.243  29.786  1.00  0.00     0.163 HD
-ATOM   6153  CA  ALA D   4      62.536  86.666  27.704  1.00 15.75     0.172 C 
-ATOM   6154  C   ALA D   4      61.617  87.792  27.199  1.00 15.63     0.240 C 
-ATOM   6155  O   ALA D   4      61.756  88.244  26.043  1.00 14.79    -0.271 OA
-ATOM   6156  CB  ALA D   4      61.860  85.311  27.632  1.00 15.29     0.042 C 
-ATOM   6157  N   ASP D   5      60.707  88.256  28.069  1.00 15.64    -0.346 N 
-ATOM   6158  HN  ASP D   5      60.659  87.839  28.999  1.00  0.00     0.163 HD
-ATOM   6159  CA  ASP D   5      59.775  89.345  27.731  1.00 16.42     0.186 C 
-ATOM   6160  C   ASP D   5      60.533  90.677  27.449  1.00 15.91     0.241 C 
-ATOM   6161  O   ASP D   5      60.308  91.337  26.423  1.00 15.51    -0.271 OA
-ATOM   6162  CB  ASP D   5      58.772  89.559  28.861  1.00 17.15     0.147 C 
-ATOM   6163  CG  ASP D   5      57.835  88.381  29.059  1.00 20.81     0.175 C 
-ATOM   6164  OD1 ASP D   5      57.584  87.634  28.079  1.00 24.24    -0.648 OA
-ATOM   6165  OD2 ASP D   5      57.302  88.116  30.169  1.00 24.92    -0.648 OA
-ATOM   6166  N   ILE D   6      61.438  91.038  28.362  1.00 15.17    -0.346 N 
-ATOM   6167  HN  ILE D   6      61.571  90.447  29.183  1.00  0.00     0.163 HD
-ATOM   6168  CA  ILE D   6      62.240  92.242  28.228  1.00 14.78     0.180 C 
-ATOM   6169  C   ILE D   6      62.983  92.227  26.887  1.00 14.78     0.241 C 
-ATOM   6170  O   ILE D   6      62.925  93.198  26.113  1.00 13.86    -0.271 OA
-ATOM   6171  CB  ILE D   6      63.237  92.407  29.431  1.00 14.79     0.013 C 
-ATOM   6172  CG1 ILE D   6      62.486  92.610  30.766  1.00 14.09     0.002 C 
-ATOM   6173  CG2 ILE D   6      64.176  93.619  29.210  1.00 14.17     0.012 C 
-ATOM   6174  CD1 ILE D   6      63.342  92.250  32.010  1.00 13.03     0.005 C 
-ATOM   6175  N   LEU D   7      63.631  91.106  26.601  1.00 15.07    -0.346 N 
-ATOM   6176  HN  LEU D   7      63.558  90.314  27.240  1.00  0.00     0.163 HD
-ATOM   6177  CA  LEU D   7      64.444  90.975  25.400  1.00 15.88     0.177 C 
-ATOM   6178  C   LEU D   7      63.605  90.951  24.121  1.00 15.66     0.241 C 
-ATOM   6179  O   LEU D   7      64.009  91.518  23.115  1.00 15.06    -0.271 OA
-ATOM   6180  CB  LEU D   7      65.391  89.772  25.488  1.00 16.06     0.038 C 
-ATOM   6181  CG  LEU D   7      66.557  90.022  26.446  1.00 17.52    -0.020 C 
-ATOM   6182  CD1 LEU D   7      67.148  88.706  26.962  1.00 19.08     0.009 C 
-ATOM   6183  CD2 LEU D   7      67.621  90.844  25.787  1.00 19.30     0.009 C 
-ATOM   6184  N   TYR D   8      62.456  90.304  24.172  1.00 15.48    -0.346 N 
-ATOM   6185  HN  TYR D   8      62.237  89.746  24.997  1.00  0.00     0.163 HD
-ATOM   6186  CA  TYR D   8      61.498  90.365  23.090  1.00 16.73     0.180 C 
-ATOM   6187  C   TYR D   8      61.011  91.823  22.825  1.00 16.55     0.241 C 
-ATOM   6188  O   TYR D   8      61.029  92.301  21.694  1.00 16.05    -0.271 OA
-ATOM   6189  CB  TYR D   8      60.302  89.476  23.416  1.00 17.41     0.073 C 
-ATOM   6190  CG  TYR D   8      59.215  89.463  22.368  1.00 20.86    -0.056 A 
-ATOM   6191  CD1 TYR D   8      59.402  88.828  21.137  1.00 24.36     0.010 A 
-ATOM   6192  CD2 TYR D   8      57.992  90.070  22.615  1.00 23.19     0.010 A 
-ATOM   6193  CE1 TYR D   8      58.390  88.795  20.184  1.00 26.05     0.037 A 
-ATOM   6194  CE2 TYR D   8      56.975  90.046  21.683  1.00 25.49     0.037 A 
-ATOM   6195  CZ  TYR D   8      57.173  89.419  20.468  1.00 26.98     0.065 A 
-ATOM   6196  OH  TYR D   8      56.135  89.413  19.545  1.00 28.51    -0.361 OA
-ATOM   6197  HH  TYR D   8      55.307  89.837  19.738  1.00  0.00     0.217 HD
-ATOM   6198  N   ASN D   9      60.602  92.519  23.877  1.00 16.23    -0.346 N 
-ATOM   6199  HN  ASN D   9      60.623  92.093  24.803  1.00  0.00     0.163 HD
-ATOM   6200  CA  ASN D   9      60.125  93.881  23.724  1.00 16.62     0.185 C 
-ATOM   6201  C   ASN D   9      61.206  94.784  23.169  1.00 16.32     0.241 C 
-ATOM   6202  O   ASN D   9      60.916  95.619  22.331  1.00 15.77    -0.271 OA
-ATOM   6203  CB  ASN D   9      59.532  94.413  25.028  1.00 16.60     0.137 C 
-ATOM   6204  CG  ASN D   9      58.255  93.666  25.433  1.00 18.17     0.217 C 
-ATOM   6205  ND2 ASN D   9      57.888  93.741  26.691  1.00 17.64    -0.370 N 
-ATOM   6206 1HD2 ASN D   9      58.416  94.277  27.380  1.00  0.00     0.159 HD
-ATOM   6207 2HD2 ASN D   9      57.039  93.244  26.960  1.00  0.00     0.159 HD
-ATOM   6208  OD1 ASN D   9      57.627  93.029  24.614  1.00 19.47    -0.274 OA
-ATOM   6209  N   ILE D  10      62.460  94.578  23.585  1.00 16.35    -0.346 N 
-ATOM   6210  HN  ILE D  10      62.654  93.829  24.250  1.00  0.00     0.163 HD
-ATOM   6211  CA  ILE D  10      63.554  95.411  23.100  1.00 16.38     0.180 C 
-ATOM   6212  C   ILE D  10      63.813  95.091  21.621  1.00 17.63     0.241 C 
-ATOM   6213  O   ILE D  10      63.965  96.005  20.791  1.00 16.74    -0.271 OA
-ATOM   6214  CB  ILE D  10      64.855  95.218  23.947  1.00 16.74     0.013 C 
-ATOM   6215  CG1 ILE D  10      64.762  95.947  25.291  1.00 15.21     0.002 C 
-ATOM   6216  CG2 ILE D  10      66.099  95.690  23.194  1.00 15.54     0.012 C 
-ATOM   6217  CD1 ILE D  10      65.819  95.490  26.282  1.00 13.56     0.005 C 
-ATOM   6218  N   ARG D  11      63.852  93.809  21.273  1.00 18.85    -0.346 N 
-ATOM   6219  HN  ARG D  11      63.694  93.081  21.969  1.00  0.00     0.163 HD
-ATOM   6220  CA  ARG D  11      64.121  93.457  19.892  1.00 20.62     0.176 C 
-ATOM   6221  C   ARG D  11      63.047  94.065  18.988  1.00 21.00     0.241 C 
-ATOM   6222  O   ARG D  11      63.352  94.644  17.955  1.00 19.62    -0.271 OA
-ATOM   6223  CB  ARG D  11      64.191  91.949  19.739  1.00 21.35     0.036 C 
-ATOM   6224  CG  ARG D  11      64.702  91.477  18.389  1.00 26.15     0.023 C 
-ATOM   6225  CD  ARG D  11      64.860  89.957  18.335  1.00 33.80     0.138 C 
-ATOM   6226  NE  ARG D  11      65.765  89.546  17.261  1.00 42.00    -0.227 N 
-ATOM   6227  HE  ARG D  11      66.767  89.584  17.448  1.00  0.00     0.177 HD
-ATOM   6228  CZ  ARG D  11      65.376  89.122  16.046  1.00 44.99     0.665 C 
-ATOM   6229  NH1 ARG D  11      64.077  89.037  15.724  1.00 44.00    -0.235 N 
-ATOM   6230 1HH1 ARG D  11      63.369  89.297  16.410  1.00  0.00     0.174 HD
-ATOM   6231 2HH1 ARG D  11      63.782  88.715  14.802  1.00  0.00     0.174 HD
-ATOM   6232  NH2 ARG D  11      66.303  88.782  15.148  1.00 45.81    -0.235 N 
-ATOM   6233 1HH2 ARG D  11      67.291  88.847  15.393  1.00  0.00     0.174 HD
-ATOM   6234 2HH2 ARG D  11      66.008  88.460  14.226  1.00  0.00     0.174 HD
-ATOM   6235  N   GLN D  12      61.783  93.970  19.412  1.00 21.71    -0.346 N 
-ATOM   6236  HN  GLN D  12      61.579  93.522  20.305  1.00  0.00     0.163 HD
-ATOM   6237  CA  GLN D  12      60.684  94.509  18.596  1.00 21.82     0.177 C 
-ATOM   6238  C   GLN D  12      60.605  96.051  18.485  1.00 22.37     0.241 C 
-ATOM   6239  O   GLN D  12      59.940  96.554  17.578  1.00 22.40    -0.271 OA
-ATOM   6240  CB  GLN D  12      59.332  93.966  19.080  1.00 21.77     0.044 C 
-ATOM   6241  CG  GLN D  12      59.233  92.457  19.168  1.00 21.43     0.105 C 
-ATOM   6242  CD  GLN D  12      59.183  91.804  17.817  1.00 21.95     0.215 C 
-ATOM   6243  NE2 GLN D  12      60.322  91.332  17.341  1.00 23.37    -0.370 N 
-ATOM   6244 1HE2 GLN D  12      61.204  91.394  17.850  1.00  0.00     0.159 HD
-ATOM   6245 2HE2 GLN D  12      60.288  90.888  16.423  1.00  0.00     0.159 HD
-ATOM   6246  OE1 GLN D  12      58.122  91.729  17.204  1.00 24.32    -0.274 OA
-ATOM   6247  N   THR D  13      61.257  96.805  19.373  1.00 22.46    -0.344 N 
-ATOM   6248  HN  THR D  13      61.953  96.387  19.990  1.00  0.00     0.163 HD
-ATOM   6249  CA  THR D  13      60.962  98.250  19.454  1.00 22.76     0.205 C 
-ATOM   6250  C   THR D  13      62.123  99.227  19.610  1.00 23.81     0.243 C 
-ATOM   6251  O   THR D  13      61.928 100.452  19.519  1.00 23.89    -0.271 OA
-ATOM   6252  CB  THR D  13      60.006  98.520  20.605  1.00 22.48     0.146 C 
-ATOM   6253  CG2 THR D  13      58.762  97.574  20.555  1.00 20.25     0.042 C 
-ATOM   6254  OG1 THR D  13      60.676  98.212  21.842  1.00 22.69    -0.393 OA
-ATOM   6255  HG1 THR D  13      60.079  98.381  22.561  1.00  0.00     0.210 HD
-ATOM   6256  N   SER D  14      63.308  98.717  19.939  1.00 25.12    -0.344 N 
-ATOM   6257  HN  SER D  14      63.386  97.736  20.206  1.00  0.00     0.163 HD
-ATOM   6258  CA  SER D  14      64.485  99.560  19.917  1.00 26.63     0.200 C 
-ATOM   6259  C   SER D  14      64.744  99.822  18.431  1.00 26.89     0.243 C 
-ATOM   6260  O   SER D  14      64.648  98.907  17.553  1.00 28.02    -0.271 OA
-ATOM   6261  CB  SER D  14      65.687  98.873  20.533  1.00 26.38     0.199 C 
-ATOM   6262  OG  SER D  14      66.060  97.823  19.671  1.00 30.72    -0.398 OA
-ATOM   6263  HG  SER D  14      66.814  97.392  20.057  1.00  0.00     0.209 HD
-ATOM   6264  N   ARG D  15      65.041 101.075  18.141  1.00 25.62    -0.346 N 
-ATOM   6265  HN  ARG D  15      65.100 101.776  18.880  1.00  0.00     0.163 HD
-ATOM   6266  CA  ARG D  15      65.280 101.440  16.770  1.00 23.46     0.176 C 
-ATOM   6267  C   ARG D  15      66.785 101.684  16.666  1.00 21.33     0.243 C 
-ATOM   6268  O   ARG D  15      67.271 102.759  16.949  1.00 21.47    -0.271 OA
-ATOM   6269  CB  ARG D  15      64.412 102.624  16.424  1.00 23.25     0.036 C 
-ATOM   6270  CG  ARG D  15      62.948 102.375  16.750  1.00 24.57     0.023 C 
-ATOM   6271  CD  ARG D  15      62.014 102.457  15.570  1.00 26.80     0.138 C 
-ATOM   6272  NE  ARG D  15      62.673 103.008  14.376  1.00 30.19    -0.227 N 
-ATOM   6273  HE  ARG D  15      63.561 102.595  14.092  1.00  0.00     0.177 HD
-ATOM   6274  CZ  ARG D  15      62.190 104.012  13.636  1.00 27.94     0.665 C 
-ATOM   6275  NH1 ARG D  15      61.031 104.574  13.960  1.00 29.67    -0.235 N 
-ATOM   6276 1HH1 ARG D  15      60.663 105.340  13.396  1.00  0.00     0.174 HD
-ATOM   6277 2HH1 ARG D  15      60.514 104.230  14.769  1.00  0.00     0.174 HD
-ATOM   6278  NH2 ARG D  15      62.866 104.462  12.578  1.00 22.90    -0.235 N 
-ATOM   6279 1HH2 ARG D  15      62.498 105.228  12.014  1.00  0.00     0.174 HD
-ATOM   6280 2HH2 ARG D  15      63.756 104.030  12.329  1.00  0.00     0.174 HD
-ATOM   6281  N   PRO D  16      67.513 100.643  16.306  1.00 19.91    -0.337 N 
-ATOM   6282  CA  PRO D  16      68.981 100.667  16.322  1.00 18.91     0.179 C 
-ATOM   6283  C   PRO D  16      69.597 101.707  15.374  1.00 18.60     0.241 C 
-ATOM   6284  O   PRO D  16      70.748 102.078  15.613  1.00 17.29    -0.271 OA
-ATOM   6285  CB  PRO D  16      69.370  99.237  15.916  1.00 18.40     0.037 C 
-ATOM   6286  CG  PRO D  16      68.163  98.689  15.188  1.00 18.40     0.022 C 
-ATOM   6287  CD  PRO D  16      66.983  99.346  15.837  1.00 20.07     0.127 C 
-ATOM   6288  N   ASP D  17      68.862 102.168  14.354  1.00 18.67    -0.346 N 
-ATOM   6289  HN  ASP D  17      67.939 101.775  14.169  1.00  0.00     0.163 HD
-ATOM   6290  CA  ASP D  17      69.386 103.232  13.511  1.00 19.42     0.186 C 
-ATOM   6291  C   ASP D  17      69.002 104.650  13.971  1.00 18.58     0.241 C 
-ATOM   6292  O   ASP D  17      69.393 105.620  13.342  1.00 17.89    -0.271 OA
-ATOM   6293  CB  ASP D  17      69.052 102.987  12.031  1.00 20.36     0.147 C 
-ATOM   6294  CG  ASP D  17      67.565 103.076  11.724  1.00 27.02     0.175 C 
-ATOM   6295  OD1 ASP D  17      66.747 103.008  12.679  1.00 33.31    -0.648 OA
-ATOM   6296  OD2 ASP D  17      67.094 103.180  10.546  1.00 33.01    -0.648 OA
-ATOM   6297  N   VAL D  18      68.251 104.763  15.065  1.00 17.75    -0.346 N 
-ATOM   6298  HN  VAL D  18      68.039 103.923  15.604  1.00  0.00     0.163 HD
-ATOM   6299  CA  VAL D  18      67.716 106.054  15.526  1.00 17.33     0.180 C 
-ATOM   6300  C   VAL D  18      68.412 106.522  16.799  1.00 17.59     0.241 C 
-ATOM   6301  O   VAL D  18      68.321 105.872  17.862  1.00 17.09    -0.271 OA
-ATOM   6302  CB  VAL D  18      66.188 105.970  15.767  1.00 17.46     0.009 C 
-ATOM   6303  CG1 VAL D  18      65.633 107.274  16.315  1.00 17.07     0.012 C 
-ATOM   6304  CG2 VAL D  18      65.453 105.559  14.470  1.00 16.05     0.012 C 
-ATOM   6305  N   ILE D  19      69.132 107.634  16.699  1.00 17.75    -0.346 N 
-ATOM   6306  HN  ILE D  19      69.182 108.120  15.804  1.00  0.00     0.163 HD
-ATOM   6307  CA  ILE D  19      69.860 108.177  17.860  1.00 18.14     0.180 C 
-ATOM   6308  C   ILE D  19      68.815 108.595  18.913  1.00 19.05     0.243 C 
-ATOM   6309  O   ILE D  19      67.849 109.276  18.568  1.00 18.67    -0.271 OA
-ATOM   6310  CB  ILE D  19      70.778 109.364  17.433  1.00 18.00     0.013 C 
-ATOM   6311  CG1 ILE D  19      71.535 109.956  18.639  1.00 17.23     0.002 C 
-ATOM   6312  CG2 ILE D  19      70.002 110.419  16.654  1.00 16.83     0.012 C 
-ATOM   6313  CD1 ILE D  19      72.537 110.990  18.289  1.00 15.85     0.005 C 
-ATOM   6314  N   PRO D  20      68.976 108.146  20.168  1.00 20.05    -0.337 N 
-ATOM   6315  CA  PRO D  20      67.945 108.333  21.205  1.00 21.31     0.179 C 
-ATOM   6316  C   PRO D  20      67.965 109.758  21.789  1.00 22.79     0.241 C 
-ATOM   6317  O   PRO D  20      68.037 109.961  23.004  1.00 22.87    -0.271 OA
-ATOM   6318  CB  PRO D  20      68.333 107.318  22.279  1.00 20.61     0.037 C 
-ATOM   6319  CG  PRO D  20      69.831 107.244  22.186  1.00 20.58     0.022 C 
-ATOM   6320  CD  PRO D  20      70.132 107.391  20.692  1.00 20.54     0.127 C 
-ATOM   6321  N   THR D  21      67.903 110.726  20.895  1.00 24.68    -0.344 N 
-ATOM   6322  HN  THR D  21      67.881 110.473  19.907  1.00  0.00     0.163 HD
-ATOM   6323  CA  THR D  21      67.865 112.128  21.246  1.00 27.30     0.205 C 
-ATOM   6324  C   THR D  21      66.543 112.428  21.966  1.00 28.63     0.243 C 
-ATOM   6325  O   THR D  21      65.513 111.861  21.608  1.00 29.00    -0.271 OA
-ATOM   6326  CB  THR D  21      67.971 112.940  19.926  1.00 27.17     0.146 C 
-ATOM   6327  CG2 THR D  21      67.068 114.129  19.947  1.00 28.74     0.042 C 
-ATOM   6328  OG1 THR D  21      69.285 113.516  19.816  1.00 28.61    -0.393 OA
-ATOM   6329  HG1 THR D  21      69.860 112.760  19.803  1.00  0.00     0.210 HD
-ATOM   6330  N   GLN D  22      66.549 113.322  22.953  1.00 29.02    -0.346 N 
-ATOM   6331  HN  GLN D  22      67.431 113.695  23.304  1.00  0.00     0.163 HD
-ATOM   6332  CA  GLN D  22      65.282 113.763  23.527  1.00 29.84     0.177 C 
-ATOM   6333  C   GLN D  22      65.232 115.290  23.542  1.00 29.70     0.241 C 
-ATOM   6334  O   GLN D  22      66.239 115.940  23.848  1.00 28.55    -0.271 OA
-ATOM   6335  CB  GLN D  22      65.064 113.176  24.931  1.00 30.67     0.044 C 
-ATOM   6336  CG  GLN D  22      64.267 111.847  24.978  1.00 32.98     0.105 C 
-ATOM   6337  CD  GLN D  22      63.532 111.654  26.310  1.00 37.42     0.215 C 
-ATOM   6338  NE2 GLN D  22      62.491 112.470  26.541  1.00 38.24    -0.370 N 
-ATOM   6339 1HE2 GLN D  22      62.002 112.342  27.427  1.00  0.00     0.159 HD
-ATOM   6340 2HE2 GLN D  22      62.180 113.172  25.870  1.00  0.00     0.159 HD
-ATOM   6341  OE1 GLN D  22      63.910 110.801  27.126  1.00 37.97    -0.274 OA
-ATOM   6342  N   ARG D  23      64.056 115.836  23.203  1.00 29.49    -0.346 N 
-ATOM   6343  HN  ARG D  23      63.263 115.210  23.063  1.00  0.00     0.163 HD
-ATOM   6344  CA  ARG D  23      63.831 117.283  23.018  1.00 29.90     0.176 C 
-ATOM   6345  C   ARG D  23      65.060 118.103  22.549  1.00 29.58     0.241 C 
-ATOM   6346  O   ARG D  23      65.545 118.963  23.285  1.00 29.67    -0.271 OA
-ATOM   6347  CB  ARG D  23      63.157 117.928  24.255  1.00 30.04     0.036 C 
-ATOM   6348  CG  ARG D  23      63.386 117.214  25.622  1.00 30.43     0.023 C 
-ATOM   6349  CD  ARG D  23      64.756 117.494  26.249  1.00 32.27     0.138 C 
-ATOM   6350  NE  ARG D  23      64.845 117.214  27.688  1.00 35.55    -0.227 N 
-ATOM   6351  HE  ARG D  23      64.366 117.854  28.322  1.00  0.00     0.177 HD
-ATOM   6352  CZ  ARG D  23      65.504 116.187  28.231  1.00 36.74     0.665 C 
-ATOM   6353  NH1 ARG D  23      66.140 115.289  27.469  1.00 37.72    -0.235 N 
-ATOM   6354 1HH1 ARG D  23      66.643 114.505  27.884  1.00  0.00     0.174 HD
-ATOM   6355 2HH1 ARG D  23      66.121 115.386  26.454  1.00  0.00     0.174 HD
-ATOM   6356  NH2 ARG D  23      65.529 116.061  29.550  1.00 37.74    -0.235 N 
-ATOM   6357 1HH2 ARG D  23      66.032 115.277  29.965  1.00  0.00     0.174 HD
-ATOM   6358 2HH2 ARG D  23      65.044 116.745  30.131  1.00  0.00     0.174 HD
-ATOM   6359  N   ASP D  24      65.557 117.804  21.340  1.00 29.25    -0.346 N 
-ATOM   6360  HN  ASP D  24      65.175 116.994  20.852  1.00  0.00     0.163 HD
-ATOM   6361  CA  ASP D  24      66.629 118.580  20.670  1.00 29.08     0.186 C 
-ATOM   6362  C   ASP D  24      67.913 118.737  21.527  1.00 28.03     0.241 C 
-ATOM   6363  O   ASP D  24      68.598 119.783  21.486  1.00 27.71    -0.271 OA
-ATOM   6364  CB  ASP D  24      66.080 119.954  20.175  1.00 29.49     0.147 C 
-ATOM   6365  CG  ASP D  24      67.079 120.739  19.271  1.00 31.17     0.175 C 
-ATOM   6366  OD1 ASP D  24      68.056 120.146  18.750  1.00 32.21    -0.648 OA
-ATOM   6367  OD2 ASP D  24      66.953 121.972  19.027  1.00 31.45    -0.648 OA
-ATOM   6368  N   ARG D  25      68.224 117.701  22.299  1.00 25.98    -0.346 N 
-ATOM   6369  HN  ARG D  25      67.637 116.867  22.269  1.00  0.00     0.163 HD
-ATOM   6370  CA  ARG D  25      69.388 117.721  23.194  1.00 25.05     0.176 C 
-ATOM   6371  C   ARG D  25      70.339 116.591  22.844  1.00 23.54     0.243 C 
-ATOM   6372  O   ARG D  25      69.869 115.510  22.468  1.00 22.81    -0.271 OA
-ATOM   6373  CB  ARG D  25      68.961 117.585  24.663  1.00 25.45     0.036 C 
-ATOM   6374  CG  ARG D  25      68.353 118.845  25.285  1.00 24.83     0.023 C 
-ATOM   6375  CD  ARG D  25      68.233 118.780  26.814  1.00 26.87     0.138 C 
-ATOM   6376  NE  ARG D  25      67.469 119.904  27.357  1.00 30.39    -0.227 N 
-ATOM   6377  HE  ARG D  25      66.455 119.809  27.406  1.00  0.00     0.177 HD
-ATOM   6378  CZ  ARG D  25      68.013 121.054  27.796  1.00 32.54     0.665 C 
-ATOM   6379  NH1 ARG D  25      69.338 121.234  27.777  1.00 32.06    -0.235 N 
-ATOM   6380 1HH1 ARG D  25      69.750 122.106  28.110  1.00  0.00     0.174 HD
-ATOM   6381 2HH1 ARG D  25      69.937 120.489  27.422  1.00  0.00     0.174 HD
-ATOM   6382  NH2 ARG D  25      67.230 122.027  28.260  1.00 30.44    -0.235 N 
-ATOM   6383 1HH2 ARG D  25      67.642 122.899  28.593  1.00  0.00     0.174 HD
-ATOM   6384 2HH2 ARG D  25      66.219 121.890  28.274  1.00  0.00     0.174 HD
-ATOM   6385  N   PRO D  26      71.658 116.815  22.976  1.00 22.65    -0.337 N 
-ATOM   6386  CA  PRO D  26      72.621 115.783  22.573  1.00 20.94     0.179 C 
-ATOM   6387  C   PRO D  26      72.542 114.566  23.478  1.00 19.82     0.241 C 
-ATOM   6388  O   PRO D  26      72.294 114.729  24.650  1.00 19.35    -0.271 OA
-ATOM   6389  CB  PRO D  26      73.982 116.479  22.711  1.00 21.08     0.037 C 
-ATOM   6390  CG  PRO D  26      73.755 117.637  23.634  1.00 21.58     0.022 C 
-ATOM   6391  CD  PRO D  26      72.326 118.033  23.496  1.00 22.24     0.127 C 
-ATOM   6392  N   VAL D  27      72.713 113.371  22.924  1.00 18.46    -0.346 N 
-ATOM   6393  HN  VAL D  27      72.672 113.291  21.908  1.00  0.00     0.163 HD
-ATOM   6394  CA  VAL D  27      72.957 112.169  23.714  1.00 17.85     0.180 C 
-ATOM   6395  C   VAL D  27      74.346 112.279  24.340  1.00 17.35     0.241 C 
-ATOM   6396  O   VAL D  27      75.342 112.351  23.621  1.00 17.05    -0.271 OA
-ATOM   6397  CB  VAL D  27      72.916 110.889  22.820  1.00 17.88     0.009 C 
-ATOM   6398  CG1 VAL D  27      73.295 109.650  23.629  1.00 17.55     0.012 C 
-ATOM   6399  CG2 VAL D  27      71.541 110.714  22.195  1.00 17.67     0.012 C 
-ATOM   6400  N   ALA D  28      74.402 112.298  25.672  1.00 16.56    -0.346 N 
-ATOM   6401  HN  ALA D  28      73.528 112.307  26.198  1.00  0.00     0.163 HD
-ATOM   6402  CA  ALA D  28      75.665 112.306  26.410  1.00 16.09     0.172 C 
-ATOM   6403  C   ALA D  28      76.333 110.924  26.432  1.00 16.06     0.240 C 
-ATOM   6404  O   ALA D  28      75.841 109.994  27.074  1.00 15.86    -0.271 OA
-ATOM   6405  CB  ALA D  28      75.450 112.813  27.833  1.00 15.61     0.042 C 
-ATOM   6406  N   VAL D  29      77.464 110.791  25.742  1.00 16.04    -0.346 N 
-ATOM   6407  HN  VAL D  29      77.838 111.594  25.236  1.00  0.00     0.163 HD
-ATOM   6408  CA  VAL D  29      78.182 109.515  25.695  1.00 16.44     0.180 C 
-ATOM   6409  C   VAL D  29      79.474 109.609  26.497  1.00 17.43     0.241 C 
-ATOM   6410  O   VAL D  29      80.253 110.519  26.278  1.00 17.83    -0.271 OA
-ATOM   6411  CB  VAL D  29      78.493 109.111  24.228  1.00 16.49     0.009 C 
-ATOM   6412  CG1 VAL D  29      79.304 107.805  24.135  1.00 14.79     0.012 C 
-ATOM   6413  CG2 VAL D  29      77.203 109.012  23.414  1.00 15.62     0.012 C 
-ATOM   6414  N   SER D  30      79.675 108.721  27.464  1.00 17.91    -0.344 N 
-ATOM   6415  HN  SER D  30      78.933 108.061  27.698  1.00  0.00     0.163 HD
-ATOM   6416  CA  SER D  30      80.932 108.670  28.198  1.00 19.19     0.200 C 
-ATOM   6417  C   SER D  30      81.780 107.584  27.617  1.00 19.27     0.243 C 
-ATOM   6418  O   SER D  30      81.278 106.494  27.352  1.00 19.91    -0.271 OA
-ATOM   6419  CB  SER D  30      80.722 108.369  29.680  1.00 18.66     0.199 C 
-ATOM   6420  OG  SER D  30      79.786 109.274  30.225  1.00 21.41    -0.398 OA
-ATOM   6421  HG  SER D  30      79.655 109.087  31.147  1.00  0.00     0.209 HD
-ATOM   6422  N   VAL D  31      83.048 107.889  27.397  1.00 19.78    -0.346 N 
-ATOM   6423  HN  VAL D  31      83.359 108.842  27.583  1.00  0.00     0.163 HD
-ATOM   6424  CA  VAL D  31      84.028 106.915  26.897  1.00 21.08     0.180 C 
-ATOM   6425  C   VAL D  31      85.264 106.933  27.752  1.00 21.25     0.241 C 
-ATOM   6426  O   VAL D  31      85.708 108.002  28.229  1.00 21.58    -0.271 OA
-ATOM   6427  CB  VAL D  31      84.554 107.236  25.464  1.00 21.82     0.009 C 
-ATOM   6428  CG1 VAL D  31      85.037 105.946  24.774  1.00 21.11     0.012 C 
-ATOM   6429  CG2 VAL D  31      83.538 107.972  24.631  1.00 22.34     0.012 C 
-ATOM   6430  N   SER D  32      85.843 105.757  27.922  1.00 21.52    -0.344 N 
-ATOM   6431  HN  SER D  32      85.458 104.942  27.444  1.00  0.00     0.163 HD
-ATOM   6432  CA  SER D  32      87.010 105.590  28.768  1.00 22.66     0.200 C 
-ATOM   6433  C   SER D  32      87.688 104.352  28.246  1.00 22.73     0.243 C 
-ATOM   6434  O   SER D  32      87.002 103.349  27.953  1.00 22.62    -0.271 OA
-ATOM   6435  CB  SER D  32      86.562 105.401  30.207  1.00 22.90     0.199 C 
-ATOM   6436  OG  SER D  32      87.651 105.010  31.031  1.00 27.45    -0.398 OA
-ATOM   6437  HG  SER D  32      87.371 104.892  31.931  1.00  0.00     0.209 HD
-ATOM   6438  N   LEU D  33      89.009 104.437  28.042  1.00 22.39    -0.346 N 
-ATOM   6439  HN  LEU D  33      89.491 105.309  28.260  1.00  0.00     0.163 HD
-ATOM   6440  CA  LEU D  33      89.779 103.305  27.512  1.00 21.65     0.177 C 
-ATOM   6441  C   LEU D  33      90.523 102.694  28.657  1.00 21.70     0.241 C 
-ATOM   6442  O   LEU D  33      91.237 103.390  29.391  1.00 21.74    -0.271 OA
-ATOM   6443  CB  LEU D  33      90.747 103.727  26.408  1.00 21.40     0.038 C 
-ATOM   6444  CG  LEU D  33      90.198 104.508  25.206  1.00 21.45    -0.020 C 
-ATOM   6445  CD1 LEU D  33      91.234 104.637  24.072  1.00 19.72     0.009 C 
-ATOM   6446  CD2 LEU D  33      88.905 103.911  24.667  1.00 20.73     0.009 C 
-ATOM   6447  N   LYS D  34      90.327 101.400  28.865  1.00 21.19    -0.346 N 
-ATOM   6448  HN  LYS D  34      89.635 100.892  28.314  1.00  0.00     0.163 HD
-ATOM   6449  CA  LYS D  34      91.112 100.699  29.895  1.00 20.32     0.176 C 
-ATOM   6450  C   LYS D  34      92.124  99.874  29.163  1.00 19.53     0.241 C 
-ATOM   6451  O   LYS D  34      91.754  98.933  28.498  1.00 19.40    -0.271 OA
-ATOM   6452  CB  LYS D  34      90.240  99.796  30.741  1.00 20.86     0.035 C 
-ATOM   6453  CG  LYS D  34      88.949 100.393  31.181  1.00 23.39     0.004 C 
-ATOM   6454  CD  LYS D  34      89.135 101.331  32.374  1.00 27.48     0.027 C 
-ATOM   6455  CE  LYS D  34      87.875 102.204  32.554  1.00 30.43     0.229 C 
-ATOM   6456  NZ  LYS D  34      88.037 103.280  33.583  1.00 33.37    -0.079 N 
-ATOM   6457  HZ1 LYS D  34      87.204 103.857  33.702  1.00  0.00     0.274 HD
-ATOM   6458  HZ2 LYS D  34      88.851 103.859  33.376  1.00  0.00     0.274 HD
-ATOM   6459  HZ3 LYS D  34      88.333 102.885  34.475  1.00  0.00     0.274 HD
-ATOM   6460  N   PHE D  35      93.395 100.242  29.268  1.00 18.51    -0.346 N 
-ATOM   6461  HN  PHE D  35      93.639 101.010  29.893  1.00  0.00     0.163 HD
-ATOM   6462  CA  PHE D  35      94.446  99.581  28.518  1.00 17.45     0.180 C 
-ATOM   6463  C   PHE D  35      94.796  98.232  29.113  1.00 16.93     0.241 C 
-ATOM   6464  O   PHE D  35      95.004  98.106  30.321  1.00 16.76    -0.271 OA
-ATOM   6465  CB  PHE D  35      95.660 100.501  28.367  1.00 16.91     0.073 C 
-ATOM   6466  CG  PHE D  35      95.377 101.705  27.515  1.00 17.65    -0.056 A 
-ATOM   6467  CD1 PHE D  35      95.386 101.599  26.138  1.00 18.05     0.007 A 
-ATOM   6468  CD2 PHE D  35      95.051 102.942  28.089  1.00 18.29     0.007 A 
-ATOM   6469  CE1 PHE D  35      95.118 102.711  25.345  1.00 19.06     0.001 A 
-ATOM   6470  CE2 PHE D  35      94.762 104.061  27.281  1.00 17.96     0.001 A 
-ATOM   6471  CZ  PHE D  35      94.805 103.935  25.917  1.00 18.06     0.000 A 
-ATOM   6472  N   ILE D  36      94.849  97.218  28.262  1.00 16.23    -0.346 N 
-ATOM   6473  HN  ILE D  36      94.684  97.390  27.270  1.00  0.00     0.163 HD
-ATOM   6474  CA  ILE D  36      95.138  95.863  28.713  1.00 16.01     0.180 C 
-ATOM   6475  C   ILE D  36      96.531  95.436  28.267  1.00 16.51     0.241 C 
-ATOM   6476  O   ILE D  36      97.276  94.808  29.017  1.00 15.75    -0.271 OA
-ATOM   6477  CB  ILE D  36      94.064  94.875  28.158  1.00 16.54     0.013 C 
-ATOM   6478  CG1 ILE D  36      92.643  95.455  28.324  1.00 15.66     0.002 C 
-ATOM   6479  CG2 ILE D  36      94.266  93.435  28.750  1.00 14.54     0.012 C 
-ATOM   6480  CD1 ILE D  36      92.262  95.800  29.782  1.00 14.03     0.005 C 
-ATOM   6481  N   ASN D  37      96.880  95.780  27.034  1.00 16.84    -0.346 N 
-ATOM   6482  HN  ASN D  37      96.223  96.296  26.448  1.00  0.00     0.163 HD
-ATOM   6483  CA  ASN D  37      98.183  95.431  26.512  1.00 18.28     0.185 C 
-ATOM   6484  C   ASN D  37      98.651  96.373  25.429  1.00 18.86     0.241 C 
-ATOM   6485  O   ASN D  37      97.826  97.028  24.771  1.00 19.02    -0.271 OA
-ATOM   6486  CB  ASN D  37      98.201  93.997  25.989  1.00 17.75     0.137 C 
-ATOM   6487  CG  ASN D  37      99.374  93.208  26.531  1.00 20.08     0.217 C 
-ATOM   6488  ND2 ASN D  37      99.066  92.032  27.067  1.00 16.69    -0.370 N 
-ATOM   6489 1HD2 ASN D  37      99.856  91.500  27.432  1.00  0.00     0.159 HD
-ATOM   6490 2HD2 ASN D  37      98.112  91.673  27.103  1.00  0.00     0.159 HD
-ATOM   6491  OD1 ASN D  37     100.568  93.658  26.486  1.00 19.49    -0.274 OA
-ATOM   6492  N   ILE D  38      99.974  96.472  25.304  1.00 19.17    -0.346 N 
-ATOM   6493  HN  ILE D  38     100.562  96.055  26.025  1.00  0.00     0.163 HD
-ATOM   6494  CA  ILE D  38     100.619  97.145  24.190  1.00 19.64     0.180 C 
-ATOM   6495  C   ILE D  38     101.473  96.063  23.536  1.00 20.16     0.241 C 
-ATOM   6496  O   ILE D  38     102.383  95.526  24.157  1.00 20.26    -0.271 OA
-ATOM   6497  CB  ILE D  38     101.482  98.318  24.696  1.00 19.83     0.013 C 
-ATOM   6498  CG1 ILE D  38     100.604  99.366  25.395  1.00 19.73     0.002 C 
-ATOM   6499  CG2 ILE D  38     102.224  98.928  23.545  1.00 19.40     0.012 C 
-ATOM   6500  CD1 ILE D  38     101.334 100.284  26.336  1.00 19.84     0.005 C 
-ATOM   6501  N   LEU D  39     101.150  95.716  22.302  1.00 20.93    -0.346 N 
-ATOM   6502  HN  LEU D  39     100.516  96.304  21.761  1.00  0.00     0.163 HD
-ATOM   6503  CA  LEU D  39     101.690  94.504  21.711  1.00 21.88     0.177 C 
-ATOM   6504  C   LEU D  39     102.890  94.779  20.815  1.00 22.59     0.241 C 
-ATOM   6505  O   LEU D  39     103.757  93.904  20.637  1.00 23.43    -0.271 OA
-ATOM   6506  CB  LEU D  39     100.616  93.784  20.901  1.00 21.65     0.038 C 
-ATOM   6507  CG  LEU D  39      99.372  93.483  21.752  1.00 23.11    -0.020 C 
-ATOM   6508  CD1 LEU D  39      98.220  93.044  20.902  1.00 23.64     0.009 C 
-ATOM   6509  CD2 LEU D  39      99.677  92.435  22.819  1.00 23.24     0.009 C 
-ATOM   6510  N   GLU D  40     102.911  95.965  20.228  1.00 22.48    -0.346 N 
-ATOM   6511  HN  GLU D  40     102.188  96.648  20.455  1.00  0.00     0.163 HD
-ATOM   6512  CA  GLU D  40     103.933  96.310  19.277  1.00 23.00     0.177 C 
-ATOM   6513  C   GLU D  40     104.038  97.824  19.209  1.00 22.35     0.241 C 
-ATOM   6514  O   GLU D  40     103.037  98.532  19.225  1.00 22.30    -0.271 OA
-ATOM   6515  CB  GLU D  40     103.628  95.744  17.892  1.00 23.32     0.045 C 
-ATOM   6516  CG  GLU D  40     104.796  95.915  16.913  1.00 27.30     0.116 C 
-ATOM   6517  CD  GLU D  40     104.543  95.326  15.531  1.00 31.95     0.172 C 
-ATOM   6518  OE1 GLU D  40     103.372  95.323  15.064  1.00 32.91    -0.648 OA
-ATOM   6519  OE2 GLU D  40     105.536  94.862  14.917  1.00 33.63    -0.648 OA
-ATOM   6520  N   VAL D  41     105.272  98.298  19.123  1.00 21.42    -0.346 N 
-ATOM   6521  HN  VAL D  41     106.047  97.637  19.072  1.00  0.00     0.163 HD
-ATOM   6522  CA  VAL D  41     105.564  99.703  19.099  1.00 20.74     0.180 C 
-ATOM   6523  C   VAL D  41     106.694  99.844  18.088  1.00 20.55     0.241 C 
-ATOM   6524  O   VAL D  41     107.583  99.001  18.020  1.00 19.82    -0.271 OA
-ATOM   6525  CB  VAL D  41     105.973 100.150  20.516  1.00 21.09     0.009 C 
-ATOM   6526  CG1 VAL D  41     106.982 101.256  20.493  1.00 20.92     0.012 C 
-ATOM   6527  CG2 VAL D  41     104.758 100.541  21.338  1.00 20.56     0.012 C 
-ATOM   6528  N   ASN D  42     106.641 100.897  17.278  1.00 20.66    -0.346 N 
-ATOM   6529  HN  ASN D  42     105.867 101.555  17.368  1.00  0.00     0.163 HD
-ATOM   6530  CA  ASN D  42     107.660 101.134  16.266  1.00 20.45     0.185 C 
-ATOM   6531  C   ASN D  42     108.003 102.599  16.298  1.00 20.76     0.241 C 
-ATOM   6532  O   ASN D  42     107.196 103.447  15.927  1.00 20.48    -0.271 OA
-ATOM   6533  CB  ASN D  42     107.158 100.717  14.887  1.00 20.38     0.137 C 
-ATOM   6534  CG  ASN D  42     108.262 100.699  13.843  1.00 20.78     0.217 C 
-ATOM   6535  ND2 ASN D  42     108.232  99.712  12.942  1.00 19.17    -0.370 N 
-ATOM   6536 1HD2 ASN D  42     108.973  99.700  12.241  1.00  0.00     0.159 HD
-ATOM   6537 2HD2 ASN D  42     107.519  98.982  12.950  1.00  0.00     0.159 HD
-ATOM   6538  OD1 ASN D  42     109.114 101.571  13.833  1.00 21.46    -0.274 OA
-ATOM   6539  N   GLU D  43     109.205 102.898  16.777  1.00 21.34    -0.346 N 
-ATOM   6540  HN  GLU D  43     109.850 102.141  17.004  1.00  0.00     0.163 HD
-ATOM   6541  CA  GLU D  43     109.627 104.267  16.986  1.00 21.86     0.177 C 
-ATOM   6542  C   GLU D  43     110.013 104.926  15.653  1.00 21.96     0.241 C 
-ATOM   6543  O   GLU D  43     110.016 106.155  15.544  1.00 21.64    -0.271 OA
-ATOM   6544  CB  GLU D  43     110.788 104.329  18.008  1.00 22.43     0.045 C 
-ATOM   6545  CG  GLU D  43     110.775 105.578  18.896  1.00 24.30     0.116 C 
-ATOM   6546  CD  GLU D  43     111.952 105.675  19.876  1.00 27.32     0.172 C 
-ATOM   6547  OE1 GLU D  43     112.440 104.628  20.376  1.00 28.73    -0.648 OA
-ATOM   6548  OE2 GLU D  43     112.390 106.821  20.163  1.00 27.61    -0.648 OA
-ATOM   6549  N   ILE D  44     110.341 104.112  14.646  1.00 21.92    -0.346 N 
-ATOM   6550  HN  ILE D  44     110.375 103.105  14.806  1.00  0.00     0.163 HD
-ATOM   6551  CA  ILE D  44     110.653 104.641  13.313  1.00 22.01     0.180 C 
-ATOM   6552  C   ILE D  44     109.361 105.110  12.637  1.00 21.64     0.241 C 
-ATOM   6553  O   ILE D  44     109.292 106.239  12.172  1.00 21.69    -0.271 OA
-ATOM   6554  CB  ILE D  44     111.414 103.593  12.424  1.00 22.37     0.013 C 
-ATOM   6555  CG1 ILE D  44     112.702 103.087  13.108  1.00 23.03     0.002 C 
-ATOM   6556  CG2 ILE D  44     111.724 104.165  11.013  1.00 22.53     0.012 C 
-ATOM   6557  CD1 ILE D  44     113.714 104.175  13.491  1.00 24.15     0.005 C 
-ATOM   6558  N   THR D  45     108.328 104.256  12.626  1.00 21.01    -0.344 N 
-ATOM   6559  HN  THR D  45     108.404 103.370  13.125  1.00  0.00     0.163 HD
-ATOM   6560  CA  THR D  45     107.094 104.575  11.910  1.00 20.33     0.205 C 
-ATOM   6561  C   THR D  45     106.100 105.353  12.748  1.00 19.82     0.243 C 
-ATOM   6562  O   THR D  45     105.167 105.908  12.213  1.00 19.99    -0.271 OA
-ATOM   6563  CB  THR D  45     106.438 103.328  11.302  1.00 20.40     0.146 C 
-ATOM   6564  CG2 THR D  45     107.445 102.538  10.454  1.00 20.30     0.042 C 
-ATOM   6565  OG1 THR D  45     106.091 102.401  12.342  1.00 21.13    -0.393 OA
-ATOM   6566  HG1 THR D  45     105.468 102.890  12.867  1.00  0.00     0.210 HD
-ATOM   6567  N   ASN D  46     106.335 105.435  14.055  1.00 19.49    -0.345 N 
-ATOM   6568  HN  ASN D  46     107.206 105.050  14.420  1.00  0.00     0.163 HD
-ATOM   6569  CA  ASN D  46     105.398 106.053  14.990  1.00 18.86     0.185 C 
-ATOM   6570  C   ASN D  46     104.041 105.352  14.988  1.00 18.71     0.241 C 
-ATOM   6571  O   ASN D  46     103.010 105.964  14.788  1.00 18.48    -0.271 OA
-ATOM   6572  CB  ASN D  46     105.255 107.548  14.693  1.00 18.47     0.137 C 
-ATOM   6573  CG  ASN D  46     106.219 108.381  15.473  1.00 18.26     0.217 C 
-ATOM   6574  ND2 ASN D  46     106.654 109.475  14.882  1.00 15.62    -0.370 N 
-ATOM   6575 1HD2 ASN D  46     107.312 110.044  15.415  1.00  0.00     0.159 HD
-ATOM   6576 2HD2 ASN D  46     106.358 109.752  13.946  1.00  0.00     0.159 HD
-ATOM   6577  OD1 ASN D  46     106.576 108.047  16.601  1.00 17.53    -0.274 OA
-ATOM   6578  N   GLU D  47     104.064 104.041  15.183  1.00 19.22    -0.346 N 
-ATOM   6579  HN  GLU D  47     104.962 103.591  15.361  1.00  0.00     0.163 HD
-ATOM   6580  CA  GLU D  47     102.863 103.213  15.154  1.00 19.43     0.177 C 
-ATOM   6581  C   GLU D  47     102.896 102.331  16.374  1.00 19.61     0.241 C 
-ATOM   6582  O   GLU D  47     103.971 101.906  16.811  1.00 19.42    -0.271 OA
-ATOM   6583  CB  GLU D  47     102.796 102.363  13.870  1.00 19.60     0.045 C 
-ATOM   6584  CG  GLU D  47     102.601 103.198  12.589  1.00 21.73     0.116 C 
-ATOM   6585  CD  GLU D  47     102.702 102.388  11.289  1.00 25.99     0.172 C 
-ATOM   6586  OE1 GLU D  47     102.472 101.153  11.350  1.00 27.99    -0.648 OA
-ATOM   6587  OE2 GLU D  47     103.006 102.973  10.198  1.00 27.94    -0.648 OA
-ATOM   6588  N   VAL D  48     101.716 102.077  16.931  1.00 19.58    -0.346 N 
-ATOM   6589  HN  VAL D  48     100.886 102.503  16.518  1.00  0.00     0.163 HD
-ATOM   6590  CA  VAL D  48     101.542 101.221  18.102  1.00 20.04     0.180 C 
-ATOM   6591  C   VAL D  48     100.338 100.319  17.887  1.00 20.24     0.241 C 
-ATOM   6592  O   VAL D  48      99.344 100.728  17.281  1.00 19.86    -0.271 OA
-ATOM   6593  CB  VAL D  48     101.366 102.034  19.468  1.00 20.06     0.009 C 
-ATOM   6594  CG1 VAL D  48     102.496 102.967  19.703  1.00 20.59     0.012 C 
-ATOM   6595  CG2 VAL D  48     100.073 102.828  19.500  1.00 21.01     0.012 C 
-ATOM   6596  N   ASP D  49     100.454  99.092  18.383  1.00 20.68    -0.345 N 
-ATOM   6597  HN  ASP D  49     101.343  98.835  18.812  1.00  0.00     0.163 HD
-ATOM   6598  CA  ASP D  49      99.403  98.092  18.357  1.00 21.42     0.186 C 
-ATOM   6599  C   ASP D  49      98.961  97.897  19.825  1.00 21.09     0.241 C 
-ATOM   6600  O   ASP D  49      99.798  97.615  20.700  1.00 20.40    -0.271 OA
-ATOM   6601  CB  ASP D  49     100.013  96.804  17.796  1.00 22.33     0.147 C 
-ATOM   6602  CG  ASP D  49      98.986  95.811  17.263  1.00 24.98     0.175 C 
-ATOM   6603  OD1 ASP D  49      97.767  95.953  17.530  1.00 28.58    -0.648 OA
-ATOM   6604  OD2 ASP D  49      99.344  94.829  16.554  1.00 28.72    -0.648 OA
-ATOM   6605  N   VAL D  50      97.669  98.099  20.107  1.00 20.73    -0.346 N 
-ATOM   6606  HN  VAL D  50      97.003  98.208  19.342  1.00  0.00     0.163 HD
-ATOM   6607  CA  VAL D  50      97.192  98.167  21.485  1.00 20.41     0.180 C 
-ATOM   6608  C   VAL D  50      95.883  97.397  21.662  1.00 19.41     0.241 C 
-ATOM   6609  O   VAL D  50      95.084  97.312  20.730  1.00 18.80    -0.271 OA
-ATOM   6610  CB  VAL D  50      96.970  99.637  21.926  1.00 20.89     0.009 C 
-ATOM   6611  CG1 VAL D  50      96.525  99.687  23.360  1.00 22.93     0.012 C 
-ATOM   6612  CG2 VAL D  50      98.224 100.429  21.808  1.00 22.30     0.012 C 
-ATOM   6613  N   VAL D  51      95.672  96.866  22.872  1.00 18.69    -0.346 N 
-ATOM   6614  HN  VAL D  51      96.430  96.904  23.553  1.00  0.00     0.163 HD
-ATOM   6615  CA  VAL D  51      94.405  96.229  23.276  1.00 17.52     0.180 C 
-ATOM   6616  C   VAL D  51      93.829  97.031  24.434  1.00 17.17     0.241 C 
-ATOM   6617  O   VAL D  51      94.513  97.255  25.429  1.00 16.89    -0.271 OA
-ATOM   6618  CB  VAL D  51      94.606  94.753  23.722  1.00 17.77     0.009 C 
-ATOM   6619  CG1 VAL D  51      93.258  94.113  24.176  1.00 17.32     0.012 C 
-ATOM   6620  CG2 VAL D  51      95.258  93.947  22.615  1.00 17.26     0.012 C 
-ATOM   6621  N   PHE D  52      92.584  97.497  24.301  1.00 16.46    -0.346 N 
-ATOM   6622  HN  PHE D  52      92.071  97.328  23.436  1.00  0.00     0.163 HD
-ATOM   6623  CA  PHE D  52      91.952  98.246  25.382  1.00 16.46     0.180 C 
-ATOM   6624  C   PHE D  52      90.480  97.822  25.514  1.00 17.64     0.241 C 
-ATOM   6625  O   PHE D  52      89.899  97.372  24.539  1.00 17.25    -0.271 OA
-ATOM   6626  CB  PHE D  52      92.050  99.746  25.094  1.00 15.56     0.073 C 
-ATOM   6627  CG  PHE D  52      91.631 100.121  23.697  1.00 17.11    -0.056 A 
-ATOM   6628  CD1 PHE D  52      92.550 100.099  22.646  1.00 18.56     0.007 A 
-ATOM   6629  CD2 PHE D  52      90.290 100.449  23.403  1.00 15.26     0.007 A 
-ATOM   6630  CE1 PHE D  52      92.146 100.439  21.303  1.00 17.96     0.001 A 
-ATOM   6631  CE2 PHE D  52      89.903 100.788  22.092  1.00 14.55     0.001 A 
-ATOM   6632  CZ  PHE D  52      90.818 100.789  21.045  1.00 13.83     0.000 A 
-ATOM   6633  N   TRP D  53      89.891  97.972  26.713  1.00 17.04    -0.346 N 
-ATOM   6634  HN  TRP D  53      90.470  98.146  27.535  1.00  0.00     0.163 HD
-ATOM   6635  CA  TRP D  53      88.446  97.891  26.865  1.00 17.36     0.181 C 
-ATOM   6636  C   TRP D  53      87.892  99.296  26.640  1.00 18.21     0.241 C 
-ATOM   6637  O   TRP D  53      88.280 100.236  27.332  1.00 17.87    -0.271 OA
-ATOM   6638  CB  TRP D  53      88.066  97.386  28.243  1.00 16.64     0.075 C 
-ATOM   6639  CG  TRP D  53      88.614  96.014  28.564  1.00 16.74    -0.028 A 
-ATOM   6640  CD1 TRP D  53      89.150  95.121  27.682  1.00 16.69     0.096 A 
-ATOM   6641  CD2 TRP D  53      88.677  95.402  29.841  1.00 16.42    -0.002 A 
-ATOM   6642  CE2 TRP D  53      89.294  94.140  29.678  1.00 17.12     0.042 A 
-ATOM   6643  CE3 TRP D  53      88.334  95.810  31.130  1.00 18.61     0.014 A 
-ATOM   6644  NE1 TRP D  53      89.575  93.995  28.350  1.00 17.68    -0.365 N 
-ATOM   6645  HE1 TRP D  53      90.026  93.186  27.923  1.00  0.00     0.165 HD
-ATOM   6646  CZ2 TRP D  53      89.516  93.257  30.743  1.00 18.80     0.030 A 
-ATOM   6647  CZ3 TRP D  53      88.563  94.926  32.198  1.00 19.55     0.001 A 
-ATOM   6648  CH2 TRP D  53      89.138  93.664  31.987  1.00 19.20     0.002 A 
-ATOM   6649  N   GLN D  54      87.002  99.442  25.665  1.00 18.46    -0.346 N 
-ATOM   6650  HN  GLN D  54      86.725  98.634  25.108  1.00  0.00     0.163 HD
-ATOM   6651  CA  GLN D  54      86.422 100.740  25.387  1.00 19.61     0.177 C 
-ATOM   6652  C   GLN D  54      85.086 100.873  26.142  1.00 19.53     0.241 C 
-ATOM   6653  O   GLN D  54      84.017 100.594  25.611  1.00 19.24    -0.271 OA
-ATOM   6654  CB  GLN D  54      86.228 100.893  23.889  1.00 19.99     0.044 C 
-ATOM   6655  CG  GLN D  54      85.723 102.279  23.444  1.00 23.03     0.105 C 
-ATOM   6656  CD  GLN D  54      85.859 102.435  21.948  1.00 27.80     0.215 C 
-ATOM   6657  NE2 GLN D  54      84.739 102.558  21.250  1.00 29.03    -0.370 N 
-ATOM   6658 1HE2 GLN D  54      83.814 102.583  21.680  1.00  0.00     0.159 HD
-ATOM   6659 2HE2 GLN D  54      84.831 102.663  20.240  1.00  0.00     0.159 HD
-ATOM   6660  OE1 GLN D  54      86.983 102.404  21.425  1.00 29.51    -0.274 OA
-ATOM   6661  N   GLN D  55      85.167 101.303  27.390  1.00 19.44    -0.346 N 
-ATOM   6662  HN  GLN D  55      86.082 101.537  27.775  1.00  0.00     0.163 HD
-ATOM   6663  CA  GLN D  55      83.981 101.453  28.235  1.00 19.97     0.177 C 
-ATOM   6664  C   GLN D  55      83.115 102.622  27.754  1.00 20.20     0.241 C 
-ATOM   6665  O   GLN D  55      83.530 103.778  27.816  1.00 19.78    -0.271 OA
-ATOM   6666  CB  GLN D  55      84.394 101.704  29.667  1.00 20.03     0.044 C 
-ATOM   6667  CG  GLN D  55      83.224 101.962  30.595  1.00 22.19     0.105 C 
-ATOM   6668  CD  GLN D  55      83.626 102.123  32.088  1.00 26.53     0.215 C 
-ATOM   6669  NE2 GLN D  55      82.675 102.563  32.880  1.00 27.00    -0.370 N 
-ATOM   6670 1HE2 GLN D  55      82.939 102.669  33.860  1.00  0.00     0.159 HD
-ATOM   6671 2HE2 GLN D  55      81.743 102.796  32.537  1.00  0.00     0.159 HD
-ATOM   6672  OE1 GLN D  55      84.754 101.841  32.503  1.00 28.27    -0.274 OA
-ATOM   6673  N   THR D  56      81.930 102.284  27.258  1.00 19.53    -0.344 N 
-ATOM   6674  HN  THR D  56      81.623 101.315  27.345  1.00  0.00     0.163 HD
-ATOM   6675  CA  THR D  56      81.055 103.232  26.599  1.00 20.01     0.205 C 
-ATOM   6676  C   THR D  56      79.684 103.204  27.241  1.00 19.83     0.243 C 
-ATOM   6677  O   THR D  56      79.077 102.146  27.433  1.00 19.65    -0.271 OA
-ATOM   6678  CB  THR D  56      80.929 102.913  25.098  1.00 20.43     0.146 C 
-ATOM   6679  CG2 THR D  56      80.591 104.181  24.315  1.00 20.11     0.042 C 
-ATOM   6680  OG1 THR D  56      82.215 102.557  24.590  1.00 22.18    -0.393 OA
-ATOM   6681  HG1 THR D  56      82.425 101.769  25.077  1.00  0.00     0.210 HD
-ATOM   6682  N   THR D  57      79.202 104.388  27.576  1.00 19.38    -0.344 N 
-ATOM   6683  HN  THR D  57      79.670 105.230  27.240  1.00  0.00     0.163 HD
-ATOM   6684  CA  THR D  57      78.036 104.516  28.402  1.00 19.43     0.205 C 
-ATOM   6685  C   THR D  57      77.153 105.640  27.869  1.00 18.86     0.243 C 
-ATOM   6686  O   THR D  57      77.661 106.654  27.387  1.00 18.15    -0.271 OA
-ATOM   6687  CB  THR D  57      78.551 104.776  29.808  1.00 20.51     0.146 C 
-ATOM   6688  CG2 THR D  57      77.889 105.969  30.493  1.00 21.45     0.042 C 
-ATOM   6689  OG1 THR D  57      78.297 103.620  30.628  1.00 22.57    -0.393 OA
-ATOM   6690  HG1 THR D  57      78.619 103.783  31.507  1.00  0.00     0.210 HD
-ATOM   6691  N   TRP D  58      75.841 105.422  27.911  1.00 17.56    -0.346 N 
-ATOM   6692  HN  TRP D  58      75.507 104.532  28.282  1.00  0.00     0.163 HD
-ATOM   6693  CA  TRP D  58      74.857 106.400  27.450  1.00 17.68     0.181 C 
-ATOM   6694  C   TRP D  58      73.483 105.938  27.896  1.00 17.61     0.241 C 
-ATOM   6695  O   TRP D  58      73.284 104.801  28.332  1.00 17.97    -0.271 OA
-ATOM   6696  CB  TRP D  58      74.884 106.607  25.902  1.00 16.81     0.075 C 
-ATOM   6697  CG  TRP D  58      74.357 105.416  25.124  1.00 16.78    -0.028 A 
-ATOM   6698  CD1 TRP D  58      73.084 105.232  24.677  1.00 16.77     0.096 A 
-ATOM   6699  CD2 TRP D  58      75.093 104.250  24.716  1.00 15.39    -0.002 A 
-ATOM   6700  CE2 TRP D  58      74.199 103.404  24.042  1.00 14.77     0.042 A 
-ATOM   6701  CE3 TRP D  58      76.421 103.826  24.873  1.00 14.47     0.014 A 
-ATOM   6702  NE1 TRP D  58      72.977 104.027  24.023  1.00 15.82    -0.365 N 
-ATOM   6703  HE1 TRP D  58      72.129 103.657  23.594  1.00  0.00     0.165 HD
-ATOM   6704  CZ2 TRP D  58      74.587 102.163  23.514  1.00 14.22     0.030 A 
-ATOM   6705  CZ3 TRP D  58      76.802 102.595  24.347  1.00 14.01     0.001 A 
-ATOM   6706  CH2 TRP D  58      75.889 101.779  23.696  1.00 15.30     0.002 A 
-ATOM   6707  N   SER D  59      72.525 106.805  27.703  1.00 18.03    -0.344 N 
-ATOM   6708  HN  SER D  59      72.754 107.693  27.257  1.00  0.00     0.163 HD
-ATOM   6709  CA  SER D  59      71.164 106.563  28.090  1.00 19.23     0.200 C 
-ATOM   6710  C   SER D  59      70.262 106.484  26.863  1.00 19.05     0.243 C 
-ATOM   6711  O   SER D  59      70.363 107.308  25.965  1.00 18.58    -0.271 OA
-ATOM   6712  CB  SER D  59      70.722 107.705  29.008  1.00 19.42     0.199 C 
-ATOM   6713  OG  SER D  59      69.329 107.912  28.851  1.00 23.02    -0.398 OA
-ATOM   6714  HG  SER D  59      69.055 108.621  29.421  1.00  0.00     0.209 HD
-ATOM   6715  N   ASP D  60      69.406 105.463  26.819  1.00 19.54    -0.345 N 
-ATOM   6716  HN  ASP D  60      69.473 104.725  27.520  1.00  0.00     0.163 HD
-ATOM   6717  CA  ASP D  60      68.370 105.378  25.785  1.00 19.76     0.186 C 
-ATOM   6718  C   ASP D  60      67.060 105.012  26.467  1.00 19.80     0.241 C 
-ATOM   6719  O   ASP D  60      66.783 103.847  26.761  1.00 19.36    -0.271 OA
-ATOM   6720  CB  ASP D  60      68.765 104.337  24.741  1.00 20.18     0.147 C 
-ATOM   6721  CG  ASP D  60      67.792 104.262  23.563  1.00 22.20     0.175 C 
-ATOM   6722  OD1 ASP D  60      66.616 104.699  23.667  1.00 21.98    -0.648 OA
-ATOM   6723  OD2 ASP D  60      68.138 103.765  22.479  1.00 24.38    -0.648 OA
-ATOM   6724  N   ARG D  61      66.248 106.017  26.722  1.00 20.21    -0.346 N 
-ATOM   6725  HN  ARG D  61      66.504 106.954  26.411  1.00  0.00     0.163 HD
-ATOM   6726  CA  ARG D  61      64.994 105.825  27.437  1.00 21.11     0.176 C 
-ATOM   6727  C   ARG D  61      63.928 105.029  26.672  1.00 21.14     0.241 C 
-ATOM   6728  O   ARG D  61      63.012 104.486  27.304  1.00 21.42    -0.271 OA
-ATOM   6729  CB  ARG D  61      64.469 107.170  27.975  1.00 21.62     0.036 C 
-ATOM   6730  CG  ARG D  61      65.540 107.950  28.751  1.00 24.04     0.023 C 
-ATOM   6731  CD  ARG D  61      65.343 108.010  30.290  1.00 29.43     0.138 C 
-ATOM   6732  NE  ARG D  61      66.587 108.359  30.997  1.00 33.26    -0.227 N 
-ATOM   6733  HE  ARG D  61      67.397 107.756  30.850  1.00  0.00     0.177 HD
-ATOM   6734  CZ  ARG D  61      66.738 109.408  31.819  1.00 36.51     0.665 C 
-ATOM   6735  NH1 ARG D  61      65.717 110.227  32.077  1.00 37.74    -0.235 N 
-ATOM   6736 1HH1 ARG D  61      65.832 111.025  32.702  1.00  0.00     0.174 HD
-ATOM   6737 2HH1 ARG D  61      64.814 110.048  31.638  1.00  0.00     0.174 HD
-ATOM   6738  NH2 ARG D  61      67.917 109.641  32.392  1.00 36.77    -0.235 N 
-ATOM   6739 1HH2 ARG D  61      68.032 110.439  33.017  1.00  0.00     0.174 HD
-ATOM   6740 2HH2 ARG D  61      68.698 109.015  32.195  1.00  0.00     0.174 HD
-ATOM   6741  N   THR D  62      64.059 104.885  25.344  1.00 20.93    -0.344 N 
-ATOM   6742  HN  THR D  62      64.775 105.410  24.842  1.00  0.00     0.163 HD
-ATOM   6743  CA  THR D  62      63.161 103.960  24.604  1.00 21.28     0.205 C 
-ATOM   6744  C   THR D  62      63.355 102.479  24.997  1.00 20.67     0.243 C 
-ATOM   6745  O   THR D  62      62.507 101.642  24.717  1.00 20.59    -0.271 OA
-ATOM   6746  CB  THR D  62      63.273 104.106  23.074  1.00 21.61     0.146 C 
-ATOM   6747  CG2 THR D  62      63.263 105.593  22.650  1.00 22.04     0.042 C 
-ATOM   6748  OG1 THR D  62      64.544 103.597  22.630  1.00 22.84    -0.393 OA
-ATOM   6749  HG1 THR D  62      64.550 102.683  22.890  1.00  0.00     0.210 HD
-ATOM   6750  N   LEU D  63      64.458 102.179  25.673  1.00 20.09    -0.346 N 
-ATOM   6751  HN  LEU D  63      65.121 102.923  25.891  1.00  0.00     0.163 HD
-ATOM   6752  CA  LEU D  63      64.753 100.813  26.116  1.00 19.80     0.177 C 
-ATOM   6753  C   LEU D  63      64.117 100.484  27.462  1.00 19.72     0.241 C 
-ATOM   6754  O   LEU D  63      63.983  99.310  27.799  1.00 19.64    -0.271 OA
-ATOM   6755  CB  LEU D  63      66.257 100.593  26.199  1.00 19.29     0.038 C 
-ATOM   6756  CG  LEU D  63      67.082 100.741  24.916  1.00 20.42    -0.020 C 
-ATOM   6757  CD1 LEU D  63      68.507 100.473  25.234  1.00 18.74     0.009 C 
-ATOM   6758  CD2 LEU D  63      66.647  99.810  23.782  1.00 19.50     0.009 C 
-ATOM   6759  N   ALA D  64      63.705 101.523  28.190  1.00 18.98    -0.346 N 
-ATOM   6760  HN  ALA D  64      63.654 102.435  27.737  1.00  0.00     0.163 HD
-ATOM   6761  CA  ALA D  64      63.324 101.433  29.593  1.00 18.97     0.172 C 
-ATOM   6762  C   ALA D  64      62.101 100.574  29.797  1.00 18.81     0.240 C 
-ATOM   6763  O   ALA D  64      61.237 100.533  28.950  1.00 18.89    -0.271 OA
-ATOM   6764  CB  ALA D  64      63.081 102.867  30.180  1.00 18.75     0.042 C 
-ATOM   6765  N   TRP D  65      62.026  99.910  30.941  1.00 18.82    -0.346 N 
-ATOM   6766  HN  TRP D  65      62.811  99.961  31.590  1.00  0.00     0.163 HD
-ATOM   6767  CA  TRP D  65      60.864  99.110  31.306  1.00 18.51     0.181 C 
-ATOM   6768  C   TRP D  65      60.683  99.197  32.805  1.00 19.34     0.241 C 
-ATOM   6769  O   TRP D  65      61.635  99.512  33.542  1.00 19.00    -0.271 OA
-ATOM   6770  CB  TRP D  65      61.037  97.644  30.867  1.00 17.97     0.075 C 
-ATOM   6771  CG  TRP D  65      62.108  96.864  31.634  1.00 16.67    -0.028 A 
-ATOM   6772  CD1 TRP D  65      61.933  96.101  32.763  1.00 15.26     0.096 A 
-ATOM   6773  CD2 TRP D  65      63.505  96.762  31.306  1.00 14.26    -0.002 A 
-ATOM   6774  CE2 TRP D  65      64.105  95.911  32.269  1.00 12.98     0.042 A 
-ATOM   6775  CE3 TRP D  65      64.303  97.282  30.289  1.00 13.10     0.014 A 
-ATOM   6776  NE1 TRP D  65      63.126  95.533  33.146  1.00 13.84    -0.365 N 
-ATOM   6777  HE1 TRP D  65      63.259  94.927  33.955  1.00  0.00     0.165 HD
-ATOM   6778  CZ2 TRP D  65      65.469  95.619  32.270  1.00 12.04     0.030 A 
-ATOM   6779  CZ3 TRP D  65      65.666  96.974  30.272  1.00 12.60     0.001 A 
-ATOM   6780  CH2 TRP D  65      66.235  96.153  31.265  1.00 12.10     0.002 A 
-ATOM   6781  N   ASN D  66      59.461  98.920  33.248  1.00 19.90    -0.346 N 
-ATOM   6782  HN  ASN D  66      58.734  98.691  32.570  1.00  0.00     0.163 HD
-ATOM   6783  CA  ASN D  66      59.121  98.931  34.657  1.00 20.96     0.185 C 
-ATOM   6784  C   ASN D  66      59.641  97.634  35.272  1.00 20.97     0.241 C 
-ATOM   6785  O   ASN D  66      59.165  96.546  34.952  1.00 21.06    -0.271 OA
-ATOM   6786  CB  ASN D  66      57.598  99.056  34.825  1.00 21.11     0.137 C 
-ATOM   6787  CG  ASN D  66      57.182  99.295  36.264  1.00 22.93     0.217 C 
-ATOM   6788  ND2 ASN D  66      56.040  99.973  36.443  1.00 25.11    -0.370 N 
-ATOM   6789 1HD2 ASN D  66      55.760 100.134  37.411  1.00  0.00     0.159 HD
-ATOM   6790 2HD2 ASN D  66      55.483 100.327  35.666  1.00  0.00     0.159 HD
-ATOM   6791  OD1 ASN D  66      57.859  98.865  37.208  1.00 23.32    -0.274 OA
-ATOM   6792  N   SER D  67      60.622  97.739  36.152  1.00 21.87    -0.344 N 
-ATOM   6793  HN  SER D  67      60.934  98.658  36.466  1.00  0.00     0.163 HD
-ATOM   6794  CA  SER D  67      61.254  96.534  36.669  1.00 22.15     0.200 C 
-ATOM   6795  C   SER D  67      60.803  96.283  38.096  1.00 22.74     0.243 C 
-ATOM   6796  O   SER D  67      61.467  95.549  38.832  1.00 22.45    -0.271 OA
-ATOM   6797  CB  SER D  67      62.782  96.637  36.572  1.00 21.85     0.199 C 
-ATOM   6798  OG  SER D  67      63.258  97.804  37.215  1.00 22.00    -0.398 OA
-ATOM   6799  HG  SER D  67      64.204  97.868  37.155  1.00  0.00     0.209 HD
-ATOM   6800  N   SER D  68      59.674  96.887  38.477  1.00 23.10    -0.344 N 
-ATOM   6801  HN  SER D  68      59.165  97.461  37.804  1.00  0.00     0.163 HD
-ATOM   6802  CA  SER D  68      59.149  96.746  39.835  1.00 24.14     0.200 C 
-ATOM   6803  C   SER D  68      58.846  95.295  40.255  1.00 24.13     0.243 C 
-ATOM   6804  O   SER D  68      58.845  94.972  41.450  1.00 24.44    -0.271 OA
-ATOM   6805  CB  SER D  68      57.930  97.652  40.063  1.00 24.48     0.199 C 
-ATOM   6806  OG  SER D  68      56.715  96.965  39.804  1.00 25.45    -0.398 OA
-ATOM   6807  HG  SER D  68      55.961  97.525  39.945  1.00  0.00     0.209 HD
-ATOM   6808  N   HIS D  69      58.602  94.426  39.279  1.00 23.88    -0.346 N 
-ATOM   6809  HN  HIS D  69      58.506  94.759  38.320  1.00  0.00     0.163 HD
-ATOM   6810  CA  HIS D  69      58.471  93.005  39.565  1.00 23.80     0.182 C 
-ATOM   6811  C   HIS D  69      59.336  92.186  38.614  1.00 23.57     0.241 C 
-ATOM   6812  O   HIS D  69      59.038  91.011  38.345  1.00 23.85    -0.271 OA
-ATOM   6813  CB  HIS D  69      56.998  92.567  39.497  1.00 24.31     0.093 C 
-ATOM   6814  CG  HIS D  69      56.169  93.001  40.676  1.00 25.06     0.028 A 
-ATOM   6815  CD2 HIS D  69      55.825  92.349  41.813  1.00 26.88     0.114 A 
-ATOM   6816  ND1 HIS D  69      55.572  94.242  40.755  1.00 25.39    -0.354 N 
-ATOM   6817  HD1 HIS D  69      55.640  94.974  40.048  1.00  0.00     0.166 HD
-ATOM   6818  CE1 HIS D  69      54.898  94.337  41.887  1.00 25.94     0.180 A 
-ATOM   6819  NE2 HIS D  69      55.026  93.198  42.543  1.00 27.26    -0.360 N 
-ATOM   6820  HE2 HIS D  69      54.601  92.983  43.445  1.00  0.00     0.166 HD
-ATOM   6821  N   SER D  70      60.450  92.780  38.163  1.00 22.59    -0.344 N 
-ATOM   6822  HN  SER D  70      60.758  93.652  38.593  1.00  0.00     0.163 HD
-ATOM   6823  CA  SER D  70      61.233  92.208  37.071  1.00 22.03     0.200 C 
-ATOM   6824  C   SER D  70      62.742  92.391  37.223  1.00 21.86     0.245 C 
-ATOM   6825  O   SER D  70      63.200  93.261  37.973  1.00 21.85    -0.271 OA
-ATOM   6826  CB  SER D  70      60.785  92.821  35.741  1.00 21.89     0.199 C 
-ATOM   6827  OG  SER D  70      59.370  92.787  35.596  1.00 22.60    -0.398 OA
-ATOM   6828  HG  SER D  70      59.092  93.167  34.771  1.00  0.00     0.209 HD
-ATOM   6829  N   PRO D  71      63.523  91.576  36.511  1.00 21.53    -0.337 N 
-ATOM   6830  CA  PRO D  71      64.970  91.790  36.433  1.00 21.34     0.179 C 
-ATOM   6831  C   PRO D  71      65.218  93.226  36.016  1.00 20.92     0.241 C 
-ATOM   6832  O   PRO D  71      64.454  93.753  35.215  1.00 20.62    -0.271 OA
-ATOM   6833  CB  PRO D  71      65.392  90.841  35.319  1.00 21.35     0.037 C 
-ATOM   6834  CG  PRO D  71      64.426  89.719  35.420  1.00 21.53     0.022 C 
-ATOM   6835  CD  PRO D  71      63.105  90.386  35.743  1.00 21.63     0.127 C 
-ATOM   6836  N   ASP D  72      66.233  93.868  36.569  1.00 20.71    -0.346 N 
-ATOM   6837  HN  ASP D  72      66.867  93.387  37.207  1.00  0.00     0.163 HD
-ATOM   6838  CA  ASP D  72      66.429  95.271  36.251  1.00 21.44     0.186 C 
-ATOM   6839  C   ASP D  72      67.567  95.518  35.263  1.00 20.27     0.241 C 
-ATOM   6840  O   ASP D  72      67.834  96.671  34.914  1.00 20.09    -0.271 OA
-ATOM   6841  CB  ASP D  72      66.553  96.115  37.538  1.00 22.65     0.147 C 
-ATOM   6842  CG  ASP D  72      67.928  96.059  38.123  1.00 26.49     0.175 C 
-ATOM   6843  OD1 ASP D  72      68.502  94.931  38.211  1.00 30.13    -0.648 OA
-ATOM   6844  OD2 ASP D  72      68.533  97.095  38.505  1.00 31.77    -0.648 OA
-ATOM   6845  N   GLN D  73      68.190  94.431  34.791  1.00 18.63    -0.346 N 
-ATOM   6846  HN  GLN D  73      67.890  93.516  35.129  1.00  0.00     0.163 HD
-ATOM   6847  CA  GLN D  73      69.287  94.488  33.809  1.00 17.82     0.177 C 
-ATOM   6848  C   GLN D  73      69.268  93.273  32.910  1.00 16.38     0.241 C 
-ATOM   6849  O   GLN D  73      69.019  92.167  33.380  1.00 15.42    -0.271 OA
-ATOM   6850  CB  GLN D  73      70.661  94.452  34.507  1.00 17.81     0.044 C 
-ATOM   6851  CG  GLN D  73      71.085  95.749  35.109  1.00 20.79     0.105 C 
-ATOM   6852  CD  GLN D  73      72.561  95.798  35.476  1.00 22.60     0.215 C 
-ATOM   6853  NE2 GLN D  73      72.847  96.388  36.625  1.00 20.21    -0.370 N 
-ATOM   6854 1HE2 GLN D  73      73.836  96.421  36.871  1.00  0.00     0.159 HD
-ATOM   6855 2HE2 GLN D  73      72.130  96.757  37.250  1.00  0.00     0.159 HD
-ATOM   6856  OE1 GLN D  73      73.436  95.347  34.713  1.00 24.08    -0.274 OA
-ATOM   6857  N   VAL D  74      69.584  93.469  31.636  1.00 15.14    -0.346 N 
-ATOM   6858  HN  VAL D  74      69.686  94.422  31.287  1.00  0.00     0.163 HD
-ATOM   6859  CA  VAL D  74      69.790  92.343  30.719  1.00 14.51     0.180 C 
-ATOM   6860  C   VAL D  74      70.973  92.586  29.801  1.00 14.86     0.241 C 
-ATOM   6861  O   VAL D  74      71.376  93.756  29.606  1.00 14.17    -0.271 OA
-ATOM   6862  CB  VAL D  74      68.564  92.116  29.825  1.00 14.59     0.009 C 
-ATOM   6863  CG1 VAL D  74      67.409  91.560  30.640  1.00 14.03     0.012 C 
-ATOM   6864  CG2 VAL D  74      68.196  93.414  29.056  1.00 12.28     0.012 C 
-ATOM   6865  N   SER D  75      71.504  91.502  29.219  1.00 14.43    -0.344 N 
-ATOM   6866  HN  SER D  75      71.203  90.578  29.528  1.00  0.00     0.163 HD
-ATOM   6867  CA  SER D  75      72.504  91.604  28.151  1.00 15.11     0.200 C 
-ATOM   6868  C   SER D  75      71.796  91.554  26.794  1.00 15.70     0.243 C 
-ATOM   6869  O   SER D  75      70.992  90.661  26.552  1.00 15.91    -0.271 OA
-ATOM   6870  CB  SER D  75      73.519  90.431  28.211  1.00 15.37     0.199 C 
-ATOM   6871  OG  SER D  75      74.229  90.369  29.423  1.00 14.62    -0.398 OA
-ATOM   6872  HG  SER D  75      74.850  89.651  29.460  1.00  0.00     0.209 HD
-ATOM   6873  N   VAL D  76      72.130  92.494  25.905  1.00 16.05    -0.346 N 
-ATOM   6874  HN  VAL D  76      72.890  93.134  26.136  1.00  0.00     0.163 HD
-ATOM   6875  CA  VAL D  76      71.459  92.647  24.622  1.00 15.95     0.180 C 
-ATOM   6876  C   VAL D  76      72.479  92.695  23.500  1.00 16.27     0.243 C 
-ATOM   6877  O   VAL D  76      73.470  93.396  23.618  1.00 15.87    -0.271 OA
-ATOM   6878  CB  VAL D  76      70.607  93.951  24.624  1.00 16.34     0.009 C 
-ATOM   6879  CG1 VAL D  76      69.782  94.134  23.354  1.00 14.54     0.012 C 
-ATOM   6880  CG2 VAL D  76      69.707  93.980  25.861  1.00 14.84     0.012 C 
-ATOM   6881  N   PRO D  77      72.260  91.940  22.421  1.00 16.92    -0.337 N 
-ATOM   6882  CA  PRO D  77      73.156  92.020  21.267  1.00 17.17     0.179 C 
-ATOM   6883  C   PRO D  77      73.150  93.479  20.785  1.00 17.36     0.241 C 
-ATOM   6884  O   PRO D  77      72.063  94.073  20.704  1.00 16.80    -0.271 OA
-ATOM   6885  CB  PRO D  77      72.510  91.087  20.230  1.00 17.24     0.037 C 
-ATOM   6886  CG  PRO D  77      71.534  90.281  20.937  1.00 17.89     0.022 C 
-ATOM   6887  CD  PRO D  77      71.194  90.940  22.247  1.00 17.07     0.127 C 
-ATOM   6888  N   ILE D  78      74.309  94.050  20.482  1.00 18.12    -0.346 N 
-ATOM   6889  HN  ILE D  78      75.182  93.530  20.572  1.00  0.00     0.163 HD
-ATOM   6890  CA  ILE D  78      74.317  95.471  20.005  1.00 19.25     0.180 C 
-ATOM   6891  C   ILE D  78      73.551  95.694  18.701  1.00 19.86     0.241 C 
-ATOM   6892  O   ILE D  78      73.116  96.811  18.438  1.00 20.51    -0.271 OA
-ATOM   6893  CB  ILE D  78      75.731  96.055  19.917  1.00 19.96     0.013 C 
-ATOM   6894  CG1 ILE D  78      76.562  95.341  18.845  1.00 20.58     0.002 C 
-ATOM   6895  CG2 ILE D  78      76.410  95.993  21.274  1.00 18.60     0.012 C 
-ATOM   6896  CD1 ILE D  78      77.850  96.117  18.466  1.00 23.55     0.005 C 
-ATOM   6897  N   SER D  79      73.331  94.639  17.913  1.00 20.07    -0.344 N 
-ATOM   6898  HN  SER D  79      73.724  93.735  18.175  1.00  0.00     0.163 HD
-ATOM   6899  CA  SER D  79      72.546  94.740  16.689  1.00 21.23     0.200 C 
-ATOM   6900  C   SER D  79      71.077  95.077  16.970  1.00 20.85     0.243 C 
-ATOM   6901  O   SER D  79      70.345  95.532  16.074  1.00 21.11    -0.271 OA
-ATOM   6902  CB  SER D  79      72.641  93.441  15.850  1.00 21.66     0.199 C 
-ATOM   6903  OG  SER D  79      71.889  92.396  16.460  1.00 24.51    -0.398 OA
-ATOM   6904  HG  SER D  79      71.947  91.599  15.946  1.00  0.00     0.209 HD
-ATOM   6905  N   SER D  80      70.634  94.846  18.193  1.00 20.45    -0.344 N 
-ATOM   6906  HN  SER D  80      71.243  94.389  18.871  1.00  0.00     0.163 HD
-ATOM   6907  CA  SER D  80      69.291  95.235  18.584  1.00 20.85     0.200 C 
-ATOM   6908  C   SER D  80      69.236  96.651  19.237  1.00 20.65     0.243 C 
-ATOM   6909  O   SER D  80      68.179  97.089  19.667  1.00 20.84    -0.271 OA
-ATOM   6910  CB  SER D  80      68.698  94.191  19.549  1.00 20.95     0.199 C 
-ATOM   6911  OG  SER D  80      68.420  92.960  18.867  1.00 24.47    -0.398 OA
-ATOM   6912  HG  SER D  80      68.054  92.316  19.462  1.00  0.00     0.209 HD
-ATOM   6913  N   LEU D  81      70.366  97.347  19.340  1.00 19.89    -0.346 N 
-ATOM   6914  HN  LEU D  81      71.223  96.978  18.928  1.00  0.00     0.163 HD
-ATOM   6915  CA  LEU D  81      70.396  98.646  20.042  1.00 19.54     0.177 C 
-ATOM   6916  C   LEU D  81      70.978  99.727  19.155  1.00 18.61     0.241 C 
-ATOM   6917  O   LEU D  81      71.826  99.448  18.309  1.00 18.07    -0.271 OA
-ATOM   6918  CB  LEU D  81      71.332  98.569  21.255  1.00 20.34     0.038 C 
-ATOM   6919  CG  LEU D  81      71.086  97.644  22.422  1.00 21.92    -0.020 C 
-ATOM   6920  CD1 LEU D  81      72.080  97.912  23.533  1.00 22.65     0.009 C 
-ATOM   6921  CD2 LEU D  81      69.682  97.856  22.932  1.00 24.24     0.009 C 
-ATOM   6922  N   TRP D  82      70.596 100.973  19.383  1.00 17.65    -0.346 N 
-ATOM   6923  HN  TRP D  82      69.749 101.174  19.914  1.00  0.00     0.163 HD
-ATOM   6924  CA  TRP D  82      71.422 102.050  18.852  1.00 17.48     0.181 C 
-ATOM   6925  C   TRP D  82      72.716 102.112  19.657  1.00 17.75     0.241 C 
-ATOM   6926  O   TRP D  82      72.694 102.027  20.892  1.00 17.97    -0.271 OA
-ATOM   6927  CB  TRP D  82      70.721 103.390  18.897  1.00 16.87     0.075 C 
-ATOM   6928  CG  TRP D  82      71.600 104.531  18.414  1.00 17.04    -0.028 A 
-ATOM   6929  CD1 TRP D  82      71.732 104.975  17.136  1.00 15.88     0.096 A 
-ATOM   6930  CD2 TRP D  82      72.455 105.352  19.215  1.00 16.13    -0.002 A 
-ATOM   6931  CE2 TRP D  82      73.044 106.307  18.356  1.00 17.12     0.042 A 
-ATOM   6932  CE3 TRP D  82      72.764 105.394  20.585  1.00 15.50     0.014 A 
-ATOM   6933  NE1 TRP D  82      72.600 106.035  17.089  1.00 16.51    -0.365 N 
-ATOM   6934  HE1 TRP D  82      72.872 106.540  16.246  1.00  0.00     0.165 HD
-ATOM   6935  CZ2 TRP D  82      73.934 107.292  18.806  1.00 15.13     0.030 A 
-ATOM   6936  CZ3 TRP D  82      73.657 106.376  21.044  1.00 15.75     0.001 A 
-ATOM   6937  CH2 TRP D  82      74.229 107.322  20.142  1.00 16.00     0.002 A 
-ATOM   6938  N   VAL D  83      73.828 102.263  18.953  1.00 17.75    -0.346 N 
-ATOM   6939  HN  VAL D  83      73.755 102.301  17.936  1.00  0.00     0.163 HD
-ATOM   6940  CA  VAL D  83      75.147 102.378  19.554  1.00 18.37     0.180 C 
-ATOM   6941  C   VAL D  83      75.824 103.619  18.941  1.00 18.52     0.243 C 
-ATOM   6942  O   VAL D  83      75.638 103.870  17.753  1.00 18.35    -0.271 OA
-ATOM   6943  CB  VAL D  83      75.965 101.082  19.247  1.00 19.03     0.009 C 
-ATOM   6944  CG1 VAL D  83      77.448 101.272  19.421  1.00 20.71     0.012 C 
-ATOM   6945  CG2 VAL D  83      75.454  99.927  20.098  1.00 19.41     0.012 C 
-ATOM   6946  N   PRO D  84      76.567 104.405  19.728  1.00 18.63    -0.337 N 
-ATOM   6947  CA  PRO D  84      77.210 105.612  19.176  1.00 18.74     0.179 A 
-ATOM   6948  C   PRO D  84      78.229 105.219  18.097  1.00 18.39     0.241 C 
-ATOM   6949  O   PRO D  84      78.907 104.205  18.214  1.00 17.89    -0.271 OA
-ATOM   6950  CB  PRO D  84      77.863 106.307  20.398  1.00 18.35     0.037 A 
-ATOM   6951  CG  PRO D  84      77.545 105.465  21.604  1.00 19.06     0.022 A 
-ATOM   6952  CD  PRO D  84      76.805 104.227  21.176  1.00 18.52     0.127 A 
-ATOM   6953  N   ASP D  85      78.325 106.033  17.052  1.00 17.72    -0.346 N 
-ATOM   6954  HN  ASP D  85      77.785 106.899  17.051  1.00  0.00     0.163 HD
-ATOM   6955  CA  ASP D  85      79.175 105.732  15.907  1.00 17.46     0.186 C 
-ATOM   6956  C   ASP D  85      80.582 106.314  16.173  1.00 17.40     0.241 C 
-ATOM   6957  O   ASP D  85      81.085 107.190  15.422  1.00 17.00    -0.271 OA
-ATOM   6958  CB  ASP D  85      78.553 106.332  14.641  1.00 16.83     0.147 C 
-ATOM   6959  CG  ASP D  85      78.456 107.859  14.710  1.00 19.20     0.175 C 
-ATOM   6960  OD1 ASP D  85      78.330 108.387  15.855  1.00 18.49    -0.648 OA
-ATOM   6961  OD2 ASP D  85      78.501 108.612  13.699  1.00 20.29    -0.648 OA
-ATOM   6962  N   LEU D  86      81.197 105.835  17.249  1.00 16.65    -0.346 N 
-ATOM   6963  HN  LEU D  86      80.732 105.125  17.815  1.00  0.00     0.163 HD
-ATOM   6964  CA  LEU D  86      82.510 106.297  17.636  1.00 17.05     0.177 C 
-ATOM   6965  C   LEU D  86      83.606 105.791  16.729  1.00 17.35     0.241 C 
-ATOM   6966  O   LEU D  86      83.564 104.667  16.257  1.00 17.35    -0.271 OA
-ATOM   6967  CB  LEU D  86      82.810 105.938  19.084  1.00 17.01     0.038 C 
-ATOM   6968  CG  LEU D  86      81.874 106.538  20.151  1.00 17.45    -0.020 C 
-ATOM   6969  CD1 LEU D  86      82.253 106.058  21.530  1.00 17.15     0.009 C 
-ATOM   6970  CD2 LEU D  86      81.771 108.072  20.086  1.00 15.48     0.009 C 
-ATOM   6971  N   ALA D  87      84.587 106.645  16.456  1.00 17.10    -0.346 N 
-ATOM   6972  HN  ALA D  87      84.515 107.622  16.739  1.00  0.00     0.163 HD
-ATOM   6973  CA  ALA D  87      85.770 106.166  15.746  1.00 17.35     0.172 C 
-ATOM   6974  C   ALA D  87      87.036 106.802  16.330  1.00 17.32     0.240 C 
-ATOM   6975  O   ALA D  87      87.010 107.932  16.826  1.00 17.26    -0.271 OA
-ATOM   6976  CB  ALA D  87      85.642 106.427  14.262  1.00 16.94     0.042 C 
-ATOM   6977  N   ALA D  88      88.139 106.074  16.282  1.00 17.24    -0.346 N 
-ATOM   6978  HN  ALA D  88      88.078 105.089  16.023  1.00  0.00     0.163 HD
-ATOM   6979  CA  ALA D  88      89.431 106.649  16.591  1.00 17.29     0.172 C 
-ATOM   6980  C   ALA D  88      89.997 107.296  15.352  1.00 17.33     0.240 C 
-ATOM   6981  O   ALA D  88      90.203 106.623  14.342  1.00 17.47    -0.271 OA
-ATOM   6982  CB  ALA D  88      90.375 105.584  17.147  1.00 17.56     0.042 C 
-ATOM   6983  N   TYR D  89      90.213 108.612  15.413  1.00 17.13    -0.346 N 
-ATOM   6984  HN  TYR D  89      90.068 109.087  16.304  1.00  0.00     0.163 HD
-ATOM   6985  CA  TYR D  89      90.651 109.412  14.255  1.00 17.20     0.180 C 
-ATOM   6986  C   TYR D  89      92.081 109.108  13.770  1.00 17.22     0.241 C 
-ATOM   6987  O   TYR D  89      92.398 109.374  12.607  1.00 17.41    -0.271 OA
-ATOM   6988  CB  TYR D  89      90.617 110.897  14.597  1.00 17.24     0.073 C 
-ATOM   6989  CG  TYR D  89      89.266 111.552  14.505  1.00 18.42    -0.056 A 
-ATOM   6990  CD1 TYR D  89      88.204 111.133  15.318  1.00 18.79     0.010 A 
-ATOM   6991  CD2 TYR D  89      89.043 112.612  13.619  1.00 18.72     0.010 A 
-ATOM   6992  CE1 TYR D  89      86.956 111.763  15.235  1.00 21.76     0.037 A 
-ATOM   6993  CE2 TYR D  89      87.802 113.237  13.537  1.00 19.46     0.037 A 
-ATOM   6994  CZ  TYR D  89      86.780 112.839  14.345  1.00 22.38     0.065 A 
-ATOM   6995  OH  TYR D  89      85.569 113.484  14.232  1.00 24.25    -0.361 OA
-ATOM   6996  HH  TYR D  89      84.856 113.206  14.795  1.00  0.00     0.217 HD
-ATOM   6997  N   ASN D  90      92.945 108.624  14.660  1.00 15.80    -0.346 N 
-ATOM   6998  HN  ASN D  90      92.652 108.503  15.629  1.00  0.00     0.163 HD
-ATOM   6999  CA  ASN D  90      94.293 108.267  14.274  1.00 15.69     0.185 C 
-ATOM   7000  C   ASN D  90      94.515 106.731  14.190  1.00 15.55     0.241 C 
-ATOM   7001  O   ASN D  90      95.637 106.264  14.177  1.00 15.31    -0.271 OA
-ATOM   7002  CB  ASN D  90      95.341 108.972  15.178  1.00 15.29     0.137 C 
-ATOM   7003  CG  ASN D  90      95.170 108.645  16.670  1.00 16.35     0.217 C 
-ATOM   7004  ND2 ASN D  90      96.280 108.391  17.357  1.00 15.03    -0.370 N 
-ATOM   7005 1HD2 ASN D  90      97.204 108.416  16.925  1.00  0.00     0.159 HD
-ATOM   7006 2HD2 ASN D  90      96.167 108.174  18.347  1.00  0.00     0.159 HD
-ATOM   7007  OD1 ASN D  90      94.049 108.615  17.194  1.00 17.02    -0.274 OA
-ATOM   7008  N   ALA D  91      93.431 105.965  14.139  1.00 14.86    -0.346 N 
-ATOM   7009  HN  ALA D  91      92.517 106.397  14.276  1.00  0.00     0.163 HD
-ATOM   7010  CA  ALA D  91      93.501 104.523  13.893  1.00 15.53     0.172 C 
-ATOM   7011  C   ALA D  91      93.980 104.246  12.478  1.00 15.43     0.240 C 
-ATOM   7012  O   ALA D  91      93.535 104.892  11.527  1.00 15.11    -0.271 OA
-ATOM   7013  CB  ALA D  91      92.124 103.888  14.092  1.00 15.12     0.042 C 
-ATOM   7014  N   ILE D  92      94.884 103.293  12.334  1.00 15.68    -0.346 N 
-ATOM   7015  HN  ILE D  92      95.248 102.819  13.160  1.00  0.00     0.163 HD
-ATOM   7016  CA  ILE D  92      95.371 102.907  11.011  1.00 16.38     0.180 C 
-ATOM   7017  C   ILE D  92      95.014 101.439  10.701  1.00 17.03     0.241 C 
-ATOM   7018  O   ILE D  92      95.475 100.846   9.705  1.00 16.92    -0.271 OA
-ATOM   7019  CB  ILE D  92      96.880 103.170  10.893  1.00 16.89     0.013 C 
-ATOM   7020  CG1 ILE D  92      97.648 102.408  11.978  1.00 16.18     0.002 C 
-ATOM   7021  CG2 ILE D  92      97.178 104.720  10.923  1.00 15.51     0.012 C 
-ATOM   7022  CD1 ILE D  92      99.129 102.301  11.726  1.00 15.78     0.005 C 
-ATOM   7023  N   SER D  93      94.198 100.857  11.556  1.00 17.15    -0.344 N 
-ATOM   7024  HN  SER D  93      93.987 101.316  12.442  1.00  0.00     0.163 HD
-ATOM   7025  CA  SER D  93      93.588  99.558  11.251  1.00 19.06     0.200 C 
-ATOM   7026  C   SER D  93      92.137  99.604  11.722  1.00 19.45     0.243 C 
-ATOM   7027  O   SER D  93      91.773 100.444  12.549  1.00 19.48    -0.271 OA
-ATOM   7028  CB  SER D  93      94.357  98.381  11.923  1.00 18.56     0.199 C 
-ATOM   7029  OG  SER D  93      94.126  98.379  13.332  1.00 18.83    -0.398 OA
-ATOM   7030  HG  SER D  93      94.595  97.661  13.742  1.00  0.00     0.209 HD
-ATOM   7031  N   LYS D  94      91.300  98.728  11.197  1.00 20.88    -0.346 N 
-ATOM   7032  HN  LYS D  94      91.610  98.087  10.466  1.00  0.00     0.163 HD
-ATOM   7033  CA  LYS D  94      89.940  98.693  11.675  1.00 23.04     0.176 C 
-ATOM   7034  C   LYS D  94      89.921  98.020  13.073  1.00 23.57     0.243 C 
-ATOM   7035  O   LYS D  94      90.757  97.135  13.344  1.00 24.51    -0.271 OA
-ATOM   7036  CB  LYS D  94      88.993  98.068  10.635  1.00 24.02     0.035 C 
-ATOM   7037  CG  LYS D  94      88.791  96.555  10.664  1.00 27.17     0.004 C 
-ATOM   7038  CD  LYS D  94      87.700  96.147   9.645  1.00 30.54     0.027 C 
-ATOM   7039  CE  LYS D  94      86.398  95.633  10.322  1.00 33.75     0.229 C 
-ATOM   7040  NZ  LYS D  94      85.577  96.723  11.003  1.00 39.71    -0.079 N 
-ATOM   7041  HZ1 LYS D  94      84.723  96.386  11.447  1.00  0.00     0.274 HD
-ATOM   7042  HZ2 LYS D  94      85.366  97.474  10.346  1.00  0.00     0.274 HD
-ATOM   7043  HZ3 LYS D  94      86.150  97.236  11.673  1.00  0.00     0.274 HD
-ATOM   7044  N   PRO D  95      88.999  98.437  13.947  1.00 22.89    -0.337 N 
-ATOM   7045  CA  PRO D  95      88.982  97.912  15.307  1.00 23.02     0.179 C 
-ATOM   7046  C   PRO D  95      88.631  96.427  15.276  1.00 23.62     0.241 C 
-ATOM   7047  O   PRO D  95      87.644  96.015  14.661  1.00 24.64    -0.271 OA
-ATOM   7048  CB  PRO D  95      87.913  98.759  16.027  1.00 22.31     0.037 C 
-ATOM   7049  CG  PRO D  95      87.080  99.398  14.969  1.00 21.95     0.022 C 
-ATOM   7050  CD  PRO D  95      87.882  99.364  13.691  1.00 22.70     0.127 C 
-ATOM   7051  N   GLU D  96      89.502  95.624  15.859  1.00 22.74    -0.346 N 
-ATOM   7052  HN  GLU D  96      90.376  96.014  16.211  1.00  0.00     0.163 HD
-ATOM   7053  CA  GLU D  96      89.250  94.197  16.014  1.00 23.33     0.177 C 
-ATOM   7054  C   GLU D  96      88.584  94.010  17.384  1.00 21.85     0.241 C 
-ATOM   7055  O   GLU D  96      89.209  94.215  18.408  1.00 21.42    -0.271 OA
-ATOM   7056  CB  GLU D  96      90.594  93.445  15.918  1.00 23.53     0.045 C 
-ATOM   7057  CG  GLU D  96      90.530  91.944  15.800  1.00 28.57     0.116 C 
-ATOM   7058  CD  GLU D  96      91.931  91.325  15.636  1.00 35.26     0.172 C 
-ATOM   7059  OE1 GLU D  96      92.854  92.050  15.131  1.00 38.41    -0.648 OA
-ATOM   7060  OE2 GLU D  96      92.134  90.128  16.019  1.00 38.22    -0.648 OA
-ATOM   7061  N   VAL D  97      87.305  93.671  17.393  1.00 20.84    -0.346 N 
-ATOM   7062  HN  VAL D  97      86.814  93.587  16.503  1.00  0.00     0.163 HD
-ATOM   7063  CA  VAL D  97      86.575  93.415  18.616  1.00 19.54     0.180 C 
-ATOM   7064  C   VAL D  97      86.842  91.954  19.060  1.00 19.82     0.241 C 
-ATOM   7065  O   VAL D  97      86.536  90.993  18.337  1.00 18.85    -0.271 OA
-ATOM   7066  CB  VAL D  97      85.051  93.633  18.429  1.00 20.33     0.009 C 
-ATOM   7067  CG1 VAL D  97      84.312  93.449  19.766  1.00 19.08     0.012 C 
-ATOM   7068  CG2 VAL D  97      84.700  95.058  17.827  1.00 19.19     0.012 C 
-ATOM   7069  N   LEU D  98      87.357  91.796  20.268  1.00 18.79    -0.346 N 
-ATOM   7070  HN  LEU D  98      87.459  92.603  20.884  1.00  0.00     0.163 HD
-ATOM   7071  CA  LEU D  98      87.781  90.477  20.728  1.00 19.37     0.177 C 
-ATOM   7072  C   LEU D  98      86.726  89.733  21.541  1.00 18.87     0.241 C 
-ATOM   7073  O   LEU D  98      86.867  88.545  21.783  1.00 19.33    -0.271 OA
-ATOM   7074  CB  LEU D  98      89.103  90.613  21.537  1.00 19.29     0.038 C 
-ATOM   7075  CG  LEU D  98      90.263  91.396  20.890  1.00 20.24    -0.020 C 
-ATOM   7076  CD1 LEU D  98      91.436  91.571  21.824  1.00 19.19     0.009 C 
-ATOM   7077  CD2 LEU D  98      90.732  90.698  19.632  1.00 20.41     0.009 C 
-ATOM   7078  N   THR D  99      85.680  90.442  21.957  1.00 18.27    -0.344 N 
-ATOM   7079  HN  THR D  99      85.552  91.380  21.577  1.00  0.00     0.163 HD
-ATOM   7080  CA  THR D  99      84.709  89.953  22.924  1.00 18.00     0.205 C 
-ATOM   7081  C   THR D  99      83.296  89.812  22.332  1.00 18.47     0.245 C 
-ATOM   7082  O   THR D  99      82.990  90.430  21.313  1.00 18.65    -0.271 OA
-ATOM   7083  CB  THR D  99      84.659  90.917  24.148  1.00 18.24     0.146 C 
-ATOM   7084  CG2 THR D  99      85.873  90.737  25.044  1.00 16.80     0.042 C 
-ATOM   7085  OG1 THR D  99      84.755  92.282  23.702  1.00 16.66    -0.393 OA
-ATOM   7086  HG1 THR D  99      83.996  92.395  23.142  1.00  0.00     0.210 HD
-ATOM   7087  N   PRO D 100      82.423  89.011  22.963  1.00 18.69    -0.337 N 
-ATOM   7088  CA  PRO D 100      81.020  88.914  22.508  1.00 18.64     0.179 C 
-ATOM   7089  C   PRO D 100      80.395  90.336  22.437  1.00 18.99     0.241 C 
-ATOM   7090  O   PRO D 100      80.567  91.148  23.348  1.00 18.41    -0.271 OA
-ATOM   7091  CB  PRO D 100      80.341  88.036  23.589  1.00 18.47     0.037 C 
-ATOM   7092  CG  PRO D 100      81.436  87.239  24.179  1.00 18.96     0.022 C 
-ATOM   7093  CD  PRO D 100      82.696  88.136  24.130  1.00 18.45     0.127 C 
-ATOM   7094  N   GLN D 101      79.692  90.631  21.355  1.00 19.00    -0.346 N 
-ATOM   7095  HN  GLN D 101      79.502  89.903  20.666  1.00  0.00     0.163 HD
-ATOM   7096  CA  GLN D 101      79.178  91.998  21.129  1.00 19.67     0.177 C 
-ATOM   7097  C   GLN D 101      77.825  92.227  21.794  1.00 19.23     0.241 C 
-ATOM   7098  O   GLN D 101      76.793  92.394  21.138  1.00 19.49    -0.271 OA
-ATOM   7099  CB  GLN D 101      79.168  92.316  19.629  1.00 19.89     0.044 C 
-ATOM   7100  CG  GLN D 101      80.611  92.389  19.053  1.00 23.75     0.105 C 
-ATOM   7101  CD  GLN D 101      80.667  92.547  17.535  1.00 28.97     0.215 C 
-ATOM   7102  NE2 GLN D 101      81.551  91.787  16.892  1.00 29.50    -0.370 N 
-ATOM   7103 1HE2 GLN D 101      81.588  91.893  15.878  1.00  0.00     0.159 HD
-ATOM   7104 2HE2 GLN D 101      82.156  91.121  17.372  1.00  0.00     0.159 HD
-ATOM   7105  OE1 GLN D 101      79.936  93.352  16.955  1.00 31.59    -0.274 OA
-ATOM   7106  N   LEU D 102      77.852  92.247  23.121  1.00 18.67    -0.346 N 
-ATOM   7107  HN  LEU D 102      78.753  92.171  23.592  1.00  0.00     0.163 HD
-ATOM   7108  CA  LEU D 102      76.639  92.374  23.940  1.00 18.04     0.177 C 
-ATOM   7109  C   LEU D 102      76.787  93.598  24.798  1.00 17.30     0.241 C 
-ATOM   7110  O   LEU D 102      77.864  93.824  25.355  1.00 16.54    -0.271 OA
-ATOM   7111  CB  LEU D 102      76.437  91.139  24.845  1.00 17.71     0.038 C 
-ATOM   7112  CG  LEU D 102      76.330  89.725  24.206  1.00 20.82    -0.020 C 
-ATOM   7113  CD1 LEU D 102      76.193  88.640  25.289  1.00 21.32     0.009 C 
-ATOM   7114  CD2 LEU D 102      75.168  89.572  23.243  1.00 20.19     0.009 C 
-ATOM   7115  N   ALA D 103      75.707  94.354  24.938  1.00 16.47    -0.346 N 
-ATOM   7116  HN  ALA D 103      74.867  94.133  24.403  1.00  0.00     0.163 HD
-ATOM   7117  CA  ALA D 103      75.700  95.500  25.848  1.00 16.89     0.172 C 
-ATOM   7118  C   ALA D 103      74.857  95.140  27.039  1.00 17.11     0.240 C 
-ATOM   7119  O   ALA D 103      73.995  94.270  26.946  1.00 18.27    -0.271 OA
-ATOM   7120  CB  ALA D 103      75.133  96.740  25.164  1.00 16.35     0.042 C 
-ATOM   7121  N   ARG D 104      75.107  95.792  28.159  1.00 16.48    -0.346 N 
-ATOM   7122  HN  ARG D 104      75.887  96.449  28.184  1.00  0.00     0.163 HD
-ATOM   7123  CA  ARG D 104      74.314  95.605  29.347  1.00 16.25     0.176 C 
-ATOM   7124  C   ARG D 104      73.357  96.804  29.429  1.00 15.96     0.241 C 
-ATOM   7125  O   ARG D 104      73.783  97.963  29.306  1.00 15.96    -0.271 OA
-ATOM   7126  CB  ARG D 104      75.262  95.535  30.528  1.00 16.38     0.036 C 
-ATOM   7127  CG  ARG D 104      74.718  94.919  31.739  1.00 18.15     0.023 C 
-ATOM   7128  CD  ARG D 104      74.509  93.404  31.690  1.00 17.76     0.138 C 
-ATOM   7129  NE  ARG D 104      73.856  93.049  32.927  1.00 16.69    -0.227 N 
-ATOM   7130  HE  ARG D 104      73.777  93.782  33.632  1.00  0.00     0.177 HD
-ATOM   7131  CZ  ARG D 104      73.345  91.855  33.240  1.00 17.77     0.665 C 
-ATOM   7132  NH1 ARG D 104      73.390  90.824  32.386  1.00 14.08    -0.235 N 
-ATOM   7133 1HH1 ARG D 104      73.000  89.912  32.625  1.00  0.00     0.174 HD
-ATOM   7134 2HH1 ARG D 104      73.820  90.942  31.468  1.00  0.00     0.174 HD
-ATOM   7135  NH2 ARG D 104      72.790  91.703  34.425  1.00 14.49    -0.235 N 
-ATOM   7136 1HH2 ARG D 104      72.400  90.791  34.664  1.00  0.00     0.174 HD
-ATOM   7137 2HH2 ARG D 104      72.756  92.488  35.075  1.00  0.00     0.174 HD
-ATOM   7138  N   VAL D 105      72.062  96.517  29.554  1.00 15.69    -0.346 N 
-ATOM   7139  HN  VAL D 105      71.788  95.541  29.663  1.00  0.00     0.163 HD
-ATOM   7140  CA  VAL D 105      71.015  97.539  29.542  1.00 15.13     0.180 C 
-ATOM   7141  C   VAL D 105      70.279  97.465  30.885  1.00 15.34     0.241 C 
-ATOM   7142  O   VAL D 105      69.781  96.400  31.261  1.00 15.05    -0.271 OA
-ATOM   7143  CB  VAL D 105      70.014  97.347  28.379  1.00 15.36     0.009 C 
-ATOM   7144  CG1 VAL D 105      68.918  98.418  28.409  1.00 14.37     0.012 C 
-ATOM   7145  CG2 VAL D 105      70.707  97.332  27.035  1.00 14.89     0.012 C 
-ATOM   7146  N   VAL D 106      70.254  98.588  31.602  1.00 14.73    -0.346 N 
-ATOM   7147  HN  VAL D 106      70.790  99.388  31.265  1.00  0.00     0.163 HD
-ATOM   7148  CA  VAL D 106      69.505  98.734  32.838  1.00 14.89     0.180 C 
-ATOM   7149  C   VAL D 106      68.059  99.183  32.531  1.00 14.80     0.241 C 
-ATOM   7150  O   VAL D 106      67.814  99.830  31.518  1.00 14.39    -0.271 OA
-ATOM   7151  CB  VAL D 106      70.226  99.734  33.797  1.00 15.22     0.009 C 
-ATOM   7152  CG1 VAL D 106      69.581  99.752  35.201  1.00 13.79     0.012 C 
-ATOM   7153  CG2 VAL D 106      71.708  99.373  33.923  1.00 15.59     0.012 C 
-ATOM   7154  N   SER D 107      67.121  98.829  33.402  1.00 14.96    -0.344 N 
-ATOM   7155  HN  SER D 107      67.402  98.318  34.239  1.00  0.00     0.163 HD
-ATOM   7156  CA  SER D 107      65.695  99.141  33.215  1.00 15.68     0.200 C 
-ATOM   7157  C   SER D 107      65.327 100.631  33.078  1.00 16.20     0.243 C 
-ATOM   7158  O   SER D 107      64.251 100.947  32.574  1.00 15.49    -0.271 OA
-ATOM   7159  CB  SER D 107      64.857  98.528  34.318  1.00 15.29     0.199 C 
-ATOM   7160  OG  SER D 107      65.126  99.152  35.559  1.00 15.53    -0.398 OA
-ATOM   7161  HG  SER D 107      64.600  98.768  36.251  1.00  0.00     0.209 HD
-ATOM   7162  N   ASP D 108      66.218 101.527  33.501  1.00 16.88    -0.345 N 
-ATOM   7163  HN  ASP D 108      67.062 101.213  33.980  1.00  0.00     0.163 HD
-ATOM   7164  CA  ASP D 108      65.997 102.962  33.285  1.00 18.20     0.186 C 
-ATOM   7165  C   ASP D 108      66.504 103.458  31.926  1.00 18.09     0.241 C 
-ATOM   7166  O   ASP D 108      66.377 104.637  31.595  1.00 18.14    -0.271 OA
-ATOM   7167  CB  ASP D 108      66.570 103.806  34.435  1.00 18.44     0.147 C 
-ATOM   7168  CG  ASP D 108      68.074 103.680  34.579  1.00 21.47     0.175 C 
-ATOM   7169  OD1 ASP D 108      68.743 103.061  33.733  1.00 23.28    -0.648 OA
-ATOM   7170  OD2 ASP D 108      68.688 104.187  35.536  1.00 24.97    -0.648 OA
-ATOM   7171  N   GLY D 109      67.066 102.551  31.135  1.00 17.85    -0.351 N 
-ATOM   7172  HN  GLY D 109      67.142 101.587  31.458  1.00  0.00     0.163 HD
-ATOM   7173  CA  GLY D 109      67.572 102.900  29.826  1.00 17.74     0.225 C 
-ATOM   7174  C   GLY D 109      69.076 103.131  29.765  1.00 18.02     0.236 C 
-ATOM   7175  O   GLY D 109      69.596 103.375  28.689  1.00 18.40    -0.272 OA
-ATOM   7176  N   GLU D 110      69.784 103.047  30.887  1.00 17.73    -0.346 N 
-ATOM   7177  HN  GLU D 110      69.312 102.871  31.774  1.00  0.00     0.163 HD
-ATOM   7178  CA  GLU D 110      71.242 103.206  30.853  1.00 18.85     0.177 C 
-ATOM   7179  C   GLU D 110      71.863 101.999  30.169  1.00 17.85     0.241 C 
-ATOM   7180  O   GLU D 110      71.496 100.874  30.474  1.00 17.49    -0.271 OA
-ATOM   7181  CB  GLU D 110      71.847 103.303  32.261  1.00 19.18     0.045 C 
-ATOM   7182  CG  GLU D 110      71.558 104.593  33.033  1.00 24.58     0.116 C 
-ATOM   7183  CD  GLU D 110      71.927 105.861  32.281  1.00 31.03     0.172 C 
-ATOM   7184  OE1 GLU D 110      73.116 106.052  31.897  1.00 33.54    -0.648 OA
-ATOM   7185  OE2 GLU D 110      71.009 106.662  32.055  1.00 34.32    -0.648 OA
-ATOM   7186  N   VAL D 111      72.800 102.261  29.257  1.00 17.28    -0.346 N 
-ATOM   7187  HN  VAL D 111      73.035 103.236  29.070  1.00  0.00     0.163 HD
-ATOM   7188  CA  VAL D 111      73.501 101.231  28.519  1.00 16.49     0.180 C 
-ATOM   7189  C   VAL D 111      75.004 101.276  28.839  1.00 16.89     0.241 C 
-ATOM   7190  O   VAL D 111      75.576 102.367  28.962  1.00 16.24    -0.271 OA
-ATOM   7191  CB  VAL D 111      73.295 101.380  26.985  1.00 16.36     0.009 C 
-ATOM   7192  CG1 VAL D 111      73.868 100.130  26.226  1.00 15.57     0.012 C 
-ATOM   7193  CG2 VAL D 111      71.828 101.555  26.646  1.00 14.94     0.012 C 
-ATOM   7194  N   LEU D 112      75.621 100.093  28.955  1.00 16.52    -0.346 N 
-ATOM   7195  HN  LEU D 112      75.043  99.253  28.984  1.00  0.00     0.163 HD
-ATOM   7196  CA  LEU D 112      77.051  99.932  29.042  1.00 16.66     0.177 C 
-ATOM   7197  C   LEU D 112      77.506  98.938  27.986  1.00 17.20     0.241 C 
-ATOM   7198  O   LEU D 112      77.098  97.754  27.997  1.00 16.55    -0.271 OA
-ATOM   7199  CB  LEU D 112      77.450  99.417  30.424  1.00 17.27     0.038 C 
-ATOM   7200  CG  LEU D 112      78.908  98.947  30.640  1.00 19.15    -0.020 C 
-ATOM   7201  CD1 LEU D 112      79.939 100.053  30.408  1.00 16.53     0.009 C 
-ATOM   7202  CD2 LEU D 112      79.071  98.349  32.084  1.00 20.01     0.009 C 
-ATOM   7203  N   TYR D 113      78.335  99.411  27.064  1.00 17.04    -0.346 N 
-ATOM   7204  HN  TYR D 113      78.563 100.405  27.068  1.00  0.00     0.163 HD
-ATOM   7205  CA  TYR D 113      78.924  98.565  26.057  1.00 17.73     0.180 C 
-ATOM   7206  C   TYR D 113      80.442  98.710  26.229  1.00 17.95     0.241 C 
-ATOM   7207  O   TYR D 113      80.989  99.829  26.175  1.00 17.53    -0.271 OA
-ATOM   7208  CB  TYR D 113      78.488  98.981  24.648  1.00 17.51     0.073 C 
-ATOM   7209  CG  TYR D 113      79.098  98.112  23.559  1.00 19.13    -0.056 A 
-ATOM   7210  CD1 TYR D 113      79.159  96.697  23.705  1.00 20.32     0.010 A 
-ATOM   7211  CD2 TYR D 113      79.626  98.672  22.417  1.00 20.07     0.010 A 
-ATOM   7212  CE1 TYR D 113      79.713  95.896  22.718  1.00 21.96     0.037 A 
-ATOM   7213  CE2 TYR D 113      80.188  97.882  21.415  1.00 20.22     0.037 A 
-ATOM   7214  CZ  TYR D 113      80.234  96.500  21.575  1.00 22.95     0.065 A 
-ATOM   7215  OH  TYR D 113      80.794  95.720  20.597  1.00 26.93    -0.361 OA
-ATOM   7216  HH  TYR D 113      80.825  94.777  20.706  1.00  0.00     0.217 HD
-ATOM   7217  N   MET D 114      81.112  97.588  26.480  1.00 17.50    -0.346 N 
-ATOM   7218  HN  MET D 114      80.623  96.694  26.434  1.00  0.00     0.163 HD
-ATOM   7219  CA  MET D 114      82.517  97.609  26.816  1.00 17.63     0.177 C 
-ATOM   7220  C   MET D 114      83.241  96.494  26.087  1.00 17.03     0.243 C 
-ATOM   7221  O   MET D 114      83.643  95.542  26.715  1.00 16.80    -0.271 OA
-ATOM   7222  CB  MET D 114      82.690  97.442  28.338  1.00 18.30     0.045 C 
-ATOM   7223  CG  MET D 114      84.121  97.732  28.847  1.00 20.92     0.076 C 
-ATOM   7224  SD  MET D 114      84.272  97.961  30.638  1.00 27.67    -0.173 SA
-ATOM   7225  CE  MET D 114      82.689  97.926  31.154  1.00 26.61     0.089 C 
-ATOM   7226  N   PRO D 115      83.447  96.636  24.786  1.00 16.54    -0.337 N 
-ATOM   7227  CA  PRO D 115      84.215  95.638  24.035  1.00 16.86     0.179 C 
-ATOM   7228  C   PRO D 115      85.723  95.739  24.300  1.00 17.07     0.241 C 
-ATOM   7229  O   PRO D 115      86.249  96.819  24.657  1.00 16.58    -0.271 OA
-ATOM   7230  CB  PRO D 115      83.872  95.961  22.570  1.00 16.79     0.037 C 
-ATOM   7231  CG  PRO D 115      83.603  97.526  22.589  1.00 16.88     0.022 C 
-ATOM   7232  CD  PRO D 115      82.972  97.734  23.924  1.00 16.64     0.127 C 
-ATOM   7233  N   SER D 116      86.402  94.590  24.210  1.00 16.89    -0.344 N 
-ATOM   7234  HN  SER D 116      85.884  93.712  24.164  1.00  0.00     0.163 HD
-ATOM   7235  CA  SER D 116      87.843  94.553  24.176  1.00 17.08     0.200 C 
-ATOM   7236  C   SER D 116      88.250  94.736  22.715  1.00 17.16     0.243 C 
-ATOM   7237  O   SER D 116      87.787  94.015  21.831  1.00 17.03    -0.271 OA
-ATOM   7238  CB  SER D 116      88.376  93.239  24.691  1.00 16.84     0.199 C 
-ATOM   7239  OG  SER D 116      89.784  93.297  24.757  1.00 18.77    -0.398 OA
-ATOM   7240  HG  SER D 116      90.120  92.470  25.081  1.00  0.00     0.209 HD
-ATOM   7241  N   ILE D 117      89.094  95.717  22.451  1.00 17.37    -0.346 N 
-ATOM   7242  HN  ILE D 117      89.510  96.249  23.215  1.00  0.00     0.163 HD
-ATOM   7243  CA  ILE D 117      89.431  96.041  21.078  1.00 17.74     0.180 C 
-ATOM   7244  C   ILE D 117      90.933  95.951  20.858  1.00 17.59     0.241 C 
-ATOM   7245  O   ILE D 117      91.726  96.403  21.688  1.00 17.74    -0.271 OA
-ATOM   7246  CB  ILE D 117      88.875  97.460  20.723  1.00 18.63     0.013 C 
-ATOM   7247  CG1 ILE D 117      87.337  97.399  20.659  1.00 20.06     0.002 C 
-ATOM   7248  CG2 ILE D 117      89.478  97.975  19.376  1.00 17.88     0.012 C 
-ATOM   7249  CD1 ILE D 117      86.701  98.724  20.308  1.00 20.84     0.005 C 
-ATOM   7250  N   ARG D 118      91.329  95.306  19.772  1.00 17.53    -0.346 N 
-ATOM   7251  HN  ARG D 118      90.669  94.715  19.266  1.00  0.00     0.163 HD
-ATOM   7252  CA  ARG D 118      92.687  95.432  19.298  1.00 17.94     0.176 C 
-ATOM   7253  C   ARG D 118      92.740  96.348  18.061  1.00 17.80     0.241 C 
-ATOM   7254  O   ARG D 118      92.019  96.130  17.078  1.00 17.24    -0.271 OA
-ATOM   7255  CB  ARG D 118      93.293  94.074  18.987  1.00 18.03     0.036 C 
-ATOM   7256  CG  ARG D 118      94.757  94.174  18.564  1.00 19.78     0.023 C 
-ATOM   7257  CD  ARG D 118      95.411  92.866  18.218  1.00 23.08     0.138 C 
-ATOM   7258  NE  ARG D 118      96.825  93.033  17.924  1.00 26.44    -0.227 N 
-ATOM   7259  HE  ARG D 118      97.137  93.961  17.638  1.00  0.00     0.177 HD
-ATOM   7260  CZ  ARG D 118      97.746  92.076  17.997  1.00 27.97     0.665 C 
-ATOM   7261  NH1 ARG D 118      97.431  90.842  18.395  1.00 27.78    -0.235 N 
-ATOM   7262 1HH1 ARG D 118      98.137  90.108  18.451  1.00  0.00     0.174 HD
-ATOM   7263 2HH1 ARG D 118      96.464  90.622  18.632  1.00  0.00     0.174 HD
-ATOM   7264  NH2 ARG D 118      99.001  92.362  17.690  1.00 27.38    -0.235 N 
-ATOM   7265 1HH2 ARG D 118      99.707  91.628  17.746  1.00  0.00     0.174 HD
-ATOM   7266 2HH2 ARG D 118      99.242  93.305  17.386  1.00  0.00     0.174 HD
-ATOM   7267  N   GLN D 119      93.605  97.352  18.115  1.00 17.17    -0.346 N 
-ATOM   7268  HN  GLN D 119      94.237  97.424  18.912  1.00  0.00     0.163 HD
-ATOM   7269  CA  GLN D 119      93.671  98.362  17.050  1.00 17.18     0.177 C 
-ATOM   7270  C   GLN D 119      95.056  98.989  17.002  1.00 16.93     0.241 C 
-ATOM   7271  O   GLN D 119      95.737  99.086  18.037  1.00 16.85    -0.271 OA
-ATOM   7272  CB  GLN D 119      92.593  99.453  17.271  1.00 16.97     0.044 C 
-ATOM   7273  CG  GLN D 119      92.303 100.286  16.044  1.00 17.75     0.105 C 
-ATOM   7274  CD  GLN D 119      91.022 101.084  16.139  1.00 18.09     0.215 C 
-ATOM   7275  NE2 GLN D 119      90.415 101.345  15.013  1.00 18.30    -0.370 N 
-ATOM   7276 1HE2 GLN D 119      90.782 101.044  14.110  1.00  0.00     0.159 HD
-ATOM   7277 2HE2 GLN D 119      89.551 101.883  15.077  1.00  0.00     0.159 HD
-ATOM   7278  OE1 GLN D 119      90.589 101.439  17.205  1.00 20.12    -0.274 OA
-ATOM   7279  N   ARG D 120      95.460  99.391  15.800  1.00 16.94    -0.346 N 
-ATOM   7280  HN  ARG D 120      94.839  99.240  15.005  1.00  0.00     0.163 HD
-ATOM   7281  CA  ARG D 120      96.736 100.032  15.564  1.00 17.42     0.176 C 
-ATOM   7282  C   ARG D 120      96.488 101.552  15.400  1.00 17.45     0.241 C 
-ATOM   7283  O   ARG D 120      95.446 101.963  14.868  1.00 16.69    -0.271 OA
-ATOM   7284  CB  ARG D 120      97.388  99.500  14.277  1.00 18.16     0.036 C 
-ATOM   7285  CG  ARG D 120      97.876  98.035  14.304  1.00 21.77     0.023 C 
-ATOM   7286  CD  ARG D 120      98.048  97.380  12.892  1.00 27.70     0.138 C 
-ATOM   7287  NE  ARG D 120      97.242  96.146  12.776  1.00 35.21    -0.227 N 
-ATOM   7288  HE  ARG D 120      96.683  95.877  13.586  1.00  0.00     0.177 HD
-ATOM   7289  CZ  ARG D 120      97.182  95.352  11.701  1.00 37.65     0.665 C 
-ATOM   7290  NH1 ARG D 120      97.879  95.632  10.595  1.00 38.72    -0.235 N 
-ATOM   7291 1HH1 ARG D 120      98.466  96.466  10.571  1.00  0.00     0.174 HD
-ATOM   7292 2HH1 ARG D 120      97.833  95.027   9.775  1.00  0.00     0.174 HD
-ATOM   7293  NH2 ARG D 120      96.414  94.262  11.733  1.00 39.75    -0.235 N 
-ATOM   7294 1HH2 ARG D 120      95.882  94.048  12.577  1.00  0.00     0.174 HD
-ATOM   7295 2HH2 ARG D 120      96.368  93.657  10.913  1.00  0.00     0.174 HD
-ATOM   7296  N   PHE D 121      97.467 102.351  15.817  1.00 16.12    -0.346 N 
-ATOM   7297  HN  PHE D 121      98.342 101.927  16.127  1.00  0.00     0.163 HD
-ATOM   7298  CA  PHE D 121      97.347 103.816  15.852  1.00 16.88     0.180 C 
-ATOM   7299  C   PHE D 121      98.619 104.447  15.326  1.00 16.42     0.241 C 
-ATOM   7300  O   PHE D 121      99.700 103.863  15.413  1.00 16.67    -0.271 OA
-ATOM   7301  CB  PHE D 121      97.052 104.331  17.261  1.00 14.25     0.073 C 
-ATOM   7302  CG  PHE D 121      95.748 103.860  17.783  1.00 16.03    -0.056 A 
-ATOM   7303  CD1 PHE D 121      94.549 104.433  17.320  1.00 14.57     0.007 A 
-ATOM   7304  CD2 PHE D 121      95.686 102.811  18.717  1.00 11.03     0.007 A 
-ATOM   7305  CE1 PHE D 121      93.334 103.964  17.774  1.00 14.79     0.001 A 
-ATOM   7306  CE2 PHE D 121      94.482 102.386  19.191  1.00 13.06     0.001 A 
-ATOM   7307  CZ  PHE D 121      93.291 102.925  18.708  1.00 11.37     0.000 A 
-ATOM   7308  N   SER D 122      98.462 105.629  14.771  1.00 16.18    -0.344 N 
-ATOM   7309  HN  SER D 122      97.515 105.961  14.585  1.00  0.00     0.163 HD
-ATOM   7310  CA  SER D 122      99.584 106.483  14.411  1.00 16.77     0.200 C 
-ATOM   7311  C   SER D 122      99.697 107.522  15.511  1.00 17.37     0.243 C 
-ATOM   7312  O   SER D 122      98.742 108.234  15.794  1.00 16.56    -0.271 OA
-ATOM   7313  CB  SER D 122      99.304 107.171  13.073  1.00 16.49     0.199 C 
-ATOM   7314  OG  SER D 122     100.183 108.282  12.883  1.00 16.25    -0.398 OA
-ATOM   7315  HG  SER D 122     100.009 108.709  12.052  1.00  0.00     0.209 HD
-ATOM   7316  N   CYS D 123     100.843 107.559  16.176  1.00 18.23    -0.345 N 
-ATOM   7317  HN  CYS D 123     101.605 106.940  15.901  1.00  0.00     0.163 HD
-ATOM   7318  CA  CYS D 123     101.026 108.473  17.293  1.00 20.12     0.186 C 
-ATOM   7319  C   CYS D 123     102.488 108.592  17.676  1.00 19.87     0.242 C 
-ATOM   7320  O   CYS D 123     103.332 107.855  17.157  1.00 19.85    -0.271 OA
-ATOM   7321  CB  CYS D 123     100.184 108.049  18.516  1.00 20.92     0.120 C 
-ATOM   7322  SG  CYS D 123     100.556 106.415  19.206  1.00 26.52    -0.095 SA
-ATOM   7323  N   ASP D 124     102.773 109.523  18.585  1.00 19.94    -0.345 N 
-ATOM   7324  HN  ASP D 124     102.000 110.040  19.005  1.00  0.00     0.163 HD
-ATOM   7325  CA  ASP D 124     104.138 109.845  19.015  1.00 19.82     0.186 C 
-ATOM   7326  C   ASP D 124     104.746 108.741  19.868  1.00 19.58     0.241 C 
-ATOM   7327  O   ASP D 124     104.382 108.592  21.041  1.00 19.53    -0.271 OA
-ATOM   7328  CB  ASP D 124     104.151 111.156  19.806  1.00 19.57     0.147 C 
-ATOM   7329  CG  ASP D 124     105.514 111.802  19.840  1.00 20.50     0.175 C 
-ATOM   7330  OD1 ASP D 124     106.473 111.194  19.321  1.00 19.86    -0.648 OA
-ATOM   7331  OD2 ASP D 124     105.719 112.940  20.350  1.00 21.47    -0.648 OA
-ATOM   7332  N   VAL D 125     105.663 107.983  19.275  1.00 19.15    -0.346 N 
-ATOM   7333  HN  VAL D 125     105.936 108.197  18.316  1.00  0.00     0.163 HD
-ATOM   7334  CA  VAL D 125     106.291 106.855  19.954  1.00 18.96     0.180 C 
-ATOM   7335  C   VAL D 125     107.682 107.272  20.487  1.00 18.80     0.241 C 
-ATOM   7336  O   VAL D 125     108.337 106.517  21.209  1.00 18.51    -0.271 OA
-ATOM   7337  CB  VAL D 125     106.343 105.590  19.034  1.00 19.07     0.009 C 
-ATOM   7338  CG1 VAL D 125     107.065 104.429  19.698  1.00 19.10     0.012 C 
-ATOM   7339  CG2 VAL D 125     104.937 105.129  18.673  1.00 18.84     0.012 C 
-ATOM   7340  N   SER D 126     108.111 108.494  20.168  1.00 18.49    -0.344 N 
-ATOM   7341  HN  SER D 126     107.514 109.105  19.611  1.00  0.00     0.163 HD
-ATOM   7342  CA  SER D 126     109.430 108.977  20.605  1.00 18.54     0.200 C 
-ATOM   7343  C   SER D 126     109.571 108.983  22.126  1.00 18.22     0.242 C 
-ATOM   7344  O   SER D 126     108.640 109.368  22.831  1.00 18.06    -0.271 OA
-ATOM   7345  CB  SER D 126     109.743 110.373  20.043  1.00 18.46     0.199 C 
-ATOM   7346  OG  SER D 126     108.919 111.375  20.632  1.00 18.90    -0.398 OA
-ATOM   7347  HG  SER D 126     109.112 112.238  20.285  1.00  0.00     0.209 HD
-ATOM   7348  N   GLY D 127     110.731 108.552  22.611  1.00 17.64    -0.350 N 
-ATOM   7349  HN  GLY D 127     111.479 108.300  21.965  1.00  0.00     0.163 HD
-ATOM   7350  CA  GLY D 127     110.956 108.433  24.035  1.00 17.64     0.225 C 
-ATOM   7351  C   GLY D 127     110.464 107.158  24.717  1.00 17.49     0.236 C 
-ATOM   7352  O   GLY D 127     110.620 107.020  25.925  1.00 17.37    -0.272 OA
-ATOM   7353  N   VAL D 128     109.900 106.221  23.957  1.00 17.12    -0.346 N 
-ATOM   7354  HN  VAL D 128     109.830 106.367  22.950  1.00  0.00     0.163 HD
-ATOM   7355  CA  VAL D 128     109.378 104.984  24.542  1.00 17.32     0.180 C 
-ATOM   7356  C   VAL D 128     110.432 104.223  25.348  1.00 17.34     0.241 C 
-ATOM   7357  O   VAL D 128     110.112 103.515  26.311  1.00 17.33    -0.271 OA
-ATOM   7358  CB  VAL D 128     108.707 104.046  23.483  1.00 17.14     0.009 C 
-ATOM   7359  CG1 VAL D 128     109.712 103.494  22.499  1.00 16.97     0.012 C 
-ATOM   7360  CG2 VAL D 128     107.946 102.896  24.176  1.00 17.17     0.012 C 
-ATOM   7361  N   ASP D 129     111.678 104.397  24.934  1.00 17.32    -0.345 N 
-ATOM   7362  HN  ASP D 129     111.843 105.056  24.173  1.00  0.00     0.163 HD
-ATOM   7363  CA  ASP D 129     112.824 103.706  25.499  1.00 18.13     0.186 C 
-ATOM   7364  C   ASP D 129     113.447 104.426  26.682  1.00 17.87     0.241 C 
-ATOM   7365  O   ASP D 129     114.328 103.877  27.336  1.00 18.59    -0.271 OA
-ATOM   7366  CB  ASP D 129     113.904 103.613  24.434  1.00 18.68     0.147 C 
-ATOM   7367  CG  ASP D 129     113.912 102.295  23.709  1.00 20.60     0.175 C 
-ATOM   7368  OD1 ASP D 129     112.947 101.483  23.832  1.00 22.15    -0.648 OA
-ATOM   7369  OD2 ASP D 129     114.875 102.010  22.959  1.00 21.01    -0.648 OA
-ATOM   7370  N   THR D 130     113.045 105.667  26.931  1.00 17.28    -0.344 N 
-ATOM   7371  HN  THR D 130     112.340 106.099  26.333  1.00  0.00     0.163 HD
-ATOM   7372  CA  THR D 130     113.603 106.422  28.055  1.00 16.63     0.205 C 
-ATOM   7373  C   THR D 130     112.707 106.330  29.272  1.00 16.75     0.243 C 
-ATOM   7374  O   THR D 130     111.630 105.723  29.227  1.00 15.91    -0.271 OA
-ATOM   7375  CB  THR D 130     113.790 107.912  27.689  1.00 16.94     0.146 C 
-ATOM   7376  CG2 THR D 130     114.321 108.087  26.253  1.00 16.78     0.042 C 
-ATOM   7377  OG1 THR D 130     112.517 108.562  27.690  1.00 14.74    -0.393 OA
-ATOM   7378  HG1 THR D 130     112.632 109.478  27.465  1.00  0.00     0.210 HD
-ATOM   7379  N   GLU D 131     113.139 106.985  30.339  1.00 16.87    -0.346 N 
-ATOM   7380  HN  GLU D 131     113.980 107.556  30.249  1.00  0.00     0.163 HD
-ATOM   7381  CA  GLU D 131     112.476 106.932  31.633  1.00 17.97     0.177 C 
-ATOM   7382  C   GLU D 131     111.183 107.764  31.683  1.00 17.84     0.241 C 
-ATOM   7383  O   GLU D 131     110.212 107.385  32.335  1.00 17.64    -0.271 OA
-ATOM   7384  CB  GLU D 131     113.473 107.355  32.726  1.00 18.12     0.045 C 
-ATOM   7385  CG  GLU D 131     113.246 106.730  34.104  1.00 20.48     0.116 C 
-ATOM   7386  CD  GLU D 131     113.691 105.266  34.217  1.00 21.97     0.172 C 
-ATOM   7387  OE1 GLU D 131     114.913 104.984  34.167  1.00 20.69    -0.648 OA
-ATOM   7388  OE2 GLU D 131     112.804 104.393  34.391  1.00 23.13    -0.648 OA
-ATOM   7389  N   SER D 132     111.173 108.894  30.990  1.00 18.32    -0.344 N 
-ATOM   7390  HN  SER D 132     112.022 109.192  30.510  1.00  0.00     0.163 HD
-ATOM   7391  CA  SER D 132     109.975 109.721  30.898  1.00 18.85     0.200 C 
-ATOM   7392  C   SER D 132     108.933 109.101  29.950  1.00 18.67     0.242 C 
-ATOM   7393  O   SER D 132     107.747 109.417  30.032  1.00 18.89    -0.271 OA
-ATOM   7394  CB  SER D 132     110.336 111.179  30.533  1.00 19.39     0.199 C 
-ATOM   7395  OG  SER D 132     110.215 111.427  29.144  1.00 19.68    -0.398 OA
-ATOM   7396  HG  SER D 132     110.437 112.323  28.920  1.00  0.00     0.209 HD
-ATOM   7397  N   GLY D 133     109.380 108.197  29.084  1.00 18.55    -0.350 N 
-ATOM   7398  HN  GLY D 133     110.386 108.048  29.002  1.00  0.00     0.163 HD
-ATOM   7399  CA  GLY D 133     108.476 107.408  28.244  1.00 18.18     0.225 C 
-ATOM   7400  C   GLY D 133     107.904 108.151  27.050  1.00 18.38     0.236 C 
-ATOM   7401  O   GLY D 133     108.181 109.356  26.855  1.00 17.57    -0.272 OA
-ATOM   7402  N   ALA D 134     107.112 107.440  26.242  1.00 18.17    -0.347 N 
-ATOM   7403  HN  ALA D 134     106.997 106.440  26.406  1.00  0.00     0.163 HD
-ATOM   7404  CA  ALA D 134     106.413 108.066  25.136  1.00 18.59     0.172 C 
-ATOM   7405  C   ALA D 134     104.992 108.474  25.556  1.00 19.29     0.240 C 
-ATOM   7406  O   ALA D 134     104.470 107.996  26.562  1.00 19.09    -0.271 OA
-ATOM   7407  CB  ALA D 134     106.395 107.161  23.922  1.00 18.03     0.042 C 
-ATOM   7408  N   THR D 135     104.388 109.390  24.800  1.00 19.94    -0.344 N 
-ATOM   7409  HN  THR D 135     104.908 109.823  24.036  1.00  0.00     0.163 HD
-ATOM   7410  CA  THR D 135     103.015 109.789  25.031  1.00 20.58     0.205 C 
-ATOM   7411  C   THR D 135     102.235 109.671  23.715  1.00 21.41     0.243 C 
-ATOM   7412  O   THR D 135     102.333 110.539  22.841  1.00 21.34    -0.271 OA
-ATOM   7413  CB  THR D 135     102.949 111.223  25.623  1.00 20.39     0.146 C 
-ATOM   7414  CG2 THR D 135     101.534 111.560  26.078  1.00 18.43     0.042 C 
-ATOM   7415  OG1 THR D 135     103.711 111.286  26.845  1.00 20.11    -0.393 OA
-ATOM   7416  HG1 THR D 135     104.593 111.076  26.561  1.00  0.00     0.210 HD
-ATOM   7417  N   CYS D 136     101.484 108.577  23.600  1.00 21.60    -0.345 N 
-ATOM   7418  HN  CYS D 136     101.526 107.894  24.356  1.00  0.00     0.163 HD
-ATOM   7419  CA  CYS D 136     100.608 108.285  22.474  1.00 22.89     0.186 C 
-ATOM   7420  C   CYS D 136      99.217 108.848  22.763  1.00 22.26     0.241 C 
-ATOM   7421  O   CYS D 136      98.605 108.492  23.760  1.00 22.62    -0.271 OA
-ATOM   7422  CB  CYS D 136     100.526 106.759  22.254  1.00 22.66     0.120 C 
-ATOM   7423  SG  CYS D 136      99.427 106.182  20.903  1.00 29.17    -0.095 SA
-ATOM   7424  N   ARG D 137      98.738 109.721  21.891  1.00 21.97    -0.346 N 
-ATOM   7425  HN  ARG D 137      99.328 109.994  21.105  1.00  0.00     0.163 HD
-ATOM   7426  CA  ARG D 137      97.401 110.316  21.997  1.00 21.61     0.176 C 
-ATOM   7427  C   ARG D 137      96.414 109.587  21.092  1.00 20.71     0.241 C 
-ATOM   7428  O   ARG D 137      96.676 109.455  19.894  1.00 20.33    -0.271 OA
-ATOM   7429  CB  ARG D 137      97.461 111.744  21.485  1.00 22.21     0.036 C 
-ATOM   7430  CG  ARG D 137      96.650 112.737  22.242  1.00 22.90     0.023 C 
-ATOM   7431  CD  ARG D 137      97.211 114.134  22.092  1.00 25.77     0.138 C 
-ATOM   7432  NE  ARG D 137      97.083 114.603  20.711  1.00 26.79    -0.227 N 
-ATOM   7433  HE  ARG D 137      96.145 114.733  20.332  1.00  0.00     0.177 HD
-ATOM   7434  CZ  ARG D 137      98.120 114.869  19.923  1.00 27.01     0.665 C 
-ATOM   7435  NH1 ARG D 137      99.364 114.689  20.376  1.00 27.22    -0.235 N 
-ATOM   7436 1HH1 ARG D 137      99.517 114.363  21.330  1.00  0.00     0.174 HD
-ATOM   7437 2HH1 ARG D 137     100.160 114.893  19.771  1.00  0.00     0.174 HD
-ATOM   7438  NH2 ARG D 137      97.921 115.293  18.682  1.00 24.81    -0.235 N 
-ATOM   7439 1HH2 ARG D 137      96.971 115.430  18.336  1.00  0.00     0.174 HD
-ATOM   7440 2HH2 ARG D 137      98.717 115.497  18.077  1.00  0.00     0.174 HD
-ATOM   7441  N   ILE D 138      95.286 109.155  21.650  1.00 19.15    -0.346 N 
-ATOM   7442  HN  ILE D 138      95.160 109.272  22.655  1.00  0.00     0.163 HD
-ATOM   7443  CA  ILE D 138      94.226 108.523  20.882  1.00 18.48     0.180 C 
-ATOM   7444  C   ILE D 138      92.975 109.411  20.887  1.00 18.23     0.241 C 
-ATOM   7445  O   ILE D 138      92.450 109.746  21.957  1.00 18.20    -0.271 OA
-ATOM   7446  CB  ILE D 138      93.886 107.106  21.455  1.00 17.93     0.013 C 
-ATOM   7447  CG1 ILE D 138      95.107 106.168  21.366  1.00 17.71     0.002 C 
-ATOM   7448  CG2 ILE D 138      92.724 106.505  20.681  1.00 17.58     0.012 C 
-ATOM   7449  CD1 ILE D 138      94.904 104.761  22.028  1.00 20.97     0.005 C 
-ATOM   7450  N   LYS D 139      92.521 109.803  19.696  1.00 17.45    -0.346 N 
-ATOM   7451  HN  LYS D 139      92.976 109.442  18.858  1.00  0.00     0.163 HD
-ATOM   7452  CA  LYS D 139      91.393 110.732  19.539  1.00 17.28     0.176 C 
-ATOM   7453  C   LYS D 139      90.144 109.950  19.137  1.00 16.95     0.241 C 
-ATOM   7454  O   LYS D 139      90.140 109.279  18.097  1.00 16.73    -0.271 OA
-ATOM   7455  CB  LYS D 139      91.733 111.803  18.472  1.00 16.66     0.035 C 
-ATOM   7456  CG  LYS D 139      90.598 112.764  18.084  1.00 18.10     0.004 C 
-ATOM   7457  CD  LYS D 139      91.108 113.904  17.104  1.00 22.51     0.027 C 
-ATOM   7458  CE  LYS D 139      89.962 114.662  16.398  1.00 23.96     0.229 C 
-ATOM   7459  NZ  LYS D 139      90.326 115.363  15.054  1.00 24.17    -0.079 N 
-ATOM   7460  HZ1 LYS D 139      89.569 115.864  14.588  1.00  0.00     0.274 HD
-ATOM   7461  HZ2 LYS D 139      90.738 114.686  14.412  1.00  0.00     0.274 HD
-ATOM   7462  HZ3 LYS D 139      91.118 115.990  15.195  1.00  0.00     0.274 HD
-ATOM   7463  N   ILE D 140      89.095 110.022  19.956  1.00 16.67    -0.346 N 
-ATOM   7464  HN  ILE D 140      89.157 110.614  20.784  1.00  0.00     0.163 HD
-ATOM   7465  CA  ILE D 140      87.856 109.280  19.707  1.00 16.61     0.180 C 
-ATOM   7466  C   ILE D 140      86.640 110.183  19.773  1.00 16.26     0.241 C 
-ATOM   7467  O   ILE D 140      86.473 110.942  20.740  1.00 15.96    -0.271 OA
-ATOM   7468  CB  ILE D 140      87.684 108.157  20.691  1.00 17.06     0.013 C 
-ATOM   7469  CG1 ILE D 140      88.829 107.149  20.530  1.00 17.35     0.002 C 
-ATOM   7470  CG2 ILE D 140      86.275 107.491  20.527  1.00 16.14     0.012 C 
-ATOM   7471  CD1 ILE D 140      88.384 105.754  20.283  1.00 22.24     0.005 C 
-ATOM   7472  N   GLY D 141      85.777 110.083  18.765  1.00 14.93    -0.351 N 
-ATOM   7473  HN  GLY D 141      85.965 109.435  18.000  1.00  0.00     0.163 HD
-ATOM   7474  CA  GLY D 141      84.568 110.891  18.746  1.00 15.04     0.225 C 
-ATOM   7475  C   GLY D 141      83.555 110.310  17.785  1.00 14.82     0.236 C 
-ATOM   7476  O   GLY D 141      83.870 109.344  17.059  1.00 14.45    -0.272 OA
-ATOM   7477  N   SER D 142      82.345 110.870  17.779  1.00 13.90    -0.344 N 
-ATOM   7478  HN  SER D 142      82.124 111.611  18.444  1.00  0.00     0.163 HD
-ATOM   7479  CA  SER D 142      81.338 110.424  16.824  1.00 13.78     0.200 C 
-ATOM   7480  C   SER D 142      81.808 110.806  15.423  1.00 13.53     0.243 C 
-ATOM   7481  O   SER D 142      82.243 111.962  15.189  1.00 13.58    -0.271 OA
-ATOM   7482  CB  SER D 142      79.979 111.058  17.088  1.00 14.47     0.199 C 
-ATOM   7483  OG  SER D 142      79.179 111.053  15.893  1.00 16.42    -0.398 OA
-ATOM   7484  HG  SER D 142      78.331 111.449  16.058  1.00  0.00     0.209 HD
-ATOM   7485  N   TRP D 143      81.715 109.861  14.494  1.00 12.41    -0.346 N 
-ATOM   7486  HN  TRP D 143      81.369 108.938  14.757  1.00  0.00     0.163 HD
-ATOM   7487  CA  TRP D 143      82.097 110.110  13.100  1.00 11.91     0.181 C 
-ATOM   7488  C   TRP D 143      81.145 111.055  12.366  1.00 11.97     0.241 C 
-ATOM   7489  O   TRP D 143      81.563 111.815  11.504  1.00 12.02    -0.271 OA
-ATOM   7490  CB  TRP D 143      82.185 108.789  12.331  1.00 11.71     0.075 C 
-ATOM   7491  CG  TRP D 143      82.974 108.914  11.095  1.00 13.30    -0.028 A 
-ATOM   7492  CD1 TRP D 143      82.535 108.732   9.828  1.00 12.28     0.096 A 
-ATOM   7493  CD2 TRP D 143      84.343 109.339  10.987  1.00 13.12    -0.002 A 
-ATOM   7494  CE2 TRP D 143      84.674 109.337   9.622  1.00 14.56     0.042 A 
-ATOM   7495  CE3 TRP D 143      85.326 109.688  11.907  1.00 11.15     0.014 A 
-ATOM   7496  NE1 TRP D 143      83.552 108.966   8.934  1.00 12.64    -0.365 N 
-ATOM   7497  HE1 TRP D 143      83.481 108.877   7.920  1.00  0.00     0.165 HD
-ATOM   7498  CZ2 TRP D 143      85.947 109.718   9.152  1.00 17.52     0.030 A 
-ATOM   7499  CZ3 TRP D 143      86.592 110.009  11.455  1.00 11.78     0.001 A 
-ATOM   7500  CH2 TRP D 143      86.890 110.053  10.094  1.00 13.59     0.002 A 
-ATOM   7501  N   THR D 144      79.841 110.950  12.652  1.00 11.84    -0.344 N 
-ATOM   7502  HN  THR D 144      79.553 110.369  13.440  1.00  0.00     0.163 HD
-ATOM   7503  CA  THR D 144      78.824 111.637  11.876  1.00 11.20     0.205 C 
-ATOM   7504  C   THR D 144      77.858 112.483  12.666  1.00 11.18     0.243 C 
-ATOM   7505  O   THR D 144      77.007 113.080  12.068  1.00 11.01    -0.271 OA
-ATOM   7506  CB  THR D 144      77.962 110.651  10.974  1.00 11.68     0.146 C 
-ATOM   7507  CG2 THR D 144      78.835 109.667  10.174  1.00 10.09     0.042 C 
-ATOM   7508  OG1 THR D 144      77.107 109.844  11.797  1.00  9.25    -0.393 OA
-ATOM   7509  HG1 THR D 144      76.568 110.451  12.291  1.00  0.00     0.210 HD
-ATOM   7510  N   HIS D 145      77.975 112.520  13.986  1.00 11.05    -0.346 N 
-ATOM   7511  HN  HIS D 145      78.721 111.988  14.433  1.00  0.00     0.163 HD
-ATOM   7512  CA  HIS D 145      77.067 113.300  14.815  1.00 11.15     0.182 C 
-ATOM   7513  C   HIS D 145      77.817 114.474  15.461  1.00 11.14     0.241 C 
-ATOM   7514  O   HIS D 145      78.725 114.269  16.247  1.00 11.14    -0.271 OA
-ATOM   7515  CB  HIS D 145      76.441 112.392  15.907  1.00 11.35     0.093 C 
-ATOM   7516  CG  HIS D 145      75.463 111.390  15.371  1.00 10.98     0.028 A 
-ATOM   7517  CD2 HIS D 145      75.546 110.042  15.232  1.00 12.44     0.114 A 
-ATOM   7518  ND1 HIS D 145      74.216 111.752  14.899  1.00 11.20    -0.354 N 
-ATOM   7519  HD1 HIS D 145      73.847 112.703  14.869  1.00  0.00     0.166 HD
-ATOM   7520  CE1 HIS D 145      73.576 110.665  14.491  1.00 14.40     0.180 A 
-ATOM   7521  NE2 HIS D 145      74.355 109.611  14.699  1.00 13.06    -0.360 N 
-ATOM   7522  HE2 HIS D 145      74.110 108.642  14.497  1.00  0.00     0.166 HD
-ATOM   7523  N   HIS D 146      77.429 115.699  15.136  1.00 10.94    -0.346 N 
-ATOM   7524  HN  HIS D 146      76.678 115.817  14.456  1.00  0.00     0.163 HD
-ATOM   7525  CA  HIS D 146      78.043 116.878  15.721  1.00 11.26     0.182 C 
-ATOM   7526  C   HIS D 146      77.545 117.136  17.150  1.00 11.53     0.241 C 
-ATOM   7527  O   HIS D 146      76.729 116.381  17.685  1.00 11.43    -0.271 OA
-ATOM   7528  CB  HIS D 146      77.846 118.113  14.837  1.00 12.46     0.093 C 
-ATOM   7529  CG  HIS D 146      76.422 118.377  14.482  1.00 13.09     0.028 A 
-ATOM   7530  CD2 HIS D 146      75.678 117.976  13.425  1.00 13.38     0.114 A 
-ATOM   7531  ND1 HIS D 146      75.586 119.123  15.282  1.00 14.03    -0.354 N 
-ATOM   7532  HD1 HIS D 146      75.855 119.580  16.153  1.00  0.00     0.166 HD
-ATOM   7533  CE1 HIS D 146      74.381 119.154  14.743  1.00 14.27     0.180 A 
-ATOM   7534  NE2 HIS D 146      74.414 118.496  13.600  1.00 13.07    -0.360 N 
-ATOM   7535  HE2 HIS D 146      73.633 118.390  12.953  1.00  0.00     0.166 HD
-ATOM   7536  N   SER D 147      78.030 118.210  17.757  1.00 11.60    -0.344 N 
-ATOM   7537  HN  SER D 147      78.532 118.906  17.206  1.00  0.00     0.163 HD
-ATOM   7538  CA  SER D 147      77.866 118.425  19.190  1.00 11.77     0.200 C 
-ATOM   7539  C   SER D 147      76.448 118.633  19.670  1.00 11.92     0.243 C 
-ATOM   7540  O   SER D 147      76.165 118.385  20.833  1.00 12.26    -0.271 OA
-ATOM   7541  CB  SER D 147      78.789 119.525  19.727  1.00 11.83     0.199 C 
-ATOM   7542  OG  SER D 147      78.521 120.758  19.108  1.00 12.65    -0.398 OA
-ATOM   7543  HG  SER D 147      79.093 121.440  19.441  1.00  0.00     0.209 HD
-ATOM   7544  N   ARG D 148      75.534 119.069  18.805  1.00 12.48    -0.346 N 
-ATOM   7545  HN  ARG D 148      75.809 119.371  17.870  1.00  0.00     0.163 HD
-ATOM   7546  CA  ARG D 148      74.117 119.110  19.217  1.00 12.68     0.176 C 
-ATOM   7547  C   ARG D 148      73.412 117.732  19.227  1.00 12.65     0.241 C 
-ATOM   7548  O   ARG D 148      72.283 117.618  19.696  1.00 13.02    -0.271 OA
-ATOM   7549  CB  ARG D 148      73.350 120.161  18.406  1.00 12.14     0.036 C 
-ATOM   7550  CG  ARG D 148      73.733 121.601  18.812  1.00 14.19     0.023 C 
-ATOM   7551  CD  ARG D 148      73.102 122.737  17.963  1.00 20.64     0.138 C 
-ATOM   7552  NE  ARG D 148      73.305 122.571  16.517  1.00 25.26    -0.227 N 
-ATOM   7553  HE  ARG D 148      74.255 122.668  16.159  1.00  0.00     0.177 HD
-ATOM   7554  CZ  ARG D 148      72.332 122.301  15.634  1.00 28.22     0.665 C 
-ATOM   7555  NH1 ARG D 148      71.064 122.153  16.031  1.00 28.88    -0.235 N 
-ATOM   7556 1HH1 ARG D 148      70.842 122.249  17.022  1.00  0.00     0.174 HD
-ATOM   7557 2HH1 ARG D 148      70.324 121.948  15.360  1.00  0.00     0.174 HD
-ATOM   7558  NH2 ARG D 148      72.621 122.176  14.344  1.00 27.98    -0.235 N 
-ATOM   7559 1HH2 ARG D 148      73.588 122.289  14.041  1.00  0.00     0.174 HD
-ATOM   7560 2HH2 ARG D 148      71.881 121.971  13.673  1.00  0.00     0.174 HD
-ATOM   7561  N   GLU D 149      74.078 116.699  18.719  1.00 12.04    -0.346 N 
-ATOM   7562  HN  GLU D 149      75.020 116.850  18.358  1.00  0.00     0.163 HD
-ATOM   7563  CA  GLU D 149      73.504 115.345  18.659  1.00 12.60     0.177 C 
-ATOM   7564  C   GLU D 149      74.211 114.348  19.597  1.00 12.47     0.241 C 
-ATOM   7565  O   GLU D 149      73.549 113.634  20.313  1.00 12.19    -0.271 OA
-ATOM   7566  CB  GLU D 149      73.496 114.812  17.217  1.00 12.06     0.045 C 
-ATOM   7567  CG  GLU D 149      72.803 115.785  16.282  1.00 11.94     0.116 C 
-ATOM   7568  CD  GLU D 149      72.480 115.243  14.897  1.00 15.80     0.172 C 
-ATOM   7569  OE1 GLU D 149      73.005 114.187  14.480  1.00 19.58    -0.648 OA
-ATOM   7570  OE2 GLU D 149      71.698 115.914  14.190  1.00 19.29    -0.648 OA
-ATOM   7571  N   ILE D 150      75.545 114.315  19.570  1.00 12.67    -0.346 N 
-ATOM   7572  HN  ILE D 150      76.027 114.839  18.840  1.00  0.00     0.163 HD
-ATOM   7573  CA  ILE D 150      76.347 113.571  20.527  1.00 13.05     0.180 C 
-ATOM   7574  C   ILE D 150      77.416 114.456  21.231  1.00 14.51     0.241 C 
-ATOM   7575  O   ILE D 150      78.216 115.111  20.558  1.00 14.66    -0.271 OA
-ATOM   7576  CB  ILE D 150      77.013 112.335  19.813  1.00 12.35     0.013 C 
-ATOM   7577  CG1 ILE D 150      75.942 111.286  19.436  1.00  9.72     0.002 C 
-ATOM   7578  CG2 ILE D 150      78.128 111.803  20.666  1.00  8.91     0.012 C 
-ATOM   7579  CD1 ILE D 150      76.462 109.953  18.769  1.00 15.03     0.005 C 
-ATOM   7580  N   SER D 151      77.407 114.488  22.564  1.00 15.61    -0.344 N 
-ATOM   7581  HN  SER D 151      76.571 114.190  23.067  1.00  0.00     0.163 HD
-ATOM   7582  CA  SER D 151      78.576 114.944  23.319  1.00 17.96     0.200 C 
-ATOM   7583  C   SER D 151      79.385 113.757  23.869  1.00 19.38     0.243 C 
-ATOM   7584  O   SER D 151      78.818 112.708  24.226  1.00 19.40    -0.271 OA
-ATOM   7585  CB  SER D 151      78.255 115.960  24.440  1.00 18.33     0.199 C 
-ATOM   7586  OG  SER D 151      77.053 115.703  25.125  1.00 21.13    -0.398 OA
-ATOM   7587  HG  SER D 151      76.856 116.327  25.814  1.00  0.00     0.209 HD
-ATOM   7588  N   VAL D 152      80.710 113.889  23.851  1.00 20.93    -0.346 N 
-ATOM   7589  HN  VAL D 152      81.132 114.730  23.458  1.00  0.00     0.163 HD
-ATOM   7590  CA  VAL D 152      81.564 112.829  24.394  1.00 23.30     0.180 C 
-ATOM   7591  C   VAL D 152      82.308 113.371  25.568  1.00 25.11     0.241 C 
-ATOM   7592  O   VAL D 152      82.874 114.462  25.485  1.00 24.93    -0.271 OA
-ATOM   7593  CB  VAL D 152      82.602 112.257  23.406  1.00 23.44     0.009 C 
-ATOM   7594  CG1 VAL D 152      82.131 110.936  22.858  1.00 24.68     0.012 C 
-ATOM   7595  CG2 VAL D 152      82.873 113.213  22.282  1.00 25.92     0.012 C 
-ATOM   7596  N   ASP D 153      82.281 112.601  26.660  1.00 28.95    -0.345 N 
-ATOM   7597  HN  ASP D 153      81.802 111.702  26.601  1.00  0.00     0.163 HD
-ATOM   7598  CA  ASP D 153      82.900 112.971  27.940  1.00 32.54     0.186 C 
-ATOM   7599  C   ASP D 153      83.775 111.844  28.527  1.00 33.90     0.243 C 
-ATOM   7600  O   ASP D 153      83.433 110.656  28.444  1.00 32.66    -0.271 OA
-ATOM   7601  CB  ASP D 153      81.837 113.395  28.965  1.00 32.54     0.147 C 
-ATOM   7602  CG  ASP D 153      80.705 114.209  28.337  1.00 36.67     0.175 C 
-ATOM   7603  OD1 ASP D 153      79.922 113.644  27.521  1.00 40.50    -0.648 OA
-ATOM   7604  OD2 ASP D 153      80.507 115.419  28.622  1.00 40.24    -0.648 OA
-ATOM   7605  N   PRO D 154      84.899 112.232  29.122  1.00 36.15    -0.337 N 
-ATOM   7606  CA  PRO D 154      85.740 111.292  29.850  1.00 38.29     0.179 C 
-ATOM   7607  C   PRO D 154      85.346 111.328  31.308  1.00 40.73     0.241 C 
-ATOM   7608  O   PRO D 154      86.125 111.853  32.111  1.00 41.65    -0.271 OA
-ATOM   7609  CB  PRO D 154      87.135 111.886  29.676  1.00 38.28     0.037 C 
-ATOM   7610  CG  PRO D 154      86.926 113.379  29.368  1.00 37.13     0.022 C 
-ATOM   7611  CD  PRO D 154      85.458 113.597  29.142  1.00 36.62     0.127 C 
-ATOM   7612  N   THR D 155      84.168 110.806  31.652  1.00 43.38    -0.344 N 
-ATOM   7613  HN  THR D 155      83.614 110.309  30.954  1.00  0.00     0.163 HD
-ATOM   7614  CA  THR D 155      83.656 110.937  33.026  1.00 45.80     0.205 C 
-ATOM   7615  C   THR D 155      84.673 110.353  34.001  1.00 47.11     0.243 C 
-ATOM   7616  O   THR D 155      85.218 109.259  33.759  1.00 47.25    -0.271 OA
-ATOM   7617  CB  THR D 155      82.228 110.304  33.223  1.00 46.13     0.146 C 
-ATOM   7618  CG2 THR D 155      81.618 110.742  34.589  1.00 46.08     0.042 C 
-ATOM   7619  OG1 THR D 155      81.300 110.831  32.251  1.00 46.38    -0.393 OA
-ATOM   7620  HG1 THR D 155      81.672 110.564  31.419  1.00  0.00     0.210 HD
-ATOM   7621  N   THR D 156      84.931 111.109  35.072  1.00 48.56    -0.344 N 
-ATOM   7622  HN  THR D 156      84.386 111.961  35.208  1.00  0.00     0.163 HD
-ATOM   7623  CA  THR D 156      85.958 110.774  36.060  1.00 50.05     0.205 C 
-ATOM   7624  C   THR D 156      85.539 109.617  36.945  1.00 50.88     0.243 C 
-ATOM   7625  O   THR D 156      84.344 109.307  37.088  1.00 50.86    -0.271 OA
-ATOM   7626  CB  THR D 156      86.350 111.994  36.982  1.00 50.21     0.146 C 
-ATOM   7627  CG2 THR D 156      87.869 112.283  36.907  1.00 50.24     0.042 C 
-ATOM   7628  OG1 THR D 156      85.729 113.208  36.531  1.00 50.47    -0.393 OA
-ATOM   7629  HG1 THR D 156      85.965 113.942  37.086  1.00  0.00     0.210 HD
-ATOM   7630  N   GLU D 157      86.561 108.981  37.515  1.00 51.95    -0.346 N 
-ATOM   7631  HN  GLU D 157      87.497 109.149  37.145  1.00  0.00     0.163 HD
-ATOM   7632  CA  GLU D 157      86.423 108.060  38.634  1.00 52.64     0.177 C 
-ATOM   7633  C   GLU D 157      87.620 108.290  39.583  1.00 52.96     0.241 C 
-ATOM   7634  O   GLU D 157      88.116 109.415  39.710  1.00 52.90    -0.271 OA
-ATOM   7635  CB  GLU D 157      86.313 106.607  38.135  1.00 52.65     0.045 C 
-ATOM   7636  CG  GLU D 157      84.920 106.228  37.629  1.00 53.05     0.116 C 
-ATOM   7637  CD  GLU D 157      84.934 105.308  36.410  1.00 53.42     0.172 C 
-ATOM   7638  OE1 GLU D 157      84.848 104.075  36.594  1.00 52.29    -0.648 OA
-ATOM   7639  OE2 GLU D 157      85.019 105.815  35.265  1.00 53.76    -0.648 OA
-ATOM   7640  N   ASN D 158      88.033 107.236  40.279  1.00 53.37    -0.346 N 
-ATOM   7641  HN  ASN D 158      87.400 106.443  40.383  1.00  0.00     0.163 HD
-ATOM   7642  CA  ASN D 158      89.353 107.160  40.903  1.00 53.55     0.185 C 
-ATOM   7643  C   ASN D 158      90.175 106.213  40.004  1.00 53.27     0.241 C 
-ATOM   7644  O   ASN D 158      91.386 106.034  40.187  1.00 53.48    -0.271 OA
-ATOM   7645  CB  ASN D 158      89.207 106.670  42.366  1.00 53.70     0.137 C 
-ATOM   7646  CG  ASN D 158      90.481 106.053  42.935  1.00 54.16     0.217 C 
-ATOM   7647  ND2 ASN D 158      91.340 106.889  43.508  1.00 54.85    -0.370 N 
-ATOM   7648 1HD2 ASN D 158      92.192 106.476  43.888  1.00  0.00     0.159 HD
-ATOM   7649 2HD2 ASN D 158      91.179 107.895  43.553  1.00  0.00     0.159 HD
-ATOM   7650  OD1 ASN D 158      90.676 104.834  42.880  1.00 54.40    -0.274 OA
-ATOM   7651  N   SER D 159      89.471 105.665  39.004  1.00 52.74    -0.344 N 
-ATOM   7652  HN  SER D 159      88.513 105.998  38.892  1.00  0.00     0.163 HD
-ATOM   7653  CA  SER D 159      89.920 104.638  38.048  1.00 52.20     0.200 C 
-ATOM   7654  C   SER D 159      91.422 104.510  37.739  1.00 51.75     0.243 C 
-ATOM   7655  O   SER D 159      91.912 105.132  36.778  1.00 51.79    -0.271 OA
-ATOM   7656  CB  SER D 159      89.152 104.796  36.724  1.00 52.39     0.199 C 
-ATOM   7657  OG  SER D 159      89.132 103.579  35.994  1.00 52.27    -0.398 OA
-ATOM   7658  HG  SER D 159      88.658 103.677  35.177  1.00  0.00     0.209 HD
-ATOM   7659  N   ASP D 160      92.111 103.681  38.542  1.00 50.58    -0.345 N 
-ATOM   7660  HN  ASP D 160      91.615 103.294  39.345  1.00  0.00     0.163 HD
-ATOM   7661  CA  ASP D 160      93.525 103.279  38.366  1.00 49.50     0.186 C 
-ATOM   7662  C   ASP D 160      93.990 103.173  36.899  1.00 48.33     0.241 C 
-ATOM   7663  O   ASP D 160      93.164 103.015  35.983  1.00 48.62    -0.271 OA
-ATOM   7664  CB  ASP D 160      93.762 101.936  39.082  1.00 49.73     0.147 C 
-ATOM   7665  CG  ASP D 160      95.158 101.821  39.709  1.00 50.22     0.175 C 
-ATOM   7666  OD1 ASP D 160      96.077 101.287  39.039  1.00 50.34    -0.648 OA
-ATOM   7667  OD2 ASP D 160      95.420 102.213  40.875  1.00 50.68    -0.648 OA
-ATOM   7668  N   ASP D 161      95.304 103.250  36.681  1.00 46.49    -0.345 N 
-ATOM   7669  HN  ASP D 161      95.941 103.293  37.476  1.00  0.00     0.163 HD
-ATOM   7670  CA  ASP D 161      95.852 103.274  35.314  1.00 44.88     0.186 C 
-ATOM   7671  C   ASP D 161      96.093 101.873  34.731  1.00 43.40     0.241 C 
-ATOM   7672  O   ASP D 161      95.422 101.469  33.763  1.00 41.91    -0.271 OA
-ATOM   7673  CB  ASP D 161      97.115 104.150  35.254  1.00 45.40     0.147 C 
-ATOM   7674  CG  ASP D 161      96.787 105.657  35.230  1.00 46.04     0.175 C 
-ATOM   7675  OD1 ASP D 161      95.613 106.015  34.951  1.00 46.31    -0.648 OA
-ATOM   7676  OD2 ASP D 161      97.632 106.551  35.475  1.00 45.55    -0.648 OA
-ATOM   7677  N   SER D 162      97.025 101.135  35.355  1.00 41.50    -0.344 N 
-ATOM   7678  HN  SER D 162      97.594 101.573  36.079  1.00  0.00     0.163 HD
-ATOM   7679  CA  SER D 162      97.258  99.714  35.033  1.00 39.24     0.200 C 
-ATOM   7680  C   SER D 162      96.427  98.721  35.877  1.00 37.65     0.243 C 
-ATOM   7681  O   SER D 162      96.938  97.653  36.251  1.00 37.27    -0.271 OA
-ATOM   7682  CB  SER D 162      98.753  99.332  35.152  1.00 39.24     0.199 C 
-ATOM   7683  OG  SER D 162      99.613 100.434  35.357  1.00 38.53    -0.398 OA
-ATOM   7684  HG  SER D 162     100.531 100.200  35.430  1.00  0.00     0.209 HD
-ATOM   7685  N   GLU D 163      95.169  99.057  36.181  1.00 35.29    -0.346 N 
-ATOM   7686  HN  GLU D 163      94.781  99.940  35.849  1.00  0.00     0.163 HD
-ATOM   7687  CA  GLU D 163      94.353  98.155  36.990  1.00 33.02     0.177 C 
-ATOM   7688  C   GLU D 163      94.147  96.875  36.206  1.00 30.99     0.241 C 
-ATOM   7689  O   GLU D 163      94.251  95.782  36.765  1.00 30.95    -0.271 OA
-ATOM   7690  CB  GLU D 163      93.010  98.770  37.400  1.00 33.38     0.045 C 
-ATOM   7691  CG  GLU D 163      92.506  98.285  38.768  1.00 35.02     0.116 C 
-ATOM   7692  CD  GLU D 163      91.000  98.476  38.985  1.00 37.88     0.172 C 
-ATOM   7693  OE1 GLU D 163      90.328  99.044  38.087  1.00 39.35    -0.648 OA
-ATOM   7694  OE2 GLU D 163      90.475  98.056  40.051  1.00 37.32    -0.648 OA
-ATOM   7695  N   TYR D 164      93.909  97.004  34.903  1.00 28.27    -0.346 N 
-ATOM   7696  HN  TYR D 164      93.822  97.932  34.489  1.00  0.00     0.163 HD
-ATOM   7697  CA  TYR D 164      93.772  95.810  34.063  1.00 25.95     0.180 C 
-ATOM   7698  C   TYR D 164      94.916  95.581  33.091  1.00 23.59     0.241 C 
-ATOM   7699  O   TYR D 164      94.847  94.657  32.305  1.00 22.95    -0.271 OA
-ATOM   7700  CB  TYR D 164      92.411  95.780  33.348  1.00 25.85     0.073 C 
-ATOM   7701  CG  TYR D 164      91.282  96.151  34.271  1.00 27.05    -0.056 A 
-ATOM   7702  CD1 TYR D 164      91.008  95.396  35.415  1.00 30.78     0.010 A 
-ATOM   7703  CD2 TYR D 164      90.535  97.277  34.036  1.00 28.33     0.010 A 
-ATOM   7704  CE1 TYR D 164      89.985  95.755  36.274  1.00 32.83     0.037 A 
-ATOM   7705  CE2 TYR D 164      89.530  97.646  34.867  1.00 31.73     0.037 A 
-ATOM   7706  CZ  TYR D 164      89.247  96.886  35.985  1.00 33.84     0.065 A 
-ATOM   7707  OH  TYR D 164      88.218  97.301  36.796  1.00 36.97    -0.361 OA
-ATOM   7708  HH  TYR D 164      87.710  98.079  36.597  1.00  0.00     0.217 HD
-ATOM   7709  N   PHE D 165      95.964  96.401  33.151  1.00 21.78    -0.346 N 
-ATOM   7710  HN  PHE D 165      95.985  97.139  33.854  1.00  0.00     0.163 HD
-ATOM   7711  CA  PHE D 165      97.091  96.257  32.218  1.00 19.99     0.180 C 
-ATOM   7712  C   PHE D 165      97.895  95.025  32.533  1.00 19.10     0.241 C 
-ATOM   7713  O   PHE D 165      98.202  94.764  33.694  1.00 18.89    -0.271 OA
-ATOM   7714  CB  PHE D 165      97.994  97.487  32.228  1.00 19.55     0.073 C 
-ATOM   7715  CG  PHE D 165      98.956  97.536  31.087  1.00 18.56    -0.056 A 
-ATOM   7716  CD1 PHE D 165      98.518  97.853  29.810  1.00 17.69     0.007 A 
-ATOM   7717  CD2 PHE D 165     100.311  97.286  31.289  1.00 17.32     0.007 A 
-ATOM   7718  CE1 PHE D 165      99.421  97.912  28.743  1.00 18.35     0.001 A 
-ATOM   7719  CE2 PHE D 165     101.204  97.332  30.237  1.00 17.48     0.001 A 
-ATOM   7720  CZ  PHE D 165     100.769  97.650  28.958  1.00 17.28     0.000 A 
-ATOM   7721  N   SER D 166      98.227  94.258  31.506  1.00 18.04    -0.344 N 
-ATOM   7722  HN  SER D 166      97.973  94.544  30.560  1.00  0.00     0.163 HD
-ATOM   7723  CA  SER D 166      98.956  93.003  31.712  1.00 17.58     0.200 C 
-ATOM   7724  C   SER D 166     100.337  93.178  32.352  1.00 17.01     0.243 C 
-ATOM   7725  O   SER D 166     101.140  93.974  31.897  1.00 16.00    -0.271 OA
-ATOM   7726  CB  SER D 166      99.098  92.245  30.384  1.00 17.48     0.199 C 
-ATOM   7727  OG  SER D 166      99.930  91.097  30.557  1.00 17.02    -0.398 OA
-ATOM   7728  HG  SER D 166     100.018  90.628  29.735  1.00  0.00     0.209 HD
-ATOM   7729  N   GLN D 167     100.612  92.392  33.386  1.00 17.33    -0.346 N 
-ATOM   7730  HN  GLN D 167      99.879  91.779  33.744  1.00  0.00     0.163 HD
-ATOM   7731  CA  GLN D 167     101.926  92.370  34.034  1.00 17.78     0.177 C 
-ATOM   7732  C   GLN D 167     102.993  91.713  33.138  1.00 17.55     0.241 C 
-ATOM   7733  O   GLN D 167     104.182  91.761  33.444  1.00 17.27    -0.271 OA
-ATOM   7734  CB  GLN D 167     101.853  91.654  35.407  1.00 18.26     0.044 C 
-ATOM   7735  CG  GLN D 167     101.591  90.157  35.311  1.00 19.72     0.105 C 
-ATOM   7736  CD  GLN D 167     101.327  89.489  36.658  1.00 22.58     0.215 C 
-ATOM   7737  NE2 GLN D 167     100.069  89.111  36.907  1.00 22.16    -0.370 N 
-ATOM   7738 1HE2 GLN D 167      99.301  89.283  36.258  1.00  0.00     0.159 HD
-ATOM   7739 2HE2 GLN D 167      99.893  88.665  37.807  1.00  0.00     0.159 HD
-ATOM   7740  OE1 GLN D 167     102.258  89.280  37.445  1.00 23.01    -0.274 OA
-ATOM   7741  N   TYR D 168     102.561  91.104  32.036  1.00 17.40    -0.346 N 
-ATOM   7742  HN  TYR D 168     101.578  91.192  31.779  1.00  0.00     0.163 HD
-ATOM   7743  CA  TYR D 168     103.442  90.316  31.184  1.00 17.14     0.180 C 
-ATOM   7744  C   TYR D 168     103.855  91.069  29.955  1.00 16.83     0.241 C 
-ATOM   7745  O   TYR D 168     104.739  90.638  29.227  1.00 17.01    -0.271 OA
-ATOM   7746  CB  TYR D 168     102.791  88.981  30.822  1.00 17.38     0.073 C 
-ATOM   7747  CG  TYR D 168     102.516  88.141  32.053  1.00 17.28    -0.056 A 
-ATOM   7748  CD1 TYR D 168     103.548  87.809  32.937  1.00 17.15     0.010 A 
-ATOM   7749  CD2 TYR D 168     101.217  87.739  32.366  1.00 17.19     0.010 A 
-ATOM   7750  CE1 TYR D 168     103.290  87.046  34.103  1.00 18.01     0.037 A 
-ATOM   7751  CE2 TYR D 168     100.941  86.990  33.518  1.00 16.67     0.037 A 
-ATOM   7752  CZ  TYR D 168     101.991  86.654  34.383  1.00 17.66     0.065 A 
-ATOM   7753  OH  TYR D 168     101.755  85.903  35.522  1.00 19.33    -0.361 OA
-ATOM   7754  HH  TYR D 168     102.467  85.675  36.108  1.00  0.00     0.217 HD
-ATOM   7755  N   SER D 169     103.225  92.213  29.741  1.00 16.11    -0.344 N 
-ATOM   7756  HN  SER D 169     102.405  92.438  30.304  1.00  0.00     0.163 HD
-ATOM   7757  CA  SER D 169     103.660  93.149  28.739  1.00 16.00     0.200 C 
-ATOM   7758  C   SER D 169     105.133  93.559  28.895  1.00 16.16     0.243 C 
-ATOM   7759  O   SER D 169     105.689  93.557  29.991  1.00 15.71    -0.271 OA
-ATOM   7760  CB  SER D 169     102.773  94.394  28.778  1.00 16.01     0.199 C 
-ATOM   7761  OG  SER D 169     103.099  95.268  27.722  1.00 15.82    -0.398 OA
-ATOM   7762  HG  SER D 169     102.548  96.041  27.746  1.00  0.00     0.209 HD
-ATOM   7763  N   ARG D 170     105.747  93.902  27.769  1.00 16.54    -0.346 N 
-ATOM   7764  HN  ARG D 170     105.235  93.792  26.894  1.00  0.00     0.163 HD
-ATOM   7765  CA  ARG D 170     107.101  94.424  27.704  1.00 16.64     0.176 C 
-ATOM   7766  C   ARG D 170     107.088  95.894  28.122  1.00 16.05     0.241 C 
-ATOM   7767  O   ARG D 170     108.147  96.507  28.338  1.00 15.41    -0.271 OA
-ATOM   7768  CB  ARG D 170     107.566  94.368  26.263  1.00 17.16     0.036 C 
-ATOM   7769  CG  ARG D 170     108.466  93.226  25.928  1.00 20.21     0.023 C 
-ATOM   7770  CD  ARG D 170     108.963  93.295  24.494  1.00 23.89     0.138 C 
-ATOM   7771  NE  ARG D 170     107.835  93.534  23.598  1.00 26.38    -0.227 N 
-ATOM   7772  HE  ARG D 170     106.896  93.386  23.968  1.00  0.00     0.177 HD
-ATOM   7773  CZ  ARG D 170     107.945  93.932  22.332  1.00 27.55     0.665 C 
-ATOM   7774  NH1 ARG D 170     109.164  94.136  21.799  1.00 25.47    -0.235 N 
-ATOM   7775 1HH1 ARG D 170     109.248  94.441  20.829  1.00  0.00     0.174 HD
-ATOM   7776 2HH1 ARG D 170     110.009  94.003  22.355  1.00  0.00     0.174 HD
-ATOM   7777  NH2 ARG D 170     106.830  94.108  21.598  1.00 25.11    -0.235 N 
-ATOM   7778 1HH2 ARG D 170     106.914  94.413  20.628  1.00  0.00     0.174 HD
-ATOM   7779 2HH2 ARG D 170     105.906  93.953  22.002  1.00  0.00     0.174 HD
-ATOM   7780  N   PHE D 171     105.884  96.457  28.196  1.00 14.91    -0.346 N 
-ATOM   7781  HN  PHE D 171     105.058  95.877  28.049  1.00  0.00     0.163 HD
-ATOM   7782  CA  PHE D 171     105.708  97.870  28.479  1.00 14.96     0.180 C 
-ATOM   7783  C   PHE D 171     105.042  98.071  29.824  1.00 15.61     0.241 C 
-ATOM   7784  O   PHE D 171     104.435  97.136  30.367  1.00 16.41    -0.271 OA
-ATOM   7785  CB  PHE D 171     104.912  98.528  27.353  1.00 14.27     0.073 C 
-ATOM   7786  CG  PHE D 171     105.568  98.371  25.992  1.00 14.13    -0.056 A 
-ATOM   7787  CD1 PHE D 171     106.499  99.313  25.540  1.00 12.07     0.007 A 
-ATOM   7788  CD2 PHE D 171     105.270  97.269  25.177  1.00 11.55     0.007 A 
-ATOM   7789  CE1 PHE D 171     107.117  99.164  24.295  1.00 13.07     0.001 A 
-ATOM   7790  CE2 PHE D 171     105.876  97.109  23.933  1.00 12.24     0.001 A 
-ATOM   7791  CZ  PHE D 171     106.814  98.049  23.503  1.00 13.36     0.000 A 
-ATOM   7792  N   GLU D 172     105.211  99.264  30.387  1.00 16.07    -0.346 N 
-ATOM   7793  HN  GLU D 172     105.869  99.920  29.966  1.00  0.00     0.163 HD
-ATOM   7794  CA  GLU D 172     104.486  99.663  31.585  1.00 17.05     0.177 C 
-ATOM   7795  C   GLU D 172     103.828 101.019  31.341  1.00 17.49     0.241 C 
-ATOM   7796  O   GLU D 172     104.344 101.845  30.560  1.00 17.56    -0.271 OA
-ATOM   7797  CB  GLU D 172     105.386  99.715  32.805  1.00 17.11     0.045 C 
-ATOM   7798  CG  GLU D 172     106.566 100.667  32.692  1.00 19.07     0.116 C 
-ATOM   7799  CD  GLU D 172     107.470 100.625  33.913  1.00 22.67     0.172 C 
-ATOM   7800  OE1 GLU D 172     107.026 100.114  34.971  1.00 25.14    -0.648 OA
-ATOM   7801  OE2 GLU D 172     108.641 101.087  33.818  1.00 23.01    -0.648 OA
-ATOM   7802  N   ILE D 173     102.690 101.237  31.988  1.00 17.46    -0.346 N 
-ATOM   7803  HN  ILE D 173     102.304 100.507  32.587  1.00  0.00     0.163 HD
-ATOM   7804  CA  ILE D 173     101.989 102.498  31.855  1.00 18.20     0.180 C 
-ATOM   7805  C   ILE D 173     102.378 103.436  32.983  1.00 18.58     0.241 C 
-ATOM   7806  O   ILE D 173     102.348 103.074  34.156  1.00 18.43    -0.271 OA
-ATOM   7807  CB  ILE D 173     100.464 102.261  31.817  1.00 18.39     0.013 C 
-ATOM   7808  CG1 ILE D 173     100.087 101.536  30.524  1.00 18.79     0.002 C 
-ATOM   7809  CG2 ILE D 173      99.711 103.572  31.948  1.00 18.45     0.012 C 
-ATOM   7810  CD1 ILE D 173      98.618 101.143  30.426  1.00 20.59     0.005 C 
-ATOM   7811  N   LEU D 174     102.773 104.644  32.615  1.00 18.98    -0.346 N 
-ATOM   7812  HN  LEU D 174     102.818 104.878  31.623  1.00  0.00     0.163 HD
-ATOM   7813  CA  LEU D 174     103.145 105.646  33.607  1.00 19.51     0.177 C 
-ATOM   7814  C   LEU D 174     101.934 106.496  34.008  1.00 19.97     0.241 C 
-ATOM   7815  O   LEU D 174     101.760 106.821  35.184  1.00 19.79    -0.271 OA
-ATOM   7816  CB  LEU D 174     104.280 106.520  33.077  1.00 19.18     0.038 C 
-ATOM   7817  CG  LEU D 174     105.535 105.734  32.659  1.00 19.52    -0.020 C 
-ATOM   7818  CD1 LEU D 174     106.516 106.648  31.962  1.00 19.48     0.009 C 
-ATOM   7819  CD2 LEU D 174     106.203 105.017  33.865  1.00 18.78     0.009 C 
-ATOM   7820  N   ASP D 175     101.090 106.813  33.019  1.00 20.19    -0.346 N 
-ATOM   7821  HN  ASP D 175     101.245 106.407  32.096  1.00  0.00     0.163 HD
-ATOM   7822  CA  ASP D 175      99.960 107.712  33.203  1.00 21.08     0.186 C 
-ATOM   7823  C   ASP D 175      98.974 107.674  32.041  1.00 21.02     0.241 C 
-ATOM   7824  O   ASP D 175      99.361 107.486  30.881  1.00 20.62    -0.271 OA
-ATOM   7825  CB  ASP D 175     100.457 109.154  33.388  1.00 21.74     0.147 C 
-ATOM   7826  CG  ASP D 175      99.590 109.965  34.357  1.00 24.18     0.175 C 
-ATOM   7827  OD1 ASP D 175      98.481 109.530  34.740  1.00 26.15    -0.648 OA
-ATOM   7828  OD2 ASP D 175      99.946 111.085  34.781  1.00 27.76    -0.648 OA
-ATOM   7829  N   VAL D 176      97.694 107.830  32.367  1.00 21.35    -0.346 N 
-ATOM   7830  HN  VAL D 176      97.437 107.837  33.354  1.00  0.00     0.163 HD
-ATOM   7831  CA  VAL D 176      96.640 107.992  31.363  1.00 21.93     0.180 C 
-ATOM   7832  C   VAL D 176      95.853 109.247  31.723  1.00 22.87     0.241 C 
-ATOM   7833  O   VAL D 176      95.344 109.373  32.846  1.00 23.13    -0.271 OA
-ATOM   7834  CB  VAL D 176      95.687 106.767  31.305  1.00 21.89     0.009 C 
-ATOM   7835  CG1 VAL D 176      94.660 106.929  30.184  1.00 21.14     0.012 C 
-ATOM   7836  CG2 VAL D 176      96.465 105.475  31.123  1.00 20.99     0.012 C 
-ATOM   7837  N   THR D 177      95.829 110.215  30.815  1.00 23.44    -0.344 N 
-ATOM   7838  HN  THR D 177      96.407 110.129  29.979  1.00  0.00     0.163 HD
-ATOM   7839  CA  THR D 177      94.992 111.401  30.988  1.00 24.03     0.205 C 
-ATOM   7840  C   THR D 177      93.993 111.539  29.826  1.00 24.09     0.243 C 
-ATOM   7841  O   THR D 177      94.246 111.100  28.700  1.00 23.64    -0.271 OA
-ATOM   7842  CB  THR D 177      95.827 112.693  31.163  1.00 24.30     0.146 C 
-ATOM   7843  CG2 THR D 177      96.694 112.654  32.431  1.00 24.64     0.042 C 
-ATOM   7844  OG1 THR D 177      96.780 112.789  30.108  1.00 25.58    -0.393 OA
-ATOM   7845  HG1 THR D 177      97.292 113.582  30.215  1.00  0.00     0.210 HD
-ATOM   7846  N   GLN D 178      92.824 112.082  30.108  1.00 24.63    -0.346 N 
-ATOM   7847  HN  GLN D 178      92.632 112.410  31.054  1.00  0.00     0.163 HD
-ATOM   7848  CA  GLN D 178      91.807 112.215  29.074  1.00 25.57     0.177 C 
-ATOM   7849  C   GLN D 178      91.556 113.716  28.892  1.00 26.02     0.241 C 
-ATOM   7850  O   GLN D 178      91.473 114.455  29.886  1.00 25.41    -0.271 OA
-ATOM   7851  CB  GLN D 178      90.535 111.410  29.445  1.00 26.44     0.044 C 
-ATOM   7852  CG  GLN D 178      90.780 109.967  30.041  1.00 29.11     0.105 C 
-ATOM   7853  CD  GLN D 178      89.879 108.813  29.466  1.00 37.00     0.215 C 
-ATOM   7854  NE2 GLN D 178      90.493 107.611  29.262  1.00 34.32    -0.370 N 
-ATOM   7855 1HE2 GLN D 178      91.483 107.461  29.456  1.00  0.00     0.159 HD
-ATOM   7856 2HE2 GLN D 178      89.909 106.863  28.889  1.00  0.00     0.159 HD
-ATOM   7857  OE1 GLN D 178      88.656 108.998  29.226  1.00 37.86    -0.274 OA
-ATOM   7858  N   LYS D 179      91.535 114.196  27.650  1.00 25.72    -0.346 N 
-ATOM   7859  HN  LYS D 179      91.762 113.580  26.869  1.00  0.00     0.163 HD
-ATOM   7860  CA  LYS D 179      91.188 115.609  27.386  1.00 25.41     0.176 C 
-ATOM   7861  C   LYS D 179      90.011 115.691  26.410  1.00 25.45     0.241 C 
-ATOM   7862  O   LYS D 179      89.913 114.875  25.492  1.00 24.81    -0.271 OA
-ATOM   7863  CB  LYS D 179      92.371 116.372  26.801  1.00 25.74     0.035 C 
-ATOM   7864  CG  LYS D 179      92.372 117.908  27.151  1.00 29.59     0.004 C 
-ATOM   7865  CD  LYS D 179      93.537 118.681  26.497  1.00 31.30     0.027 C 
-ATOM   7866  CE  LYS D 179      93.468 118.623  24.969  1.00 31.98     0.229 C 
-ATOM   7867  NZ  LYS D 179      93.605 119.968  24.354  1.00 32.26    -0.079 N 
-ATOM   7868  HZ1 LYS D 179      93.559 119.929  23.336  1.00  0.00     0.274 HD
-ATOM   7869  HZ2 LYS D 179      94.456 120.434  24.669  1.00  0.00     0.274 HD
-ATOM   7870  HZ3 LYS D 179      92.916 120.619  24.731  1.00  0.00     0.274 HD
-ATOM   7871  N   LYS D 180      89.106 116.654  26.577  1.00 24.66    -0.346 N 
-ATOM   7872  HN  LYS D 180      89.164 117.307  27.359  1.00  0.00     0.163 HD
-ATOM   7873  CA  LYS D 180      88.026 116.738  25.596  1.00 23.77     0.176 C 
-ATOM   7874  C   LYS D 180      87.922 117.996  24.749  1.00 23.20     0.241 C 
-ATOM   7875  O   LYS D 180      88.064 119.121  25.234  1.00 22.59    -0.271 OA
-ATOM   7876  CB  LYS D 180      86.686 116.270  26.167  1.00 24.92     0.035 C 
-ATOM   7877  CG  LYS D 180      85.966 117.244  27.062  1.00 25.62     0.004 C 
-ATOM   7878  CD  LYS D 180      84.485 117.212  26.719  1.00 28.20     0.027 C 
-ATOM   7879  CE  LYS D 180      84.285 117.216  25.212  1.00 26.60     0.229 C 
-ATOM   7880  NZ  LYS D 180      82.871 116.914  24.947  1.00 28.44    -0.079 N 
-ATOM   7881  HZ1 LYS D 180      82.737 116.917  23.936  1.00  0.00     0.274 HD
-ATOM   7882  HZ2 LYS D 180      82.233 117.545  25.433  1.00  0.00     0.274 HD
-ATOM   7883  HZ3 LYS D 180      82.562 116.046  25.385  1.00  0.00     0.274 HD
-ATOM   7884  N   ASN D 181      87.688 117.776  23.463  1.00 22.18    -0.346 N 
-ATOM   7885  HN  ASN D 181      87.416 116.838  23.168  1.00  0.00     0.163 HD
-ATOM   7886  CA  ASN D 181      87.803 118.813  22.462  1.00 21.78     0.185 C 
-ATOM   7887  C   ASN D 181      86.545 118.947  21.644  1.00 21.14     0.241 C 
-ATOM   7888  O   ASN D 181      85.695 118.064  21.666  1.00 21.51    -0.271 OA
-ATOM   7889  CB  ASN D 181      88.975 118.511  21.539  1.00 22.03     0.137 C 
-ATOM   7890  CG  ASN D 181      90.232 118.299  22.291  1.00 22.40     0.217 C 
-ATOM   7891  ND2 ASN D 181      90.668 117.034  22.412  1.00 23.80    -0.370 N 
-ATOM   7892 1HD2 ASN D 181      91.534 116.888  22.930  1.00  0.00     0.159 HD
-ATOM   7893 2HD2 ASN D 181      90.199 116.240  21.976  1.00  0.00     0.159 HD
-ATOM   7894  OD1 ASN D 181      90.792 119.246  22.811  1.00 23.52    -0.274 OA
-ATOM   7895  N   SER D 182      86.469 120.055  20.916  1.00 20.36    -0.344 N 
-ATOM   7896  HN  SER D 182      87.285 120.668  20.908  1.00  0.00     0.163 HD
-ATOM   7897  CA  SER D 182      85.323 120.463  20.134  1.00 20.44     0.200 C 
-ATOM   7898  C   SER D 182      85.947 121.070  18.855  1.00 20.94     0.243 C 
-ATOM   7899  O   SER D 182      86.555 122.158  18.900  1.00 21.73    -0.271 OA
-ATOM   7900  CB  SER D 182      84.532 121.496  20.958  1.00 20.11     0.199 C 
-ATOM   7901  OG  SER D 182      83.142 121.523  20.678  1.00 19.45    -0.398 OA
-ATOM   7902  HG  SER D 182      82.654 122.160  21.186  1.00  0.00     0.209 HD
-ATOM   7903  N   VAL D 183      85.854 120.344  17.734  1.00 20.99    -0.346 N 
-ATOM   7904  HN  VAL D 183      85.283 119.499  17.740  1.00  0.00     0.163 HD
-ATOM   7905  CA  VAL D 183      86.549 120.724  16.491  1.00 20.50     0.180 C 
-ATOM   7906  C   VAL D 183      85.578 120.927  15.324  1.00 20.53     0.241 C 
-ATOM   7907  O   VAL D 183      84.561 120.225  15.222  1.00 19.87    -0.271 OA
-ATOM   7908  CB  VAL D 183      87.631 119.670  16.066  1.00 20.53     0.009 C 
-ATOM   7909  CG1 VAL D 183      88.564 120.225  15.000  1.00 20.75     0.012 C 
-ATOM   7910  CG2 VAL D 183      88.457 119.183  17.249  1.00 20.58     0.012 C 
-ATOM   7911  N   THR D 184      85.889 121.905  14.467  1.00 20.33    -0.344 N 
-ATOM   7912  HN  THR D 184      86.668 122.523  14.694  1.00  0.00     0.163 HD
-ATOM   7913  CA  THR D 184      85.162 122.127  13.221  1.00 20.86     0.205 C 
-ATOM   7914  C   THR D 184      86.038 121.667  12.064  1.00 20.56     0.243 C 
-ATOM   7915  O   THR D 184      87.104 122.241  11.820  1.00 21.17    -0.271 OA
-ATOM   7916  CB  THR D 184      84.768 123.608  13.074  1.00 21.57     0.146 C 
-ATOM   7917  CG2 THR D 184      84.128 123.897  11.700  1.00 21.53     0.042 C 
-ATOM   7918  OG1 THR D 184      83.712 123.899  14.000  1.00 24.23    -0.393 OA
-ATOM   7919  HG1 THR D 184      84.106 123.721  14.846  1.00  0.00     0.210 HD
-ATOM   7920  N   TYR D 185      85.595 120.622  11.368  1.00 19.40    -0.346 N 
-ATOM   7921  HN  TYR D 185      84.716 120.184  11.642  1.00  0.00     0.163 HD
-ATOM   7922  CA  TYR D 185      86.328 120.081  10.222  1.00 19.31     0.180 C 
-ATOM   7923  C   TYR D 185      85.955 120.775   8.893  1.00 20.22     0.241 C 
-ATOM   7924  O   TYR D 185      84.818 121.232   8.739  1.00 20.09    -0.271 OA
-ATOM   7925  CB  TYR D 185      86.124 118.566  10.136  1.00 18.08     0.073 C 
-ATOM   7926  CG  TYR D 185      86.581 117.848  11.392  1.00 14.82    -0.056 A 
-ATOM   7927  CD1 TYR D 185      85.700 117.616  12.438  1.00 11.78     0.010 A 
-ATOM   7928  CD2 TYR D 185      87.892 117.443  11.538  1.00 13.48     0.010 A 
-ATOM   7929  CE1 TYR D 185      86.104 116.962  13.581  1.00 15.56     0.037 A 
-ATOM   7930  CE2 TYR D 185      88.319 116.791  12.673  1.00 14.02     0.037 A 
-ATOM   7931  CZ  TYR D 185      87.412 116.536  13.698  1.00 15.17     0.065 A 
-ATOM   7932  OH  TYR D 185      87.820 115.920  14.868  1.00 11.90    -0.361 OA
-ATOM   7933  HH  TYR D 185      88.720 115.627  14.949  1.00  0.00     0.217 HD
-ATOM   7934  N   SER D 186      86.895 120.829   7.944  1.00 20.78    -0.344 N 
-ATOM   7935  HN  SER D 186      87.785 120.357   8.103  1.00  0.00     0.163 HD
-ATOM   7936  CA  SER D 186      86.687 121.546   6.679  1.00 22.78     0.200 C 
-ATOM   7937  C   SER D 186      85.456 121.104   5.869  1.00 23.66     0.243 C 
-ATOM   7938  O   SER D 186      84.909 121.876   5.071  1.00 23.73    -0.271 OA
-ATOM   7939  CB  SER D 186      87.932 121.468   5.800  1.00 22.88     0.199 C 
-ATOM   7940  OG  SER D 186      88.431 122.786   5.561  1.00 24.29    -0.398 OA
-ATOM   7941  HG  SER D 186      89.206 122.737   5.014  1.00  0.00     0.209 HD
-ATOM   7942  N   CYS D 187      85.032 119.867   6.101  1.00 23.51    -0.345 N 
-ATOM   7943  HN  CYS D 187      85.503 119.324   6.825  1.00  0.00     0.163 HD
-ATOM   7944  CA  CYS D 187      83.940 119.247   5.384  1.00 25.04     0.186 C 
-ATOM   7945  C   CYS D 187      82.568 119.843   5.707  1.00 25.46     0.242 C 
-ATOM   7946  O   CYS D 187      81.663 119.810   4.869  1.00 25.65    -0.271 OA
-ATOM   7947  CB  CYS D 187      83.898 117.760   5.772  1.00 25.31     0.120 C 
-ATOM   7948  SG  CYS D 187      83.261 117.502   7.440  1.00 27.08    -0.095 SA
-ATOM   7949  N   CYS D 188      82.411 120.351   6.935  1.00 25.73    -0.345 N 
-ATOM   7950  HN  CYS D 188      83.240 120.615   7.468  1.00  0.00     0.163 HD
-ATOM   7951  CA  CYS D 188      81.092 120.542   7.542  1.00 25.59     0.186 C 
-ATOM   7952  C   CYS D 188      81.118 121.731   8.504  1.00 24.63     0.244 C 
-ATOM   7953  O   CYS D 188      82.148 122.000   9.100  1.00 24.83    -0.271 OA
-ATOM   7954  CB  CYS D 188      80.665 119.256   8.278  1.00 25.61     0.120 C 
-ATOM   7955  SG  CYS D 188      81.188 117.641   7.555  1.00 29.11    -0.095 SA
-ATOM   7956  N   PRO D 189      80.004 122.432   8.682  1.00 23.96    -0.337 N 
-ATOM   7957  CA  PRO D 189      80.013 123.697   9.446  1.00 23.42     0.179 C 
-ATOM   7958  C   PRO D 189      79.846 123.557  10.970  1.00 22.57     0.241 C 
-ATOM   7959  O   PRO D 189      80.189 124.488  11.690  1.00 23.29    -0.271 OA
-ATOM   7960  CB  PRO D 189      78.835 124.475   8.850  1.00 23.15     0.037 C 
-ATOM   7961  CG  PRO D 189      77.880 123.389   8.287  1.00 24.66     0.022 C 
-ATOM   7962  CD  PRO D 189      78.657 122.090   8.190  1.00 24.18     0.127 C 
-ATOM   7963  N   GLU D 190      79.332 122.424  11.441  1.00 21.43    -0.346 N 
-ATOM   7964  HN  GLU D 190      79.060 121.695  10.781  1.00  0.00     0.163 HD
-ATOM   7965  CA  GLU D 190      79.143 122.187  12.867  1.00 20.28     0.177 C 
-ATOM   7966  C   GLU D 190      80.394 121.593  13.518  1.00 18.89     0.241 C 
-ATOM   7967  O   GLU D 190      81.269 121.047  12.840  1.00 19.19    -0.271 OA
-ATOM   7968  CB  GLU D 190      77.954 121.261  13.122  1.00 19.98     0.045 C 
-ATOM   7969  CG  GLU D 190      76.664 121.623  12.410  1.00 23.57     0.116 C 
-ATOM   7970  CD  GLU D 190      75.789 122.577  13.216  1.00 27.07     0.172 C 
-ATOM   7971  OE1 GLU D 190      75.212 122.134  14.239  1.00 26.94    -0.648 OA
-ATOM   7972  OE2 GLU D 190      75.681 123.780  12.832  1.00 29.35    -0.648 OA
-ATOM   7973  N   ALA D 191      80.459 121.713  14.839  1.00 17.45    -0.346 N 
-ATOM   7974  HN  ALA D 191      79.688 122.184  15.313  1.00  0.00     0.163 HD
-ATOM   7975  CA  ALA D 191      81.562 121.215  15.660  1.00 16.52     0.172 C 
-ATOM   7976  C   ALA D 191      81.270 119.790  16.088  1.00 15.92     0.240 C 
-ATOM   7977  O   ALA D 191      80.134 119.466  16.391  1.00 14.90    -0.271 OA
-ATOM   7978  CB  ALA D 191      81.729 122.116  16.902  1.00 16.63     0.042 C 
-ATOM   7979  N   TYR D 192      82.311 118.958  16.120  1.00 15.86    -0.346 N 
-ATOM   7980  HN  TYR D 192      83.219 119.315  15.823  1.00  0.00     0.163 HD
-ATOM   7981  CA  TYR D 192      82.231 117.569  16.554  1.00 16.25     0.180 C 
-ATOM   7982  C   TYR D 192      83.082 117.423  17.786  1.00 16.87     0.241 C 
-ATOM   7983  O   TYR D 192      84.207 117.897  17.824  1.00 17.24    -0.271 OA
-ATOM   7984  CB  TYR D 192      82.741 116.617  15.449  1.00 15.67     0.073 C 
-ATOM   7985  CG  TYR D 192      81.861 116.654  14.232  1.00 15.78    -0.056 A 
-ATOM   7986  CD1 TYR D 192      81.979 117.668  13.279  1.00 15.91     0.010 A 
-ATOM   7987  CD2 TYR D 192      80.873 115.724  14.075  1.00 15.34     0.010 A 
-ATOM   7988  CE1 TYR D 192      81.126 117.704  12.169  1.00 16.76     0.037 A 
-ATOM   7989  CE2 TYR D 192      80.015 115.738  12.963  1.00 16.21     0.037 A 
-ATOM   7990  CZ  TYR D 192      80.144 116.730  12.029  1.00 16.52     0.065 A 
-ATOM   7991  OH  TYR D 192      79.266 116.733  10.969  1.00 18.05    -0.361 OA
-ATOM   7992  HH  TYR D 192      79.356 117.422  10.321  1.00  0.00     0.217 HD
-ATOM   7993  N   GLU D 193      82.545 116.775  18.802  1.00 17.26    -0.346 N 
-ATOM   7994  HN  GLU D 193      81.589 116.427  18.730  1.00  0.00     0.163 HD
-ATOM   7995  CA  GLU D 193      83.299 116.553  20.019  1.00 17.99     0.177 C 
-ATOM   7996  C   GLU D 193      84.131 115.279  19.955  1.00 18.54     0.241 C 
-ATOM   7997  O   GLU D 193      83.742 114.307  19.327  1.00 18.18    -0.271 OA
-ATOM   7998  CB  GLU D 193      82.353 116.507  21.214  1.00 18.07     0.045 C 
-ATOM   7999  CG  GLU D 193      81.676 117.843  21.467  1.00 18.15     0.116 C 
-ATOM   8000  CD  GLU D 193      80.900 117.864  22.763  1.00 19.98     0.172 C 
-ATOM   8001  OE1 GLU D 193      81.052 116.895  23.545  1.00 20.16    -0.648 OA
-ATOM   8002  OE2 GLU D 193      80.159 118.857  23.015  1.00 21.57    -0.648 OA
-ATOM   8003  N   ASP D 194      85.288 115.319  20.598  1.00 19.28    -0.346 N 
-ATOM   8004  HN  ASP D 194      85.601 116.206  20.992  1.00  0.00     0.163 HD
-ATOM   8005  CA  ASP D 194      86.124 114.151  20.762  1.00 20.29     0.186 C 
-ATOM   8006  C   ASP D 194      86.731 114.115  22.168  1.00 20.06     0.241 C 
-ATOM   8007  O   ASP D 194      86.823 115.156  22.867  1.00 19.08    -0.271 OA
-ATOM   8008  CB  ASP D 194      87.221 114.111  19.701  1.00 20.73     0.147 C 
-ATOM   8009  CG  ASP D 194      88.261 115.219  19.887  1.00 24.82     0.175 C 
-ATOM   8010  OD1 ASP D 194      89.050 115.147  20.866  1.00 27.87    -0.648 OA
-ATOM   8011  OD2 ASP D 194      88.377 116.190  19.088  1.00 29.08    -0.648 OA
-ATOM   8012  N   VAL D 195      87.088 112.904  22.590  1.00 19.43    -0.346 N 
-ATOM   8013  HN  VAL D 195      86.734 112.078  22.107  1.00  0.00     0.163 HD
-ATOM   8014  CA  VAL D 195      87.982 112.742  23.737  1.00 19.79     0.180 C 
-ATOM   8015  C   VAL D 195      89.389 112.336  23.261  1.00 19.35     0.241 C 
-ATOM   8016  O   VAL D 195      89.546 111.448  22.400  1.00 18.78    -0.271 OA
-ATOM   8017  CB  VAL D 195      87.440 111.712  24.738  1.00 20.01     0.009 C 
-ATOM   8018  CG1 VAL D 195      88.449 111.503  25.880  1.00 21.02     0.012 C 
-ATOM   8019  CG2 VAL D 195      86.129 112.201  25.298  1.00 20.49     0.012 C 
-ATOM   8020  N   GLU D 196      90.401 113.029  23.771  1.00 18.85    -0.346 N 
-ATOM   8021  HN  GLU D 196      90.200 113.834  24.365  1.00  0.00     0.163 HD
-ATOM   8022  CA  GLU D 196      91.790 112.673  23.507  1.00 19.25     0.177 C 
-ATOM   8023  C   GLU D 196      92.340 111.948  24.724  1.00 18.55     0.241 C 
-ATOM   8024  O   GLU D 196      92.347 112.500  25.825  1.00 18.73    -0.271 OA
-ATOM   8025  CB  GLU D 196      92.648 113.889  23.148  1.00 19.18     0.045 C 
-ATOM   8026  CG  GLU D 196      92.663 114.211  21.660  1.00 23.26     0.116 C 
-ATOM   8027  CD  GLU D 196      93.240 115.600  21.303  1.00 27.74     0.172 C 
-ATOM   8028  OE1 GLU D 196      93.783 116.289  22.189  1.00 28.49    -0.648 OA
-ATOM   8029  OE2 GLU D 196      93.144 116.009  20.118  1.00 28.24    -0.648 OA
-ATOM   8030  N   VAL D 197      92.755 110.703  24.514  1.00 18.05    -0.346 N 
-ATOM   8031  HN  VAL D 197      92.696 110.320  23.571  1.00  0.00     0.163 HD
-ATOM   8032  CA  VAL D 197      93.291 109.864  25.576  1.00 17.71     0.180 C 
-ATOM   8033  C   VAL D 197      94.822 109.772  25.406  1.00 17.53     0.241 C 
-ATOM   8034  O   VAL D 197      95.328 109.235  24.417  1.00 17.03    -0.271 OA
-ATOM   8035  CB  VAL D 197      92.643 108.471  25.573  1.00 18.11     0.009 C 
-ATOM   8036  CG1 VAL D 197      93.224 107.592  26.673  1.00 17.35     0.012 C 
-ATOM   8037  CG2 VAL D 197      91.105 108.597  25.710  1.00 18.17     0.012 C 
-ATOM   8038  N   SER D 198      95.546 110.354  26.357  1.00 17.25    -0.344 N 
-ATOM   8039  HN  SER D 198      95.073 110.801  27.142  1.00  0.00     0.163 HD
-ATOM   8040  CA  SER D 198      97.003 110.367  26.300  1.00 17.56     0.200 C 
-ATOM   8041  C   SER D 198      97.551 109.218  27.134  1.00 17.40     0.243 C 
-ATOM   8042  O   SER D 198      97.408 109.200  28.374  1.00 17.15    -0.271 OA
-ATOM   8043  CB  SER D 198      97.571 111.712  26.789  1.00 17.69     0.199 C 
-ATOM   8044  OG  SER D 198      97.211 112.767  25.898  1.00 19.70    -0.398 OA
-ATOM   8045  HG  SER D 198      97.561 113.597  26.200  1.00  0.00     0.209 HD
-ATOM   8046  N   LEU D 199      98.166 108.263  26.444  1.00 16.90    -0.346 N 
-ATOM   8047  HN  LEU D 199      98.205 108.331  25.427  1.00  0.00     0.163 HD
-ATOM   8048  CA  LEU D 199      98.783 107.128  27.101  1.00 16.88     0.177 C 
-ATOM   8049  C   LEU D 199     100.274 107.364  27.233  1.00 16.41     0.241 C 
-ATOM   8050  O   LEU D 199     100.990 107.373  26.246  1.00 16.23    -0.271 OA
-ATOM   8051  CB  LEU D 199      98.486 105.851  26.298  1.00 17.01     0.038 C 
-ATOM   8052  CG  LEU D 199      99.246 104.571  26.615  1.00 18.14    -0.020 C 
-ATOM   8053  CD1 LEU D 199      98.842 104.030  27.972  1.00 18.59     0.009 C 
-ATOM   8054  CD2 LEU D 199      98.911 103.591  25.510  1.00 19.03     0.009 C 
-ATOM   8055  N   ASN D 200     100.726 107.549  28.468  1.00 16.12    -0.346 N 
-ATOM   8056  HN  ASN D 200     100.055 107.562  29.236  1.00  0.00     0.163 HD
-ATOM   8057  CA  ASN D 200     102.137 107.734  28.773  1.00 15.93     0.185 C 
-ATOM   8058  C   ASN D 200     102.703 106.365  29.176  1.00 15.31     0.241 C 
-ATOM   8059  O   ASN D 200     102.331 105.783  30.215  1.00 14.90    -0.271 OA
-ATOM   8060  CB  ASN D 200     102.322 108.819  29.867  1.00 15.77     0.137 C 
-ATOM   8061  CG  ASN D 200     103.772 109.156  30.146  1.00 17.16     0.217 C 
-ATOM   8062  ND2 ASN D 200     104.637 108.973  29.156  1.00 18.30    -0.370 N 
-ATOM   8063 1HD2 ASN D 200     105.614 109.200  29.344  1.00  0.00     0.159 HD
-ATOM   8064 2HD2 ASN D 200     104.360 108.608  28.245  1.00  0.00     0.159 HD
-ATOM   8065  OD1 ASN D 200     104.108 109.600  31.253  1.00 17.82    -0.274 OA
-ATOM   8066  N   PHE D 201     103.611 105.850  28.356  1.00 14.41    -0.346 N 
-ATOM   8067  HN  PHE D 201     103.954 106.391  27.562  1.00  0.00     0.163 HD
-ATOM   8068  CA  PHE D 201     104.113 104.506  28.601  1.00 14.25     0.180 C 
-ATOM   8069  C   PHE D 201     105.585 104.365  28.233  1.00 13.18     0.241 C 
-ATOM   8070  O   PHE D 201     106.125 105.209  27.542  1.00 12.98    -0.271 OA
-ATOM   8071  CB  PHE D 201     103.241 103.494  27.827  1.00 14.23     0.073 C 
-ATOM   8072  CG  PHE D 201     103.508 103.477  26.348  1.00 15.29    -0.056 A 
-ATOM   8073  CD1 PHE D 201     103.005 104.479  25.538  1.00 15.71     0.007 A 
-ATOM   8074  CD2 PHE D 201     104.248 102.456  25.766  1.00 16.04     0.007 A 
-ATOM   8075  CE1 PHE D 201     103.238 104.489  24.171  1.00 16.32     0.001 A 
-ATOM   8076  CE2 PHE D 201     104.489 102.451  24.400  1.00 16.41     0.001 A 
-ATOM   8077  CZ  PHE D 201     103.987 103.475  23.592  1.00 16.16     0.000 A 
-ATOM   8078  N   ARG D 202     106.222 103.290  28.677  1.00 10.76    -0.346 N 
-ATOM   8079  HN  ARG D 202     105.757 102.646  29.316  1.00  0.00     0.163 HD
-ATOM   8080  CA  ARG D 202     107.585 103.035  28.248  1.00  9.93     0.176 C 
-ATOM   8081  C   ARG D 202     107.935 101.549  28.218  1.00  9.12     0.241 C 
-ATOM   8082  O   ARG D 202     107.220 100.715  28.776  1.00  7.43    -0.271 OA
-ATOM   8083  CB  ARG D 202     108.572 103.848  29.085  1.00  9.07     0.036 C 
-ATOM   8084  CG  ARG D 202     108.937 103.239  30.441  1.00 11.95     0.023 C 
-ATOM   8085  CD  ARG D 202     110.345 103.659  30.897  1.00 17.48     0.138 C 
-ATOM   8086  NE  ARG D 202     110.956 102.718  31.826  1.00 23.28    -0.227 N 
-ATOM   8087  HE  ARG D 202     111.649 102.061  31.466  1.00  0.00     0.177 HD
-ATOM   8088  CZ  ARG D 202     110.657 102.674  33.110  1.00 27.76     0.665 C 
-ATOM   8089  NH1 ARG D 202     109.765 103.531  33.622  1.00 29.36    -0.235 N 
-ATOM   8090 1HH1 ARG D 202     109.314 104.222  33.022  1.00  0.00     0.174 HD
-ATOM   8091 2HH1 ARG D 202     109.534 103.497  34.615  1.00  0.00     0.174 HD
-ATOM   8092  NH2 ARG D 202     111.243 101.776  33.889  1.00 30.72    -0.235 N 
-ATOM   8093 1HH2 ARG D 202     111.923 101.123  33.499  1.00  0.00     0.174 HD
-ATOM   8094 2HH2 ARG D 202     111.012 101.742  34.882  1.00  0.00     0.174 HD
-ATOM   8095  N   LYS D 203     109.052 101.227  27.566  1.00  9.92    -0.346 N 
-ATOM   8096  HN  LYS D 203     109.592 101.961  27.107  1.00  0.00     0.163 HD
-ATOM   8097  CA  LYS D 203     109.517  99.851  27.495  1.00 10.17     0.176 C 
-ATOM   8098  C   LYS D 203     110.265  99.479  28.755  1.00  9.17     0.241 C 
-ATOM   8099  O   LYS D 203     111.147 100.197  29.202  1.00  9.32    -0.271 OA
-ATOM   8100  CB  LYS D 203     110.351  99.589  26.244  1.00 11.29     0.035 C 
-ATOM   8101  CG  LYS D 203     110.334  98.091  25.803  1.00 13.09     0.004 C 
-ATOM   8102  CD  LYS D 203     111.531  97.740  24.873  1.00 17.57     0.027 C 
-ATOM   8103  CE  LYS D 203     111.103  97.735  23.359  1.00 21.56     0.229 C 
-ATOM   8104  NZ  LYS D 203     111.418  99.026  22.580  1.00 18.97    -0.079 N 
-ATOM   8105  HZ1 LYS D 203     111.141  99.023  21.598  1.00  0.00     0.274 HD
-ATOM   8106  HZ2 LYS D 203     112.409  99.252  22.663  1.00  0.00     0.274 HD
-ATOM   8107  HZ3 LYS D 203     111.010  99.830  23.056  1.00  0.00     0.274 HD
-ATOM   8108  N   LYS D 204     109.867  98.379  29.364  1.00  8.76    -0.346 N 
-ATOM   8109  HN  LYS D 204     109.067  97.856  29.007  1.00  0.00     0.163 HD
-ATOM   8110  CA  LYS D 204     110.573  97.916  30.544  1.00  9.65     0.176 C 
-ATOM   8111  C   LYS D 204     111.922  97.384  30.080  1.00  9.50     0.240 C 
-ATOM   8112  O   LYS D 204     112.005  96.838  28.992  1.00  8.86    -0.271 OA
-ATOM   8113  CB  LYS D 204     109.767  96.832  31.282  1.00  9.80     0.035 C 
-ATOM   8114  CG  LYS D 204     108.538  97.375  32.006  1.00 11.08     0.004 C 
-ATOM   8115  CD  LYS D 204     107.330  96.417  31.954  1.00 16.57     0.027 C 
-ATOM   8116  CE  LYS D 204     107.561  95.081  32.667  1.00 17.95     0.229 C 
-ATOM   8117  NZ  LYS D 204     106.301  94.254  32.628  1.00 18.28    -0.079 N 
-ATOM   8118  HZ1 LYS D 204     106.455  93.364  33.103  1.00  0.00     0.274 HD
-ATOM   8119  HZ2 LYS D 204     105.956  94.126  31.677  1.00  0.00     0.274 HD
-ATOM   8120  HZ3 LYS D 204     105.500  94.758  33.009  1.00  0.00     0.274 HD
-ATOM   8121  N   GLY D 205     112.970  97.592  30.884  1.00 10.51    -0.351 N 
-ATOM   8122  HN  GLY D 205     112.853  98.220  31.679  1.00  0.00     0.163 HD
-ATOM   8123  CA  GLY D 205     114.276  96.965  30.682  1.00 11.45     0.225 C 
-ATOM   8124  C   GLY D 205     114.295  95.573  31.295  1.00 11.99     0.236 C 
-ATOM   8125  O   GLY D 205     113.517  95.304  32.206  1.00 11.60    -0.272 OA
-ATOM   8126  N   ARG D 206     115.186  94.696  30.824  1.00 12.98    -0.346 N 
-ATOM   8127  HN  ARG D 206     115.898  95.011  30.165  1.00  0.00     0.163 HD
-ATOM   8128  CA  ARG D 206     115.159  93.280  31.239  1.00 13.34     0.176 C 
-ATOM   8129  C   ARG D 206     115.173  93.055  32.764  1.00 13.39     0.241 C 
-ATOM   8130  O   ARG D 206     114.384  92.258  33.278  1.00 13.83    -0.271 OA
-ATOM   8131  CB  ARG D 206     116.233  92.441  30.519  1.00 13.53     0.036 C 
-ATOM   8132  CG  ARG D 206     117.686  92.819  30.787  1.00 13.09     0.023 C 
-ATOM   8133  CD  ARG D 206     118.674  92.155  29.848  1.00 11.86     0.138 C 
-ATOM   8134  NE  ARG D 206     119.214  90.920  30.434  1.00 15.22    -0.227 N 
-ATOM   8135  HE  ARG D 206     120.106  90.985  30.924  1.00  0.00     0.177 HD
-ATOM   8136  CZ  ARG D 206     118.632  89.719  30.377  1.00 13.41     0.665 C 
-ATOM   8137  NH1 ARG D 206     117.470  89.540  29.756  1.00 13.11    -0.235 N 
-ATOM   8138 1HH1 ARG D 206     117.026  88.623  29.712  1.00  0.00     0.174 HD
-ATOM   8139 2HH1 ARG D 206     117.013  90.336  29.311  1.00  0.00     0.174 HD
-ATOM   8140  NH2 ARG D 206     119.222  88.691  30.952  1.00 14.14    -0.235 N 
-ATOM   8141 1HH2 ARG D 206     118.778  87.774  30.908  1.00  0.00     0.174 HD
-ATOM   8142 2HH2 ARG D 206     120.113  88.828  31.428  1.00  0.00     0.174 HD
-ATOM   8143  N   SER D 207     116.041  93.774  33.474  1.00 13.07    -0.346 N 
-ATOM   8144  HN  SER D 207     116.764  94.301  32.985  1.00  0.00     0.163 HD
-ATOM   8145  CA  SER D 207     115.987  93.830  34.938  1.00 13.08     0.169 C 
-ATOM   8146  C   SER D 207     114.648  94.401  35.434  1.00 13.50     0.258 C 
-ATOM   8147  O   SER D 207     113.791  94.477  35.077  1.00 20.00    -0.305 OA
-ATOM   8148  CB  SER D 207     117.125  94.679  35.481  1.00 12.89     0.196 C 
-ATOM   8149  OG  SER D 207     117.032  96.021  35.044  1.00 12.46    -0.398 OA
-ATOM   8150  HG  SER D 207     117.743  96.552  35.383  1.00  0.00     0.209 HD
-TER    8151      SER D 207 
-ATOM   8151  N   GLU E   0      55.418 118.013  10.737  1.00 24.64    -0.066 N 
-ATOM   8152  HN1 GLU E   0      55.189 119.006  10.697  1.00  0.00     0.275 HD
-ATOM   8153  HN2 GLU E   0      54.568 117.461  10.852  1.00  0.00     0.275 HD
-ATOM   8154  HN3 GLU E   0      55.721 117.686   9.820  1.00  0.00     0.275 HD
-ATOM   8155  CA  GLU E   0      56.438 117.628  11.793  1.00 25.50     0.275 C 
-ATOM   8156  C   GLU E   0      56.784 116.129  11.853  1.00 24.93     0.249 C 
-ATOM   8157  O   GLU E   0      55.944 115.275  12.157  1.00 25.16    -0.271 OA
-ATOM   8158  CB  GLU E   0      56.075 118.168  13.199  1.00 25.77     0.053 C 
-ATOM   8159  CG  GLU E   0      56.686 117.396  14.372  1.00 28.36     0.115 C 
-ATOM   8160  CD  GLU E   0      57.523 118.248  15.329  1.00 32.24     0.172 C 
-ATOM   8161  OE1 GLU E   0      56.941 119.054  16.098  1.00 33.30    -0.648 OA
-ATOM   8162  OE2 GLU E   0      58.771 118.090  15.346  1.00 33.17    -0.648 OA
-ATOM   8163  N   PHE E   1      58.047 115.841  11.571  1.00 23.15    -0.346 N 
-ATOM   8164  HN  PHE E   1      58.652 116.588  11.229  1.00  0.00     0.163 HD
-ATOM   8165  CA  PHE E   1      58.609 114.512  11.727  1.00 22.71     0.180 C 
-ATOM   8166  C   PHE E   1      59.722 114.562  12.747  1.00 21.90     0.241 C 
-ATOM   8167  O   PHE E   1      60.491 115.521  12.775  1.00 22.21    -0.271 OA
-ATOM   8168  CB  PHE E   1      59.250 114.034  10.416  1.00 22.61     0.073 C 
-ATOM   8169  CG  PHE E   1      58.386 114.211   9.212  1.00 24.50    -0.056 A 
-ATOM   8170  CD1 PHE E   1      57.290 113.378   9.003  1.00 26.23     0.007 A 
-ATOM   8171  CD2 PHE E   1      58.661 115.207   8.279  1.00 25.74     0.007 A 
-ATOM   8172  CE1 PHE E   1      56.478 113.538   7.870  1.00 27.99     0.001 A 
-ATOM   8173  CE2 PHE E   1      57.851 115.378   7.151  1.00 26.77     0.001 A 
-ATOM   8174  CZ  PHE E   1      56.763 114.542   6.945  1.00 28.09     0.000 A 
-ATOM   8175  N   ASP E   2      59.841 113.518  13.555  1.00 20.96    -0.345 N 
-ATOM   8176  HN  ASP E   2      59.088 112.833  13.618  1.00  0.00     0.163 HD
-ATOM   8177  CA  ASP E   2      61.053 113.349  14.356  1.00 20.18     0.186 C 
-ATOM   8178  C   ASP E   2      62.065 112.431  13.633  1.00 19.50     0.241 C 
-ATOM   8179  O   ASP E   2      61.783 111.886  12.557  1.00 18.36    -0.271 OA
-ATOM   8180  CB  ASP E   2      60.733 112.882  15.788  1.00 20.72     0.147 C 
-ATOM   8181  CG  ASP E   2      60.101 111.513  15.845  1.00 21.78     0.175 C 
-ATOM   8182  OD1 ASP E   2      60.148 110.759  14.868  1.00 22.87    -0.648 OA
-ATOM   8183  OD2 ASP E   2      59.516 111.087  16.846  1.00 24.16    -0.648 OA
-ATOM   8184  N   ARG E   3      63.253 112.287  14.220  1.00 18.68    -0.346 N 
-ATOM   8185  HN  ARG E   3      63.418 112.724  15.127  1.00  0.00     0.163 HD
-ATOM   8186  CA  ARG E   3      64.314 111.524  13.598  1.00 17.86     0.176 C 
-ATOM   8187  C   ARG E   3      63.865 110.111  13.291  1.00 17.21     0.241 C 
-ATOM   8188  O   ARG E   3      64.170 109.577  12.226  1.00 16.94    -0.271 OA
-ATOM   8189  CB  ARG E   3      65.551 111.483  14.492  1.00 18.07     0.036 C 
-ATOM   8190  CG  ARG E   3      66.509 112.616  14.237  1.00 18.68     0.023 C 
-ATOM   8191  CD  ARG E   3      67.428 112.916  15.401  1.00 19.24     0.138 C 
-ATOM   8192  NE  ARG E   3      68.239 114.086  15.111  1.00 22.07    -0.227 N 
-ATOM   8193  HE  ARG E   3      69.009 113.969  14.452  1.00  0.00     0.177 HD
-ATOM   8194  CZ  ARG E   3      68.061 115.304  15.635  1.00 25.86     0.665 C 
-ATOM   8195  NH1 ARG E   3      67.080 115.557  16.514  1.00 27.28    -0.235 N 
-ATOM   8196 1HH1 ARG E   3      66.454 114.801  16.792  1.00  0.00     0.174 HD
-ATOM   8197 2HH1 ARG E   3      66.944 116.486  16.914  1.00  0.00     0.174 HD
-ATOM   8198  NH2 ARG E   3      68.880 116.292  15.272  1.00 26.25    -0.235 N 
-ATOM   8199 1HH2 ARG E   3      69.626 116.100  14.604  1.00  0.00     0.174 HD
-ATOM   8200 2HH2 ARG E   3      68.744 117.221  15.672  1.00  0.00     0.174 HD
-ATOM   8201  N   ALA E   4      63.103 109.530  14.218  1.00 16.36    -0.346 N 
-ATOM   8202  HN  ALA E   4      62.883 110.049  15.068  1.00  0.00     0.163 HD
-ATOM   8203  CA  ALA E   4      62.575 108.187  14.063  1.00 15.75     0.172 C 
-ATOM   8204  C   ALA E   4      61.713 108.073  12.809  1.00 15.64     0.240 C 
-ATOM   8205  O   ALA E   4      61.868 107.113  12.071  1.00 15.09    -0.271 OA
-ATOM   8206  CB  ALA E   4      61.787 107.775  15.306  1.00 15.49     0.042 C 
-ATOM   8207  N   ASP E   5      60.835 109.051  12.577  1.00 15.68    -0.346 N 
-ATOM   8208  HN  ASP E   5      60.772 109.817  13.247  1.00  0.00     0.163 HD
-ATOM   8209  CA  ASP E   5      59.953 109.075  11.399  1.00 16.37     0.186 C 
-ATOM   8210  C   ASP E   5      60.763 109.228  10.125  1.00 15.93     0.241 C 
-ATOM   8211  O   ASP E   5      60.551 108.484   9.143  1.00 15.88    -0.271 OA
-ATOM   8212  CB  ASP E   5      58.938 110.225  11.463  1.00 17.13     0.147 C 
-ATOM   8213  CG  ASP E   5      58.001 110.123  12.639  1.00 20.95     0.175 C 
-ATOM   8214  OD1 ASP E   5      57.727 108.977  13.096  1.00 24.25    -0.648 OA
-ATOM   8215  OD2 ASP E   5      57.479 111.146  13.166  1.00 25.36    -0.648 OA
-ATOM   8216  N   ILE E   6      61.685 110.186  10.119  1.00 15.30    -0.346 N 
-ATOM   8217  HN  ILE E   6      61.810 110.772  10.944  1.00  0.00     0.163 HD
-ATOM   8218  CA  ILE E   6      62.524 110.408   8.935  1.00 14.79     0.180 C 
-ATOM   8219  C   ILE E   6      63.248 109.093   8.582  1.00 14.73     0.241 C 
-ATOM   8220  O   ILE E   6      63.254 108.665   7.427  1.00 13.70    -0.271 OA
-ATOM   8221  CB  ILE E   6      63.535 111.586   9.181  1.00 14.43     0.013 C 
-ATOM   8222  CG1 ILE E   6      62.795 112.918   9.431  1.00 14.29     0.002 C 
-ATOM   8223  CG2 ILE E   6      64.538 111.727   8.045  1.00 13.93     0.012 C 
-ATOM   8224  CD1 ILE E   6      63.641 113.947  10.186  1.00 12.54     0.005 C 
-ATOM   8225  N   LEU E   7      63.843 108.451   9.589  1.00 14.86    -0.346 N 
-ATOM   8226  HN  LEU E   7      63.733 108.792  10.544  1.00  0.00     0.163 HD
-ATOM   8227  CA  LEU E   7      64.654 107.257   9.330  1.00 15.60     0.177 C 
-ATOM   8228  C   LEU E   7      63.800 106.059   8.929  1.00 15.52     0.241 C 
-ATOM   8229  O   LEU E   7      64.174 105.296   8.056  1.00 15.08    -0.271 OA
-ATOM   8230  CB  LEU E   7      65.570 106.940  10.511  1.00 16.17     0.038 C 
-ATOM   8231  CG  LEU E   7      66.738 107.947  10.629  1.00 17.45    -0.020 C 
-ATOM   8232  CD1 LEU E   7      67.202 108.058  12.042  1.00 19.02     0.009 C 
-ATOM   8233  CD2 LEU E   7      67.860 107.520   9.745  1.00 19.29     0.009 C 
-ATOM   8234  N   TYR E   8      62.627 105.945   9.529  1.00 15.96    -0.346 N 
-ATOM   8235  HN  TYR E   8      62.416 106.566  10.310  1.00  0.00     0.163 HD
-ATOM   8236  CA  TYR E   8      61.627 104.975   9.124  1.00 17.00     0.180 C 
-ATOM   8237  C   TYR E   8      61.223 105.164   7.673  1.00 16.35     0.241 C 
-ATOM   8238  O   TYR E   8      61.227 104.217   6.899  1.00 15.77    -0.271 OA
-ATOM   8239  CB  TYR E   8      60.390 105.069  10.045  1.00 17.53     0.073 C 
-ATOM   8240  CG  TYR E   8      59.271 104.103   9.701  1.00 20.97    -0.056 A 
-ATOM   8241  CD1 TYR E   8      59.414 102.724   9.910  1.00 24.33     0.010 A 
-ATOM   8242  CD2 TYR E   8      58.076 104.565   9.154  1.00 23.28     0.010 A 
-ATOM   8243  CE1 TYR E   8      58.383 101.840   9.609  1.00 25.96     0.037 A 
-ATOM   8244  CE2 TYR E   8      57.023 103.683   8.834  1.00 25.45     0.037 A 
-ATOM   8245  CZ  TYR E   8      57.186 102.318   9.067  1.00 26.97     0.065 A 
-ATOM   8246  OH  TYR E   8      56.145 101.421   8.757  1.00 28.52    -0.361 OA
-ATOM   8247  HH  TYR E   8      56.256 100.491   8.916  1.00  0.00     0.217 HD
-ATOM   8248  N   ASN E   9      60.870 106.391   7.312  1.00 16.53    -0.346 N 
-ATOM   8249  HN  ASN E   9      60.899 107.148   7.995  1.00  0.00     0.163 HD
-ATOM   8250  CA  ASN E   9      60.438 106.666   5.937  1.00 16.64     0.185 C 
-ATOM   8251  C   ASN E   9      61.527 106.358   4.887  1.00 16.32     0.241 C 
-ATOM   8252  O   ASN E   9      61.236 105.758   3.835  1.00 15.84    -0.271 OA
-ATOM   8253  CB  ASN E   9      59.917 108.086   5.808  1.00 16.69     0.137 C 
-ATOM   8254  CG  ASN E   9      58.610 108.282   6.522  1.00 18.38     0.217 C 
-ATOM   8255  ND2 ASN E   9      58.262 109.532   6.748  1.00 17.79    -0.370 N 
-ATOM   8256 1HD2 ASN E   9      57.375 109.665   7.233  1.00  0.00     0.159 HD
-ATOM   8257 2HD2 ASN E   9      58.828 110.326   6.447  1.00  0.00     0.159 HD
-ATOM   8258  OD1 ASN E   9      57.921 107.316   6.888  1.00 19.58    -0.274 OA
-ATOM   8259  N   ILE E  10      62.768 106.741   5.193  1.00 16.33    -0.346 N 
-ATOM   8260  HN  ILE E  10      62.918 107.259   6.059  1.00  0.00     0.163 HD
-ATOM   8261  CA  ILE E  10      63.915 106.455   4.350  1.00 16.14     0.180 C 
-ATOM   8262  C   ILE E  10      64.127 104.943   4.254  1.00 16.90     0.241 C 
-ATOM   8263  O   ILE E  10      64.272 104.413   3.171  1.00 16.47    -0.271 OA
-ATOM   8264  CB  ILE E  10      65.190 107.134   4.883  1.00 16.42     0.013 C 
-ATOM   8265  CG1 ILE E  10      65.140 108.644   4.603  1.00 15.38     0.002 C 
-ATOM   8266  CG2 ILE E  10      66.446 106.502   4.242  1.00 15.68     0.012 C 
-ATOM   8267  CD1 ILE E  10      66.194 109.446   5.319  1.00 13.95     0.005 C 
-ATOM   8268  N   ARG E  11      64.153 104.263   5.388  1.00 16.28    -0.346 N 
-ATOM   8269  HN  ARG E  11      64.068 104.763   6.273  1.00  0.00     0.163 HD
-ATOM   8270  CA  ARG E  11      64.299 102.835   5.398  1.00 18.53     0.176 C 
-ATOM   8271  C   ARG E  11      63.190 102.121   4.624  1.00 18.18     0.241 C 
-ATOM   8272  O   ARG E  11      63.470 101.169   3.908  1.00 18.62    -0.271 OA
-ATOM   8273  CB  ARG E  11      64.344 102.320   6.821  1.00 18.79     0.036 C 
-ATOM   8274  CG  ARG E  11      65.106 101.032   6.930  1.00 25.15     0.023 C 
-ATOM   8275  CD  ARG E  11      65.299 100.564   8.382  1.00 33.86     0.138 C 
-ATOM   8276  NE  ARG E  11      66.018  99.286   8.434  1.00 40.75    -0.227 N 
-ATOM   8277  HE  ARG E  11      66.913  99.229   7.948  1.00  0.00     0.177 HD
-ATOM   8278  CZ  ARG E  11      65.589  98.186   9.072  1.00 43.47     0.665 C 
-ATOM   8279  NH1 ARG E  11      64.428  98.185   9.735  1.00 43.99    -0.235 N 
-ATOM   8280 1HH1 ARG E  11      64.102  97.349  10.220  1.00  0.00     0.174 HD
-ATOM   8281 2HH1 ARG E  11      63.862  99.033   9.758  1.00  0.00     0.174 HD
-ATOM   8282  NH2 ARG E  11      66.329  97.076   9.042  1.00 43.47    -0.235 N 
-ATOM   8283 1HH2 ARG E  11      66.003  96.240   9.527  1.00  0.00     0.174 HD
-ATOM   8284 2HH2 ARG E  11      67.215  97.077   8.536  1.00  0.00     0.174 HD
-ATOM   8285  N   GLN E  12      61.951 102.588   4.739  1.00 17.87    -0.346 N 
-ATOM   8286  HN  GLN E  12      61.780 103.429   5.290  1.00  0.00     0.163 HD
-ATOM   8287  CA  GLN E  12      60.828 101.911   4.086  1.00 19.24     0.177 C 
-ATOM   8288  C   GLN E  12      60.758 102.104   2.581  1.00 19.93     0.241 C 
-ATOM   8289  O   GLN E  12      60.191 101.292   1.876  1.00 20.71    -0.271 OA
-ATOM   8290  CB  GLN E  12      59.481 102.237   4.789  1.00 19.03     0.044 C 
-ATOM   8291  CG  GLN E  12      59.254 101.374   6.020  1.00 18.94     0.105 C 
-ATOM   8292  CD  GLN E  12      59.052  99.890   5.679  1.00 25.23     0.215 C 
-ATOM   8293  NE2 GLN E  12      60.121  99.107   5.750  1.00 23.73    -0.370 N 
-ATOM   8294 1HE2 GLN E  12      61.039  99.452   6.031  1.00  0.00     0.159 HD
-ATOM   8295 2HE2 GLN E  12      59.987  98.122   5.524  1.00  0.00     0.159 HD
-ATOM   8296  OE1 GLN E  12      57.928  99.467   5.335  1.00 29.21    -0.274 OA
-ATOM   8297  N   THR E  13      61.405 103.143   2.088  1.00 21.07    -0.344 N 
-ATOM   8298  HN  THR E  13      61.953 103.726   2.720  1.00  0.00     0.163 HD
-ATOM   8299  CA  THR E  13      61.365 103.485   0.679  1.00 22.14     0.205 C 
-ATOM   8300  C   THR E  13      62.782 103.608   0.125  1.00 24.38     0.243 C 
-ATOM   8301  O   THR E  13      62.989 104.054  -1.015  1.00 25.37    -0.271 OA
-ATOM   8302  CB  THR E  13      60.574 104.797   0.474  1.00 21.56     0.146 C 
-ATOM   8303  CG2 THR E  13      59.179 104.650   1.060  1.00 19.73     0.042 C 
-ATOM   8304  OG1 THR E  13      61.163 105.846   1.267  1.00 20.54    -0.393 OA
-ATOM   8305  HG1 THR E  13      60.677 106.652   1.141  1.00  0.00     0.210 HD
-ATOM   8306  N   SER E  14      63.756 103.188   0.937  1.00 26.16    -0.344 N 
-ATOM   8307  HN  SER E  14      63.540 103.012   1.918  1.00  0.00     0.163 HD
-ATOM   8308  CA  SER E  14      65.132 102.972   0.459  1.00 26.96     0.200 C 
-ATOM   8309  C   SER E  14      65.062 102.148  -0.811  1.00 26.63     0.243 C 
-ATOM   8310  O   SER E  14      64.515 101.024  -0.808  1.00 27.79    -0.271 OA
-ATOM   8311  CB  SER E  14      65.992 102.258   1.508  1.00 26.83     0.199 C 
-ATOM   8312  OG  SER E  14      65.511 100.942   1.772  1.00 26.08    -0.398 OA
-ATOM   8313  HG  SER E  14      66.044 100.500   2.422  1.00  0.00     0.209 HD
-ATOM   8314  N   ARG E  15      65.527 102.744  -1.906  1.00 25.80    -0.346 N 
-ATOM   8315  HN  ARG E  15      65.766 103.735  -1.874  1.00  0.00     0.163 HD
-ATOM   8316  CA  ARG E  15      65.702 102.003  -3.154  1.00 24.47     0.176 C 
-ATOM   8317  C   ARG E  15      67.223 101.950  -3.405  1.00 23.57     0.243 C 
-ATOM   8318  O   ARG E  15      67.745 102.644  -4.295  1.00 21.91    -0.271 OA
-ATOM   8319  CB  ARG E  15      64.971 102.728  -4.284  1.00 24.96     0.036 C 
-ATOM   8320  CG  ARG E  15      63.503 102.343  -4.480  1.00 25.91     0.023 C 
-ATOM   8321  CD  ARG E  15      63.228 100.842  -4.358  1.00 26.47     0.138 C 
-ATOM   8322  NE  ARG E  15      63.682 100.101  -5.551  1.00 29.15    -0.227 N 
-ATOM   8323  HE  ARG E  15      64.621  99.704  -5.530  1.00  0.00     0.177 HD
-ATOM   8324  CZ  ARG E  15      62.949  99.909  -6.666  1.00 25.47     0.665 C 
-ATOM   8325  NH1 ARG E  15      61.720 100.396  -6.753  1.00 25.39    -0.235 N 
-ATOM   8326 1HH1 ARG E  15      61.165 100.251  -7.597  1.00  0.00     0.174 HD
-ATOM   8327 2HH1 ARG E  15      61.340 100.930  -5.971  1.00  0.00     0.174 HD
-ATOM   8328  NH2 ARG E  15      63.445  99.213  -7.685  1.00 21.43    -0.235 N 
-ATOM   8329 1HH2 ARG E  15      62.890  99.068  -8.529  1.00  0.00     0.174 HD
-ATOM   8330 2HH2 ARG E  15      64.391  98.838  -7.618  1.00  0.00     0.174 HD
-ATOM   8331  N   PRO E  16      67.917 101.157  -2.585  1.00 22.76    -0.337 N 
-ATOM   8332  CA  PRO E  16      69.397 101.157  -2.518  1.00 22.25     0.179 C 
-ATOM   8333  C   PRO E  16      70.129 100.815  -3.839  1.00 21.05     0.241 C 
-ATOM   8334  O   PRO E  16      71.277 101.270  -4.028  1.00 19.91    -0.271 OA
-ATOM   8335  CB  PRO E  16      69.715 100.088  -1.443  1.00 22.09     0.037 C 
-ATOM   8336  CG  PRO E  16      68.433  99.965  -0.605  1.00 22.98     0.022 C 
-ATOM   8337  CD  PRO E  16      67.312 100.225  -1.607  1.00 23.39     0.127 C 
-ATOM   8338  N   ASP E  17      69.471 100.041  -4.697  1.00 19.25    -0.346 N 
-ATOM   8339  HN  ASP E  17      68.536  99.725  -4.439  1.00  0.00     0.163 HD
-ATOM   8340  CA  ASP E  17      70.005  99.618  -5.981  1.00 19.89     0.186 C 
-ATOM   8341  C   ASP E  17      69.618 100.555  -7.103  1.00 18.71     0.241 C 
-ATOM   8342  O   ASP E  17      69.944 100.299  -8.260  1.00 18.76    -0.271 OA
-ATOM   8343  CB  ASP E  17      69.452  98.235  -6.371  1.00 19.93     0.147 C 
-ATOM   8344  CG  ASP E  17      69.716  97.175  -5.327  1.00 25.04     0.175 C 
-ATOM   8345  OD1 ASP E  17      70.673  97.347  -4.516  1.00 29.41    -0.648 OA
-ATOM   8346  OD2 ASP E  17      69.024  96.116  -5.255  1.00 28.91    -0.648 OA
-ATOM   8347  N   VAL E  18      68.863 101.595  -6.804  1.00 17.71    -0.346 N 
-ATOM   8348  HN  VAL E  18      68.619 101.802  -5.836  1.00  0.00     0.163 HD
-ATOM   8349  CA  VAL E  18      68.389 102.437  -7.887  1.00 17.52     0.180 C 
-ATOM   8350  C   VAL E  18      69.180 103.730  -7.885  1.00 17.42     0.241 C 
-ATOM   8351  O   VAL E  18      69.094 104.506  -6.957  1.00 16.83    -0.271 OA
-ATOM   8352  CB  VAL E  18      66.869 102.679  -7.805  1.00 17.37     0.009 C 
-ATOM   8353  CG1 VAL E  18      66.428 103.538  -8.939  1.00 17.18     0.012 C 
-ATOM   8354  CG2 VAL E  18      66.110 101.343  -7.776  1.00 16.01     0.012 C 
-ATOM   8355  N   ILE E  19      69.963 103.944  -8.928  1.00 17.52    -0.346 N 
-ATOM   8356  HN  ILE E  19      70.089 103.203  -9.617  1.00  0.00     0.163 HD
-ATOM   8357  CA  ILE E  19      70.655 105.225  -9.117  1.00 18.10     0.180 C 
-ATOM   8358  C   ILE E  19      69.622 106.388  -9.224  1.00 18.92     0.243 C 
-ATOM   8359  O   ILE E  19      68.664 106.298  -9.996  1.00 18.28    -0.271 OA
-ATOM   8360  CB  ILE E  19      71.598 105.156 -10.353  1.00 17.75     0.013 C 
-ATOM   8361  CG1 ILE E  19      72.380 106.473 -10.537  1.00 17.42     0.002 C 
-ATOM   8362  CG2 ILE E  19      70.829 104.736 -11.627  1.00 16.78     0.012 C 
-ATOM   8363  CD1 ILE E  19      73.442 106.407 -11.606  1.00 16.12     0.005 C 
-ATOM   8364  N   PRO E  20      69.788 107.434  -8.413  1.00 19.87    -0.337 N 
-ATOM   8365  CA  PRO E  20      68.799 108.520  -8.327  1.00 21.22     0.179 C 
-ATOM   8366  C   PRO E  20      68.966 109.497  -9.483  1.00 22.85     0.241 C 
-ATOM   8367  O   PRO E  20      69.154 110.695  -9.299  1.00 22.90    -0.271 OA
-ATOM   8368  CB  PRO E  20      69.152 109.191  -7.000  1.00 20.88     0.037 C 
-ATOM   8369  CG  PRO E  20      70.637 109.018  -6.893  1.00 20.46     0.022 C 
-ATOM   8370  CD  PRO E  20      70.903 107.659  -7.477  1.00 20.38     0.127 C 
-ATOM   8371  N   THR E  21      68.934 108.948 -10.681  1.00 24.81    -0.344 N 
-ATOM   8372  HN  THR E  21      68.921 107.930 -10.743  1.00  0.00     0.163 HD
-ATOM   8373  CA  THR E  21      68.916 109.709 -11.915  1.00 27.43     0.205 C 
-ATOM   8374  C   THR E  21      67.618 110.551 -12.011  1.00 28.89     0.243 C 
-ATOM   8375  O   THR E  21      66.540 110.092 -11.637  1.00 29.14    -0.271 OA
-ATOM   8376  CB  THR E  21      69.018 108.698 -13.073  1.00 27.13     0.146 C 
-ATOM   8377  CG2 THR E  21      68.126 109.088 -14.224  1.00 28.86     0.042 C 
-ATOM   8378  OG1 THR E  21      70.351 108.708 -13.636  1.00 28.63    -0.393 OA
-ATOM   8379  HG1 THR E  21      70.414 108.085 -14.350  1.00  0.00     0.210 HD
-ATOM   8380  N   GLN E  22      67.724 111.780 -12.505  1.00 30.92    -0.346 N 
-ATOM   8381  HN  GLN E  22      68.651 112.166 -12.682  1.00  0.00     0.163 HD
-ATOM   8382  CA  GLN E  22      66.548 112.591 -12.800  1.00 32.64     0.177 C 
-ATOM   8383  C   GLN E  22      66.471 112.769 -14.313  1.00 33.17     0.241 C 
-ATOM   8384  O   GLN E  22      67.490 113.056 -14.962  1.00 33.41    -0.271 OA
-ATOM   8385  CB  GLN E  22      66.644 113.961 -12.123  1.00 33.02     0.044 C 
-ATOM   8386  CG  GLN E  22      66.789 113.944 -10.605  1.00 36.13     0.105 C 
-ATOM   8387  CD  GLN E  22      65.492 114.339  -9.902  1.00 40.20     0.215 C 
-ATOM   8388  NE2 GLN E  22      64.473 113.474 -10.010  1.00 42.17    -0.370 N 
-ATOM   8389 1HE2 GLN E  22      63.607 113.738  -9.540  1.00  0.00     0.159 HD
-ATOM   8390 2HE2 GLN E  22      64.543 112.596 -10.524  1.00  0.00     0.159 HD
-ATOM   8391  OE1 GLN E  22      65.407 115.410  -9.275  1.00 40.43    -0.274 OA
-ATOM   8392  N   ARG E  23      65.288 112.562 -14.884  1.00 33.44    -0.346 N 
-ATOM   8393  HN  ARG E  23      64.508 112.228 -14.318  1.00  0.00     0.163 HD
-ATOM   8394  CA  ARG E  23      65.089 112.806 -16.309  1.00 34.26     0.176 C 
-ATOM   8395  C   ARG E  23      66.340 112.513 -17.166  1.00 33.95     0.241 C 
-ATOM   8396  O   ARG E  23      66.808 113.393 -17.910  1.00 33.84    -0.271 OA
-ATOM   8397  CB  ARG E  23      64.660 114.267 -16.509  1.00 34.81     0.036 C 
-ATOM   8398  CG  ARG E  23      63.653 114.486 -17.614  1.00 37.57     0.023 C 
-ATOM   8399  CD  ARG E  23      63.514 115.941 -18.016  1.00 42.07     0.138 C 
-ATOM   8400  NE  ARG E  23      62.300 116.533 -17.454  1.00 45.00    -0.227 N 
-ATOM   8401  HE  ARG E  23      62.182 116.502 -16.441  1.00  0.00     0.177 HD
-ATOM   8402  CZ  ARG E  23      61.339 117.109 -18.171  1.00 46.30     0.665 C 
-ATOM   8403  NH1 ARG E  23      61.450 117.189 -19.495  1.00 45.93    -0.235 N 
-ATOM   8404 1HH1 ARG E  23      62.270 116.806 -19.965  1.00  0.00     0.174 HD
-ATOM   8405 2HH1 ARG E  23      60.713 117.631 -20.045  1.00  0.00     0.174 HD
-ATOM   8406  NH2 ARG E  23      60.267 117.610 -17.557  1.00 47.01    -0.235 N 
-ATOM   8407 1HH2 ARG E  23      60.182 117.549 -16.542  1.00  0.00     0.174 HD
-ATOM   8408 2HH2 ARG E  23      59.530 118.052 -18.107  1.00  0.00     0.174 HD
-ATOM   8409  N   ASP E  24      66.884 111.298 -17.040  1.00 33.49    -0.346 N 
-ATOM   8410  HN  ASP E  24      66.520 110.680 -16.315  1.00  0.00     0.163 HD
-ATOM   8411  CA  ASP E  24      67.990 110.798 -17.898  1.00 33.39     0.186 C 
-ATOM   8412  C   ASP E  24      69.337 111.592 -17.888  1.00 32.15     0.241 C 
-ATOM   8413  O   ASP E  24      70.125 111.525 -18.852  1.00 31.65    -0.271 OA
-ATOM   8414  CB  ASP E  24      67.502 110.535 -19.340  1.00 33.80     0.147 C 
-ATOM   8415  CG  ASP E  24      67.492 111.799 -20.213  1.00 36.85     0.175 C 
-ATOM   8416  OD1 ASP E  24      68.544 112.129 -20.828  1.00 39.63    -0.648 OA
-ATOM   8417  OD2 ASP E  24      66.466 112.514 -20.370  1.00 38.74    -0.648 OA
-ATOM   8418  N   ARG E  25      69.592 112.320 -16.796  1.00 30.06    -0.346 N 
-ATOM   8419  HN  ARG E  25      68.941 112.282 -16.011  1.00  0.00     0.163 HD
-ATOM   8420  CA  ARG E  25      70.781 113.172 -16.695  1.00 27.82     0.176 C 
-ATOM   8421  C   ARG E  25      71.639 112.678 -15.538  1.00 25.54     0.243 C 
-ATOM   8422  O   ARG E  25      71.099 112.279 -14.501  1.00 25.31    -0.271 OA
-ATOM   8423  CB  ARG E  25      70.405 114.645 -16.515  1.00 27.86     0.036 C 
-ATOM   8424  CG  ARG E  25      70.641 115.522 -17.769  1.00 28.52     0.023 C 
-ATOM   8425  CD  ARG E  25      71.670 116.659 -17.577  1.00 30.11     0.138 C 
-ATOM   8426  NE  ARG E  25      71.842 117.484 -18.781  1.00 31.40    -0.227 N 
-ATOM   8427  HE  ARG E  25      72.592 117.227 -19.423  1.00  0.00     0.177 HD
-ATOM   8428  CZ  ARG E  25      71.092 118.548 -19.103  1.00 30.83     0.665 C 
-ATOM   8429  NH1 ARG E  25      70.098 118.952 -18.311  1.00 29.58    -0.235 N 
-ATOM   8430 1HH1 ARG E  25      69.528 119.761 -18.556  1.00  0.00     0.174 HD
-ATOM   8431 2HH1 ARG E  25      69.909 118.440 -17.450  1.00  0.00     0.174 HD
-ATOM   8432  NH2 ARG E  25      71.339 119.217 -20.228  1.00 29.52    -0.235 N 
-ATOM   8433 1HH2 ARG E  25      70.769 120.026 -20.473  1.00  0.00     0.174 HD
-ATOM   8434 2HH2 ARG E  25      72.099 118.908 -20.834  1.00  0.00     0.174 HD
-ATOM   8435  N   PRO E  26      72.967 112.734 -15.698  1.00 23.03    -0.337 N 
-ATOM   8436  CA  PRO E  26      73.860 111.973 -14.807  1.00 21.10     0.179 C 
-ATOM   8437  C   PRO E  26      73.748 112.453 -13.364  1.00 19.95     0.241 C 
-ATOM   8438  O   PRO E  26      73.475 113.625 -13.132  1.00 19.24    -0.271 OA
-ATOM   8439  CB  PRO E  26      75.266 112.241 -15.371  1.00 21.15     0.037 C 
-ATOM   8440  CG  PRO E  26      75.131 113.530 -16.235  1.00 21.45     0.022 C 
-ATOM   8441  CD  PRO E  26      73.703 113.568 -16.681  1.00 22.28     0.127 C 
-ATOM   8442  N   VAL E  27      73.911 111.539 -12.411  1.00 18.45    -0.346 N 
-ATOM   8443  HN  VAL E  27      73.932 110.553 -12.673  1.00  0.00     0.163 HD
-ATOM   8444  CA  VAL E  27      74.060 111.895 -11.013  1.00 17.71     0.180 C 
-ATOM   8445  C   VAL E  27      75.454 112.512 -10.854  1.00 17.28     0.241 C 
-ATOM   8446  O   VAL E  27      76.447 111.846 -11.152  1.00 16.91    -0.271 OA
-ATOM   8447  CB  VAL E  27      73.940 110.643 -10.103  1.00 17.83     0.009 C 
-ATOM   8448  CG1 VAL E  27      74.234 110.994  -8.646  1.00 17.88     0.012 C 
-ATOM   8449  CG2 VAL E  27      72.553 110.019 -10.210  1.00 17.69     0.012 C 
-ATOM   8450  N   ALA E  28      75.522 113.782 -10.436  1.00 16.45    -0.346 N 
-ATOM   8451  HN  ALA E  28      74.658 114.302 -10.281  1.00  0.00     0.163 HD
-ATOM   8452  CA  ALA E  28      76.805 114.441 -10.197  1.00 16.28     0.172 C 
-ATOM   8453  C   ALA E  28      77.372 114.048  -8.840  1.00 16.23     0.240 C 
-ATOM   8454  O   ALA E  28      76.801 114.363  -7.789  1.00 15.64    -0.271 OA
-ATOM   8455  CB  ALA E  28      76.703 115.966 -10.307  1.00 15.96     0.042 C 
-ATOM   8456  N   VAL E  29      78.507 113.364  -8.882  1.00 16.00    -0.346 N 
-ATOM   8457  HN  VAL E  29      78.926 113.162  -9.790  1.00  0.00     0.163 HD
-ATOM   8458  CA  VAL E  29      79.170 112.896  -7.690  1.00 16.41     0.180 C 
-ATOM   8459  C   VAL E  29      80.481 113.647  -7.501  1.00 17.26     0.241 C 
-ATOM   8460  O   VAL E  29      81.300 113.720  -8.408  1.00 17.46    -0.271 OA
-ATOM   8461  CB  VAL E  29      79.461 111.359  -7.782  1.00 16.12     0.009 C 
-ATOM   8462  CG1 VAL E  29      80.202 110.888  -6.564  1.00 15.03     0.012 C 
-ATOM   8463  CG2 VAL E  29      78.193 110.614  -7.916  1.00 15.78     0.012 C 
-ATOM   8464  N   SER E  30      80.684 114.200  -6.320  1.00 17.82    -0.344 N 
-ATOM   8465  HN  SER E  30      79.947 114.159  -5.616  1.00  0.00     0.163 HD
-ATOM   8466  CA  SER E  30      81.929 114.862  -6.004  1.00 19.03     0.200 C 
-ATOM   8467  C   SER E  30      82.738 113.939  -5.125  1.00 19.51     0.243 C 
-ATOM   8468  O   SER E  30      82.185 113.314  -4.188  1.00 19.37    -0.271 OA
-ATOM   8469  CB  SER E  30      81.690 116.195  -5.279  1.00 18.79     0.199 C 
-ATOM   8470  OG  SER E  30      80.945 117.084  -6.107  1.00 21.45    -0.398 OA
-ATOM   8471  HG  SER E  30      80.797 117.908  -5.659  1.00  0.00     0.209 HD
-ATOM   8472  N   VAL E  31      84.024 113.828  -5.449  1.00 19.66    -0.346 N 
-ATOM   8473  HN  VAL E  31      84.363 114.313  -6.280  1.00  0.00     0.163 HD
-ATOM   8474  CA  VAL E  31      84.960 113.048  -4.672  1.00 20.81     0.180 C 
-ATOM   8475  C   VAL E  31      86.202 113.852  -4.364  1.00 21.20     0.241 C 
-ATOM   8476  O   VAL E  31      86.723 114.583  -5.198  1.00 20.96    -0.271 OA
-ATOM   8477  CB  VAL E  31      85.449 111.770  -5.383  1.00 21.43     0.009 C 
-ATOM   8478  CG1 VAL E  31      85.795 110.702  -4.330  1.00 21.03     0.012 C 
-ATOM   8479  CG2 VAL E  31      84.437 111.241  -6.360  1.00 22.34     0.012 C 
-ATOM   8480  N   SER E  32      86.696 113.668  -3.156  1.00 21.62    -0.344 N 
-ATOM   8481  HN  SER E  32      86.225 113.020  -2.525  1.00  0.00     0.163 HD
-ATOM   8482  CA  SER E  32      87.880 114.351  -2.695  1.00 22.70     0.200 C 
-ATOM   8483  C   SER E  32      88.528 113.448  -1.666  1.00 22.58     0.243 C 
-ATOM   8484  O   SER E  32      87.827 112.912  -0.780  1.00 22.98    -0.271 OA
-ATOM   8485  CB  SER E  32      87.469 115.661  -2.049  1.00 22.78     0.199 C 
-ATOM   8486  OG  SER E  32      88.588 116.239  -1.423  1.00 27.20    -0.398 OA
-ATOM   8487  HG  SER E  32      88.331 117.059  -1.019  1.00  0.00     0.209 HD
-ATOM   8488  N   LEU E  33      89.838 113.242  -1.789  1.00 22.22    -0.346 N 
-ATOM   8489  HN  LEU E  33      90.350 113.683  -2.553  1.00  0.00     0.163 HD
-ATOM   8490  CA  LEU E  33      90.547 112.389  -0.838  1.00 21.74     0.177 C 
-ATOM   8491  C   LEU E  33      91.273 113.267   0.155  1.00 21.83     0.241 C 
-ATOM   8492  O   LEU E  33      92.056 114.136  -0.247  1.00 22.01    -0.271 OA
-ATOM   8493  CB  LEU E  33      91.503 111.430  -1.539  1.00 21.28     0.038 C 
-ATOM   8494  CG  LEU E  33      90.977 110.477  -2.635  1.00 21.43    -0.020 C 
-ATOM   8495  CD1 LEU E  33      92.041 109.499  -3.033  1.00 19.63     0.009 C 
-ATOM   8496  CD2 LEU E  33      89.739 109.735  -2.227  1.00 20.74     0.009 C 
-ATOM   8497  N   LYS E  34      90.998 113.083   1.449  1.00 21.29    -0.346 N 
-ATOM   8498  HN  LYS E  34      90.240 112.457   1.719  1.00  0.00     0.163 HD
-ATOM   8499  CA  LYS E  34      91.773 113.770   2.483  1.00 20.47     0.176 C 
-ATOM   8500  C   LYS E  34      92.752 112.805   3.098  1.00 19.65     0.241 C 
-ATOM   8501  O   LYS E  34      92.373 111.913   3.860  1.00 19.56    -0.271 OA
-ATOM   8502  CB  LYS E  34      90.877 114.352   3.587  1.00 21.18     0.035 C 
-ATOM   8503  CG  LYS E  34      89.603 114.990   3.076  1.00 23.34     0.004 C 
-ATOM   8504  CD  LYS E  34      89.870 116.358   2.523  1.00 27.55     0.027 C 
-ATOM   8505  CE  LYS E  34      88.652 116.886   1.755  1.00 30.50     0.229 C 
-ATOM   8506  NZ  LYS E  34      88.932 118.211   1.087  1.00 33.50    -0.079 N 
-ATOM   8507  HZ1 LYS E  34      88.122 118.562   0.576  1.00  0.00     0.274 HD
-ATOM   8508  HZ2 LYS E  34      89.753 118.155   0.484  1.00  0.00     0.274 HD
-ATOM   8509  HZ3 LYS E  34      89.272 118.899   1.759  1.00  0.00     0.274 HD
-ATOM   8510  N   PHE E  35      94.020 112.987   2.777  1.00 18.60    -0.346 N 
-ATOM   8511  HN  PHE E  35      94.291 113.798   2.220  1.00  0.00     0.163 HD
-ATOM   8512  CA  PHE E  35      95.031 112.040   3.212  1.00 17.53     0.180 C 
-ATOM   8513  C   PHE E  35      95.325 112.173   4.679  1.00 17.06     0.241 C 
-ATOM   8514  O   PHE E  35      95.532 113.297   5.187  1.00 16.43    -0.271 OA
-ATOM   8515  CB  PHE E  35      96.271 112.168   2.337  1.00 17.37     0.073 C 
-ATOM   8516  CG  PHE E  35      96.034 111.711   0.909  1.00 17.51    -0.056 A 
-ATOM   8517  CD1 PHE E  35      96.023 110.360   0.594  1.00 17.89     0.007 A 
-ATOM   8518  CD2 PHE E  35      95.787 112.641  -0.104  1.00 18.31     0.007 A 
-ATOM   8519  CE1 PHE E  35      95.797 109.936  -0.707  1.00 18.97     0.001 A 
-ATOM   8520  CE2 PHE E  35      95.559 112.233  -1.397  1.00 17.88     0.001 A 
-ATOM   8521  CZ  PHE E  35      95.559 110.857  -1.701  1.00 18.17     0.000 A 
-ATOM   8522  N   ILE E  36      95.283 111.031   5.377  1.00 16.22    -0.346 N 
-ATOM   8523  HN  ILE E  36      95.072 110.156   4.897  1.00  0.00     0.163 HD
-ATOM   8524  CA  ILE E  36      95.538 111.020   6.831  1.00 16.15     0.180 C 
-ATOM   8525  C   ILE E  36      96.925 110.470   7.175  1.00 16.42     0.241 C 
-ATOM   8526  O   ILE E  36      97.621 111.002   8.032  1.00 15.92    -0.271 OA
-ATOM   8527  CB  ILE E  36      94.424 110.232   7.565  1.00 16.13     0.013 C 
-ATOM   8528  CG1 ILE E  36      93.058 110.648   7.034  1.00 15.60     0.002 C 
-ATOM   8529  CG2 ILE E  36      94.505 110.478   9.103  1.00 14.83     0.012 C 
-ATOM   8530  CD1 ILE E  36      92.719 112.173   7.233  1.00 13.87     0.005 C 
-ATOM   8531  N   ASN E  37      97.303 109.401   6.480  1.00 17.00    -0.346 N 
-ATOM   8532  HN  ASN E  37      96.677 109.040   5.760  1.00  0.00     0.163 HD
-ATOM   8533  CA  ASN E  37      98.560 108.731   6.701  1.00 18.30     0.185 C 
-ATOM   8534  C   ASN E  37      99.062 107.965   5.485  1.00 18.75     0.241 C 
-ATOM   8535  O   ASN E  37      98.282 107.511   4.662  1.00 18.90    -0.271 OA
-ATOM   8536  CB  ASN E  37      98.484 107.803   7.897  1.00 17.57     0.137 C 
-ATOM   8537  CG  ASN E  37      99.613 108.035   8.854  1.00 20.05     0.217 C 
-ATOM   8538  ND2 ASN E  37      99.250 108.206  10.124  1.00 16.72    -0.370 N 
-ATOM   8539 1HD2 ASN E  37     100.019 108.364  10.776  1.00  0.00     0.159 HD
-ATOM   8540 2HD2 ASN E  37      98.279 108.170  10.434  1.00  0.00     0.159 HD
-ATOM   8541  OD1 ASN E  37     100.832 108.080   8.465  1.00 19.69    -0.274 OA
-ATOM   8542  N   ILE E  38     100.385 107.874   5.384  1.00 19.28    -0.346 N 
-ATOM   8543  HN  ILE E  38     100.961 108.450   5.998  1.00  0.00     0.163 HD
-ATOM   8544  CA  ILE E  38     101.047 106.992   4.439  1.00 19.67     0.180 C 
-ATOM   8545  C   ILE E  38     101.842 106.004   5.291  1.00 20.38     0.241 C 
-ATOM   8546  O   ILE E  38     102.779 106.391   6.018  1.00 20.40    -0.271 OA
-ATOM   8547  CB  ILE E  38     101.937 107.793   3.510  1.00 19.88     0.013 C 
-ATOM   8548  CG1 ILE E  38     101.073 108.781   2.698  1.00 19.82     0.002 C 
-ATOM   8549  CG2 ILE E  38     102.717 106.848   2.588  1.00 19.33     0.012 C 
-ATOM   8550  CD1 ILE E  38     101.841 109.965   2.112  1.00 19.85     0.005 C 
-ATOM   8551  N   LEU E  39     101.430 104.736   5.241  1.00 21.06    -0.346 N 
-ATOM   8552  HN  LEU E  39     100.781 104.448   4.508  1.00  0.00     0.163 HD
-ATOM   8553  CA  LEU E  39     101.893 103.750   6.220  1.00 21.85     0.177 C 
-ATOM   8554  C   LEU E  39     103.060 102.925   5.746  1.00 22.47     0.241 C 
-ATOM   8555  O   LEU E  39     103.875 102.462   6.556  1.00 23.12    -0.271 OA
-ATOM   8556  CB  LEU E  39     100.756 102.809   6.584  1.00 21.69     0.038 C 
-ATOM   8557  CG  LEU E  39      99.531 103.566   7.105  1.00 23.00    -0.020 C 
-ATOM   8558  CD1 LEU E  39      98.392 102.651   7.280  1.00 23.67     0.009 C 
-ATOM   8559  CD2 LEU E  39      99.830 104.271   8.420  1.00 23.07     0.009 C 
-ATOM   8560  N   GLU E  40     103.111 102.706   4.438  1.00 22.53    -0.346 N 
-ATOM   8561  HN  GLU E  40     102.394 103.107   3.834  1.00  0.00     0.163 HD
-ATOM   8562  CA  GLU E  40     104.168 101.907   3.854  1.00 23.12     0.177 C 
-ATOM   8563  C   GLU E  40     104.360 102.287   2.398  1.00 22.23     0.241 C 
-ATOM   8564  O   GLU E  40     103.393 102.455   1.657  1.00 22.59    -0.271 OA
-ATOM   8565  CB  GLU E  40     103.846 100.425   3.981  1.00 23.40     0.045 C 
-ATOM   8566  CG  GLU E  40     105.008  99.533   3.552  1.00 27.29     0.116 C 
-ATOM   8567  CD  GLU E  40     104.703  98.042   3.648  1.00 32.02     0.172 C 
-ATOM   8568  OE1 GLU E  40     103.552  97.639   3.347  1.00 33.03    -0.648 OA
-ATOM   8569  OE2 GLU E  40     105.623  97.274   4.018  1.00 33.40    -0.648 OA
-ATOM   8570  N   VAL E  41     105.613 102.410   2.010  1.00 21.37    -0.346 N 
-ATOM   8571  HN  VAL E  41     106.350 102.223   2.690  1.00  0.00     0.163 HD
-ATOM   8572  CA  VAL E  41     105.999 102.795   0.674  1.00 20.78     0.180 C 
-ATOM   8573  C   VAL E  41     107.105 101.817   0.277  1.00 20.41     0.241 C 
-ATOM   8574  O   VAL E  41     107.966 101.503   1.092  1.00 19.89    -0.271 OA
-ATOM   8575  CB  VAL E  41     106.468 104.263   0.717  1.00 20.80     0.009 C 
-ATOM   8576  CG1 VAL E  41     107.517 104.573  -0.320  1.00 20.89     0.012 C 
-ATOM   8577  CG2 VAL E  41     105.291 105.184   0.587  1.00 20.46     0.012 C 
-ATOM   8578  N   ASN E  42     107.053 101.312  -0.949  1.00 20.33    -0.346 N 
-ATOM   8579  HN  ASN E  42     106.268 101.563  -1.550  1.00  0.00     0.163 HD
-ATOM   8580  CA  ASN E  42     108.067 100.420  -1.466  1.00 20.38     0.185 C 
-ATOM   8581  C   ASN E  42     108.500 100.907  -2.828  1.00 20.62     0.241 C 
-ATOM   8582  O   ASN E  42     107.743 100.798  -3.781  1.00 20.41    -0.271 OA
-ATOM   8583  CB  ASN E  42     107.518  98.996  -1.551  1.00 20.52     0.137 C 
-ATOM   8584  CG  ASN E  42     108.608  97.949  -1.830  1.00 20.69     0.217 C 
-ATOM   8585  ND2 ASN E  42     108.519  96.817  -1.148  1.00 19.29    -0.370 N 
-ATOM   8586 1HD2 ASN E  42     107.774  96.644  -0.473  1.00  0.00     0.159 HD
-ATOM   8587 2HD2 ASN E  42     109.242  96.122  -1.333  1.00  0.00     0.159 HD
-ATOM   8588  OD1 ASN E  42     109.511  98.159  -2.648  1.00 21.49    -0.274 OA
-ATOM   8589  N   GLU E  43     109.719 101.439  -2.905  1.00 21.24    -0.346 N 
-ATOM   8590  HN  GLU E  43     110.316 101.432  -2.078  1.00  0.00     0.163 HD
-ATOM   8591  CA  GLU E  43     110.221 102.029  -4.136  1.00 22.00     0.177 C 
-ATOM   8592  C   GLU E  43     110.560 100.957  -5.182  1.00 21.88     0.241 C 
-ATOM   8593  O   GLU E  43     110.535 101.238  -6.390  1.00 21.83    -0.271 OA
-ATOM   8594  CB  GLU E  43     111.411 102.983  -3.863  1.00 22.28     0.045 C 
-ATOM   8595  CG  GLU E  43     111.451 104.196  -4.800  1.00 24.21     0.116 C 
-ATOM   8596  CD  GLU E  43     112.617 105.141  -4.549  1.00 27.20     0.172 C 
-ATOM   8597  OE1 GLU E  43     113.001 105.302  -3.369  1.00 28.69    -0.648 OA
-ATOM   8598  OE2 GLU E  43     113.149 105.730  -5.533  1.00 27.44    -0.648 OA
-ATOM   8599  N   ILE E  44     110.853  99.739  -4.719  1.00 21.70    -0.346 N 
-ATOM   8600  HN  ILE E  44     110.852  99.576  -3.712  1.00  0.00     0.163 HD
-ATOM   8601  CA  ILE E  44     111.176  98.632  -5.620  1.00 21.87     0.180 C 
-ATOM   8602  C   ILE E  44     109.919  98.155  -6.338  1.00 21.47     0.241 C 
-ATOM   8603  O   ILE E  44     109.918  98.024  -7.554  1.00 21.50    -0.271 OA
-ATOM   8604  CB  ILE E  44     111.877  97.453  -4.864  1.00 22.32     0.013 C 
-ATOM   8605  CG1 ILE E  44     113.142  97.919  -4.102  1.00 22.75     0.002 C 
-ATOM   8606  CG2 ILE E  44     112.177  96.276  -5.818  1.00 22.56     0.012 C 
-ATOM   8607  CD1 ILE E  44     114.216  98.578  -4.959  1.00 24.28     0.005 C 
-ATOM   8608  N   THR E  45     108.846  97.926  -5.581  1.00 20.78    -0.344 N 
-ATOM   8609  HN  THR E  45     108.885  98.142  -4.585  1.00  0.00     0.163 HD
-ATOM   8610  CA  THR E  45     107.619  97.375  -6.141  1.00 20.40     0.205 C 
-ATOM   8611  C   THR E  45     106.634  98.435  -6.636  1.00 19.92     0.243 C 
-ATOM   8612  O   THR E  45     105.664  98.095  -7.294  1.00 19.81    -0.271 OA
-ATOM   8613  CB  THR E  45     106.901  96.399  -5.157  1.00 20.52     0.146 C 
-ATOM   8614  CG2 THR E  45     107.850  95.325  -4.643  1.00 20.12     0.042 C 
-ATOM   8615  OG1 THR E  45     106.453  97.093  -3.979  1.00 20.44    -0.393 OA
-ATOM   8616  HG1 THR E  45     106.016  96.499  -3.380  1.00  0.00     0.210 HD
-ATOM   8617  N   ASN E  46     106.895  99.701  -6.324  1.00 19.28    -0.345 N 
-ATOM   8618  HN  ASN E  46     107.757  99.909  -5.820  1.00  0.00     0.163 HD
-ATOM   8619  CA  ASN E  46     106.008 100.808  -6.668  1.00 18.72     0.185 C 
-ATOM   8620  C   ASN E  46     104.620 100.634  -6.048  1.00 18.83     0.241 C 
-ATOM   8621  O   ASN E  46     103.583 100.746  -6.720  1.00 18.30    -0.271 OA
-ATOM   8622  CB  ASN E  46     105.906 101.009  -8.184  1.00 18.51     0.137 C 
-ATOM   8623  CG  ASN E  46     106.948 101.978  -8.728  1.00 18.27     0.217 C 
-ATOM   8624  ND2 ASN E  46     107.379 101.725  -9.949  1.00 15.42    -0.370 N 
-ATOM   8625 1HD2 ASN E  46     108.077 102.374 -10.313  1.00  0.00     0.159 HD
-ATOM   8626 2HD2 ASN E  46     107.056 100.922 -10.489  1.00  0.00     0.159 HD
-ATOM   8627  OD1 ASN E  46     107.338 102.947  -8.077  1.00 17.27    -0.274 OA
-ATOM   8628  N   GLU E  47     104.614 100.358  -4.752  1.00 18.92    -0.346 N 
-ATOM   8629  HN  GLU E  47     105.505 100.287  -4.261  1.00  0.00     0.163 HD
-ATOM   8630  CA  GLU E  47     103.389 100.153  -4.007  1.00 19.31     0.177 C 
-ATOM   8631  C   GLU E  47     103.363 101.072  -2.792  1.00 19.65     0.241 C 
-ATOM   8632  O   GLU E  47     104.411 101.363  -2.198  1.00 19.47    -0.271 OA
-ATOM   8633  CB  GLU E  47     103.258  98.684  -3.592  1.00 19.53     0.045 C 
-ATOM   8634  CG  GLU E  47     103.097  97.726  -4.786  1.00 21.58     0.116 C 
-ATOM   8635  CD  GLU E  47     103.106  96.248  -4.407  1.00 25.83     0.172 C 
-ATOM   8636  OE1 GLU E  47     102.831  95.913  -3.228  1.00 27.67    -0.648 OA
-ATOM   8637  OE2 GLU E  47     103.379  95.407  -5.301  1.00 27.93    -0.648 OA
-ATOM   8638  N   VAL E  48     102.166 101.536  -2.434  1.00 19.51    -0.346 N 
-ATOM   8639  HN  VAL E  48     101.352 101.270  -2.988  1.00  0.00     0.163 HD
-ATOM   8640  CA  VAL E  48     101.974 102.411  -1.280  1.00 20.15     0.180 C 
-ATOM   8641  C   VAL E  48     100.709 102.007  -0.525  1.00 20.16     0.241 C 
-ATOM   8642  O   VAL E  48      99.725 101.613  -1.119  1.00 20.19    -0.271 OA
-ATOM   8643  CB  VAL E  48     101.897 103.948  -1.667  1.00 20.15     0.009 C 
-ATOM   8644  CG1 VAL E  48     103.083 104.385  -2.451  1.00 20.43     0.012 C 
-ATOM   8645  CG2 VAL E  48     100.658 104.256  -2.475  1.00 20.91     0.012 C 
-ATOM   8646  N   ASP E  49     100.753 102.118   0.791  1.00 20.72    -0.345 N 
-ATOM   8647  HN  ASP E  49     101.610 102.482   1.207  1.00  0.00     0.163 HD
-ATOM   8648  CA  ASP E  49      99.657 101.755   1.698  1.00 21.42     0.186 C 
-ATOM   8649  C   ASP E  49      99.236 103.079   2.325  1.00 21.16     0.241 C 
-ATOM   8650  O   ASP E  49     100.045 103.754   2.980  1.00 20.97    -0.271 OA
-ATOM   8651  CB  ASP E  49     100.203 100.816   2.777  1.00 22.25     0.147 C 
-ATOM   8652  CG  ASP E  49      99.140  99.990   3.498  1.00 24.98     0.175 C 
-ATOM   8653  OD1 ASP E  49      97.925 100.255   3.454  1.00 28.62    -0.648 OA
-ATOM   8654  OD2 ASP E  49      99.462  99.024   4.217  1.00 28.92    -0.648 OA
-ATOM   8655  N   VAL E  50      97.983 103.473   2.105  1.00 20.64    -0.346 N 
-ATOM   8656  HN  VAL E  50      97.325 102.835   1.657  1.00  0.00     0.163 HD
-ATOM   8657  CA  VAL E  50      97.538 104.812   2.498  1.00 20.58     0.180 C 
-ATOM   8658  C   VAL E  50      96.218 104.807   3.306  1.00 19.84     0.241 C 
-ATOM   8659  O   VAL E  50      95.353 103.933   3.111  1.00 19.38    -0.271 OA
-ATOM   8660  CB  VAL E  50      97.367 105.736   1.249  1.00 20.98     0.009 C 
-ATOM   8661  CG1 VAL E  50      96.929 107.103   1.669  1.00 22.71     0.012 C 
-ATOM   8662  CG2 VAL E  50      98.658 105.889   0.472  1.00 22.42     0.012 C 
-ATOM   8663  N   VAL E  51      96.062 105.788   4.200  1.00 18.57    -0.346 N 
-ATOM   8664  HN  VAL E  51      96.856 106.390   4.418  1.00  0.00     0.163 HD
-ATOM   8665  CA  VAL E  51      94.791 106.021   4.871  1.00 17.61     0.180 C 
-ATOM   8666  C   VAL E  51      94.269 107.388   4.462  1.00 17.31     0.241 C 
-ATOM   8667  O   VAL E  51      94.999 108.368   4.563  1.00 16.76    -0.271 OA
-ATOM   8668  CB  VAL E  51      94.910 105.955   6.412  1.00 17.94     0.009 C 
-ATOM   8669  CG1 VAL E  51      93.548 106.262   7.084  1.00 17.41     0.012 C 
-ATOM   8670  CG2 VAL E  51      95.446 104.589   6.857  1.00 17.27     0.012 C 
-ATOM   8671  N   PHE E  52      93.013 107.422   3.998  1.00 16.66    -0.346 N 
-ATOM   8672  HN  PHE E  52      92.479 106.553   3.997  1.00  0.00     0.163 HD
-ATOM   8673  CA  PHE E  52      92.361 108.629   3.493  1.00 15.84     0.180 C 
-ATOM   8674  C   PHE E  52      90.839 108.687   3.844  1.00 16.50     0.241 C 
-ATOM   8675  O   PHE E  52      90.136 107.647   4.000  1.00 15.10    -0.271 OA
-ATOM   8676  CB  PHE E  52      92.619 108.820   1.970  1.00 15.84     0.073 C 
-ATOM   8677  CG  PHE E  52      92.191 107.649   1.113  1.00 16.18    -0.056 A 
-ATOM   8678  CD1 PHE E  52      90.887 107.566   0.619  1.00 19.04     0.007 A 
-ATOM   8679  CD2 PHE E  52      93.065 106.603   0.832  1.00 14.89     0.007 A 
-ATOM   8680  CE1 PHE E  52      90.474 106.465  -0.181  1.00 16.92     0.001 A 
-ATOM   8681  CE2 PHE E  52      92.665 105.501   0.063  1.00 14.76     0.001 A 
-ATOM   8682  CZ  PHE E  52      91.374 105.429  -0.450  1.00 15.46     0.000 A 
-ATOM   8683  N   TRP E  53      90.346 109.908   4.035  1.00 16.52    -0.346 N 
-ATOM   8684  HN  TRP E  53      90.976 110.705   4.127  1.00  0.00     0.163 HD
-ATOM   8685  CA  TRP E  53      88.912 110.102   4.112  1.00 17.22     0.181 C 
-ATOM   8686  C   TRP E  53      88.429 110.366   2.688  1.00 18.03     0.241 C 
-ATOM   8687  O   TRP E  53      88.936 111.268   1.993  1.00 18.24    -0.271 OA
-ATOM   8688  CB  TRP E  53      88.547 111.248   5.031  1.00 16.66     0.075 C 
-ATOM   8689  CG  TRP E  53      89.045 111.116   6.439  1.00 16.69    -0.028 A 
-ATOM   8690  CD1 TRP E  53      89.492 109.983   7.058  1.00 16.77     0.096 A 
-ATOM   8691  CD2 TRP E  53      89.132 112.163   7.409  1.00 16.40    -0.002 A 
-ATOM   8692  CE2 TRP E  53      89.654 111.601   8.589  1.00 16.85     0.042 A 
-ATOM   8693  CE3 TRP E  53      88.827 113.530   7.393  1.00 18.43     0.014 A 
-ATOM   8694  NE1 TRP E  53      89.869 110.274   8.349  1.00 17.29    -0.365 N 
-ATOM   8695  HE1 TRP E  53      90.248 109.605   9.019  1.00  0.00     0.165 HD
-ATOM   8696  CZ2 TRP E  53      89.881 112.344   9.743  1.00 18.90     0.030 A 
-ATOM   8697  CZ3 TRP E  53      89.042 114.287   8.550  1.00 19.54     0.001 A 
-ATOM   8698  CH2 TRP E  53      89.572 113.691   9.710  1.00 19.32     0.002 A 
-ATOM   8699  N   GLN E  54      87.479 109.552   2.236  1.00 18.70    -0.346 N 
-ATOM   8700  HN  GLN E  54      87.091 108.841   2.856  1.00  0.00     0.163 HD
-ATOM   8701  CA  GLN E  54      86.988 109.657   0.886  1.00 19.68     0.177 C 
-ATOM   8702  C   GLN E  54      85.704 110.425   0.958  1.00 19.71     0.241 C 
-ATOM   8703  O   GLN E  54      84.606 109.850   1.077  1.00 19.93    -0.271 OA
-ATOM   8704  CB  GLN E  54      86.798 108.263   0.240  1.00 20.22     0.044 C 
-ATOM   8705  CG  GLN E  54      86.392 108.279  -1.226  1.00 22.97     0.105 C 
-ATOM   8706  CD  GLN E  54      86.472 106.886  -1.854  1.00 27.87     0.215 C 
-ATOM   8707  NE2 GLN E  54      85.330 106.353  -2.278  1.00 29.29    -0.370 N 
-ATOM   8708 1HE2 GLN E  54      84.434 106.834  -2.199  1.00  0.00     0.159 HD
-ATOM   8709 2HE2 GLN E  54      85.383 105.424  -2.697  1.00  0.00     0.159 HD
-ATOM   8710  OE1 GLN E  54      87.559 106.303  -1.950  1.00 29.65    -0.274 OA
-ATOM   8711  N   GLN E  55      85.833 111.742   0.860  1.00 19.67    -0.346 N 
-ATOM   8712  HN  GLN E  55      86.757 112.148   0.714  1.00  0.00     0.163 HD
-ATOM   8713  CA  GLN E  55      84.684 112.604   0.957  1.00 19.99     0.177 C 
-ATOM   8714  C   GLN E  55      83.868 112.487  -0.329  1.00 20.04     0.241 C 
-ATOM   8715  O   GLN E  55      84.315 112.889  -1.398  1.00 19.42    -0.271 OA
-ATOM   8716  CB  GLN E  55      85.118 114.049   1.212  1.00 20.05     0.044 C 
-ATOM   8717  CG  GLN E  55      83.970 115.012   1.251  1.00 22.20     0.105 C 
-ATOM   8718  CD  GLN E  55      84.417 116.471   1.470  1.00 26.41     0.215 C 
-ATOM   8719  NE2 GLN E  55      83.541 117.414   1.176  1.00 26.83    -0.370 N 
-ATOM   8720 1HE2 GLN E  55      83.837 118.379   1.321  1.00  0.00     0.159 HD
-ATOM   8721 2HE2 GLN E  55      82.608 117.205   0.821  1.00  0.00     0.159 HD
-ATOM   8722  OE1 GLN E  55      85.531 116.721   1.894  1.00 28.45    -0.274 OA
-ATOM   8723  N   THR E  56      82.656 111.941  -0.195  1.00 19.91    -0.344 N 
-ATOM   8724  HN  THR E  56      82.329 111.699   0.740  1.00  0.00     0.163 HD
-ATOM   8725  CA  THR E  56      81.786 111.679  -1.328  1.00 19.86     0.205 C 
-ATOM   8726  C   THR E  56      80.450 112.324  -1.148  1.00 19.76     0.243 C 
-ATOM   8727  O   THR E  56      79.819 112.216  -0.107  1.00 19.62    -0.271 OA
-ATOM   8728  CB  THR E  56      81.608 110.175  -1.493  1.00 20.46     0.146 C 
-ATOM   8729  CG2 THR E  56      81.347 109.830  -2.926  1.00 19.88     0.042 C 
-ATOM   8730  OG1 THR E  56      82.866 109.539  -1.224  1.00 22.65    -0.393 OA
-ATOM   8731  HG1 THR E  56      82.755 108.601  -1.327  1.00  0.00     0.210 HD
-ATOM   8732  N   THR E  57      80.003 112.977  -2.203  1.00 19.44    -0.344 N 
-ATOM   8733  HN  THR E  57      80.464 112.844  -3.103  1.00  0.00     0.163 HD
-ATOM   8734  CA  THR E  57      78.886 113.868  -2.115  1.00 19.69     0.205 C 
-ATOM   8735  C   THR E  57      78.037 113.695  -3.355  1.00 18.87     0.243 C 
-ATOM   8736  O   THR E  57      78.584 113.599  -4.456  1.00 18.07    -0.271 OA
-ATOM   8737  CB  THR E  57      79.474 115.289  -1.980  1.00 20.19     0.146 C 
-ATOM   8738  CG2 THR E  57      78.731 116.308  -2.810  1.00 21.49     0.042 C 
-ATOM   8739  OG1 THR E  57      79.352 115.724  -0.618  1.00 22.73    -0.393 OA
-ATOM   8740  HG1 THR E  57      79.714 116.598  -0.535  1.00  0.00     0.210 HD
-ATOM   8741  N   TRP E  58      76.712 113.623  -3.161  1.00 17.61    -0.346 N 
-ATOM   8742  HN  TRP E  58      76.356 113.610  -2.205  1.00  0.00     0.163 HD
-ATOM   8743  CA  TRP E  58      75.760 113.562  -4.264  1.00 17.64     0.181 C 
-ATOM   8744  C   TRP E  58      74.364 113.908  -3.791  1.00 17.62     0.241 C 
-ATOM   8745  O   TRP E  58      74.090 113.984  -2.607  1.00 17.75    -0.271 OA
-ATOM   8746  CB  TRP E  58      75.769 112.191  -4.962  1.00 16.80     0.075 C 
-ATOM   8747  CG  TRP E  58      75.192 111.077  -4.126  1.00 16.65    -0.028 A 
-ATOM   8748  CD1 TRP E  58      73.923 110.604  -4.157  1.00 16.81     0.096 A 
-ATOM   8749  CD2 TRP E  58      75.862 110.337  -3.108  1.00 15.41    -0.002 A 
-ATOM   8750  CE2 TRP E  58      74.938 109.408  -2.581  1.00 14.47     0.042 A 
-ATOM   8751  CE3 TRP E  58      77.168 110.339  -2.606  1.00 14.42     0.014 A 
-ATOM   8752  NE1 TRP E  58      73.753 109.594  -3.237  1.00 15.92    -0.365 N 
-ATOM   8753  HE1 TRP E  58      72.891 109.074  -3.073  1.00  0.00     0.165 HD
-ATOM   8754  CZ2 TRP E  58      75.260 108.530  -1.571  1.00 14.32     0.030 A 
-ATOM   8755  CZ3 TRP E  58      77.496 109.458  -1.606  1.00 14.51     0.001 A 
-ATOM   8756  CH2 TRP E  58      76.538 108.568  -1.081  1.00 15.56     0.002 A 
-ATOM   8757  N   SER E  59      73.464 114.060  -4.735  1.00 18.04    -0.344 N 
-ATOM   8758  HN  SER E  59      73.736 113.956  -5.713  1.00  0.00     0.163 HD
-ATOM   8759  CA  SER E  59      72.099 114.371  -4.405  1.00 19.34     0.200 C 
-ATOM   8760  C   SER E  59      71.169 113.201  -4.754  1.00 18.96     0.243 C 
-ATOM   8761  O   SER E  59      71.313 112.583  -5.794  1.00 18.75    -0.271 OA
-ATOM   8762  CB  SER E  59      71.706 115.639  -5.145  1.00 19.11     0.199 C 
-ATOM   8763  OG  SER E  59      70.366 115.535  -5.566  1.00 22.87    -0.398 OA
-ATOM   8764  HG  SER E  59      70.120 116.328  -6.029  1.00  0.00     0.209 HD
-ATOM   8765  N   ASP E  60      70.232 112.911  -3.862  1.00 19.56    -0.345 N 
-ATOM   8766  HN  ASP E  60      70.251 113.394  -2.964  1.00  0.00     0.163 HD
-ATOM   8767  CA  ASP E  60      69.175 111.934  -4.103  1.00 19.80     0.186 C 
-ATOM   8768  C   ASP E  60      67.850 112.494  -3.621  1.00 19.53     0.241 C 
-ATOM   8769  O   ASP E  60      67.527 112.370  -2.452  1.00 19.11    -0.271 OA
-ATOM   8770  CB  ASP E  60      69.490 110.628  -3.373  1.00 19.98     0.147 C 
-ATOM   8771  CG  ASP E  60      68.515 109.498  -3.723  1.00 22.35     0.175 C 
-ATOM   8772  OD1 ASP E  60      67.402 109.780  -4.243  1.00 22.08    -0.648 OA
-ATOM   8773  OD2 ASP E  60      68.788 108.270  -3.525  1.00 24.72    -0.648 OA
-ATOM   8774  N   ARG E  61      67.096 113.094  -4.533  1.00 19.48    -0.346 N 
-ATOM   8775  HN  ARG E  61      67.412 113.095  -5.503  1.00  0.00     0.163 HD
-ATOM   8776  CA  ARG E  61      65.842 113.749  -4.212  1.00 20.50     0.176 C 
-ATOM   8777  C   ARG E  61      64.774 112.815  -3.606  1.00 21.00     0.241 C 
-ATOM   8778  O   ARG E  61      63.924 113.300  -2.843  1.00 20.71    -0.271 OA
-ATOM   8779  CB  ARG E  61      65.271 114.511  -5.420  1.00 21.38     0.036 C 
-ATOM   8780  CG  ARG E  61      66.083 115.735  -5.931  1.00 23.13     0.023 C 
-ATOM   8781  CD  ARG E  61      66.829 116.524  -4.854  1.00 28.56     0.138 C 
-ATOM   8782  NE  ARG E  61      68.058 117.138  -5.363  1.00 31.85    -0.227 N 
-ATOM   8783  HE  ARG E  61      68.706 116.541  -5.878  1.00  0.00     0.177 HD
-ATOM   8784  CZ  ARG E  61      68.393 118.420  -5.203  1.00 33.19     0.665 C 
-ATOM   8785  NH1 ARG E  61      67.591 119.249  -4.529  1.00 33.92    -0.235 N 
-ATOM   8786 1HH1 ARG E  61      67.847 120.229  -4.407  1.00  0.00     0.174 HD
-ATOM   8787 2HH1 ARG E  61      66.724 118.898  -4.123  1.00  0.00     0.174 HD
-ATOM   8788  NH2 ARG E  61      69.526 118.878  -5.734  1.00 32.50    -0.235 N 
-ATOM   8789 1HH2 ARG E  61      69.782 119.858  -5.612  1.00  0.00     0.174 HD
-ATOM   8790 2HH2 ARG E  61      70.138 118.245  -6.249  1.00  0.00     0.174 HD
-ATOM   8791  N   THR E  62      64.836 111.500  -3.883  1.00 20.75    -0.344 N 
-ATOM   8792  HN  THR E  62      65.560 111.154  -4.512  1.00  0.00     0.163 HD
-ATOM   8793  CA  THR E  62      63.870 110.546  -3.290  1.00 21.19     0.205 C 
-ATOM   8794  C   THR E  62      64.033 110.456  -1.749  1.00 20.79     0.243 C 
-ATOM   8795  O   THR E  62      63.201 109.860  -1.043  1.00 20.79    -0.271 OA
-ATOM   8796  CB  THR E  62      63.968 109.093  -3.919  1.00 21.43     0.146 C 
-ATOM   8797  CG2 THR E  62      63.992 109.092  -5.488  1.00 22.13     0.042 C 
-ATOM   8798  OG1 THR E  62      65.215 108.490  -3.546  1.00 22.59    -0.393 OA
-ATOM   8799  HG1 THR E  62      65.200 108.491  -2.596  1.00  0.00     0.210 HD
-ATOM   8800  N   LEU E  63      65.115 111.016  -1.224  1.00 20.00    -0.346 N 
-ATOM   8801  HN  LEU E  63      65.798 111.471  -1.830  1.00  0.00     0.163 HD
-ATOM   8802  CA  LEU E  63      65.329 110.983   0.213  1.00 19.77     0.177 C 
-ATOM   8803  C   LEU E  63      64.761 112.215   0.905  1.00 19.83     0.241 C 
-ATOM   8804  O   LEU E  63      64.626 112.228   2.145  1.00 19.96    -0.271 OA
-ATOM   8805  CB  LEU E  63      66.802 110.860   0.541  1.00 19.42     0.038 C 
-ATOM   8806  CG  LEU E  63      67.610 109.707  -0.056  1.00 20.56    -0.020 C 
-ATOM   8807  CD1 LEU E  63      69.075 109.897   0.298  1.00 18.86     0.009 C 
-ATOM   8808  CD2 LEU E  63      67.089 108.390   0.448  1.00 19.57     0.009 C 
-ATOM   8809  N   ALA E  64      64.442 113.237   0.113  1.00 19.12    -0.346 N 
-ATOM   8810  HN  ALA E  64      64.496 113.110  -0.898  1.00  0.00     0.163 HD
-ATOM   8811  CA  ALA E  64      64.018 114.531   0.637  1.00 18.98     0.172 C 
-ATOM   8812  C   ALA E  64      62.775 114.471   1.503  1.00 19.10     0.240 C 
-ATOM   8813  O   ALA E  64      61.881 113.631   1.299  1.00 19.16    -0.271 OA
-ATOM   8814  CB  ALA E  64      63.799 115.559  -0.516  1.00 18.99     0.042 C 
-ATOM   8815  N   TRP E  65      62.722 115.374   2.473  1.00 18.71    -0.346 N 
-ATOM   8816  HN  TRP E  65      63.527 115.980   2.634  1.00  0.00     0.163 HD
-ATOM   8817  CA  TRP E  65      61.544 115.521   3.312  1.00 18.79     0.181 C 
-ATOM   8818  C   TRP E  65      61.397 116.978   3.700  1.00 19.21     0.241 C 
-ATOM   8819  O   TRP E  65      62.383 117.718   3.703  1.00 18.96    -0.271 OA
-ATOM   8820  CB  TRP E  65      61.639 114.641   4.567  1.00 18.00     0.075 C 
-ATOM   8821  CG  TRP E  65      62.671 115.077   5.556  1.00 16.51    -0.028 A 
-ATOM   8822  CD1 TRP E  65      62.491 115.952   6.609  1.00 15.26     0.096 A 
-ATOM   8823  CD2 TRP E  65      64.040 114.669   5.610  1.00 14.26    -0.002 A 
-ATOM   8824  CE2 TRP E  65      64.629 115.314   6.718  1.00 13.09     0.042 A 
-ATOM   8825  CE3 TRP E  65      64.835 113.793   4.846  1.00 13.16     0.014 A 
-ATOM   8826  NE1 TRP E  65      63.661 116.086   7.312  1.00 13.68    -0.365 N 
-ATOM   8827  HE1 TRP E  65      63.791 116.665   8.142  1.00  0.00     0.165 HD
-ATOM   8828  CZ2 TRP E  65      65.972 115.133   7.062  1.00 12.01     0.030 A 
-ATOM   8829  CZ3 TRP E  65      66.166 113.616   5.185  1.00 12.45     0.001 A 
-ATOM   8830  CH2 TRP E  65      66.718 114.271   6.296  1.00 12.42     0.002 A 
-ATOM   8831  N   ASN E  66      60.167 117.364   4.028  1.00 19.87    -0.346 N 
-ATOM   8832  HN  ASN E  66      59.414 116.678   3.974  1.00  0.00     0.163 HD
-ATOM   8833  CA  ASN E  66      59.839 118.720   4.461  1.00 20.79     0.185 C 
-ATOM   8834  C   ASN E  66      60.323 118.956   5.895  1.00 20.81     0.241 C 
-ATOM   8835  O   ASN E  66      59.786 118.384   6.844  1.00 21.00    -0.271 OA
-ATOM   8836  CB  ASN E  66      58.320 118.945   4.347  1.00 21.28     0.137 C 
-ATOM   8837  CG  ASN E  66      57.916 120.385   4.573  1.00 22.76     0.217 C 
-ATOM   8838  ND2 ASN E  66      56.786 120.792   3.978  1.00 25.33    -0.370 N 
-ATOM   8839 1HD2 ASN E  66      56.514 121.763   4.130  1.00  0.00     0.159 HD
-ATOM   8840 2HD2 ASN E  66      56.223 120.179   3.389  1.00  0.00     0.159 HD
-ATOM   8841  OD1 ASN E  66      58.591 121.120   5.279  1.00 23.18    -0.274 OA
-ATOM   8842  N   SER E  67      61.332 119.805   6.047  1.00 20.61    -0.344 N 
-ATOM   8843  HN  SER E  67      61.705 120.287   5.229  1.00  0.00     0.163 HD
-ATOM   8844  CA  SER E  67      61.916 120.064   7.344  1.00 20.72     0.200 C 
-ATOM   8845  C   SER E  67      61.657 121.496   7.793  1.00 21.38     0.243 C 
-ATOM   8846  O   SER E  67      62.512 122.129   8.431  1.00 20.85    -0.271 OA
-ATOM   8847  CB  SER E  67      63.415 119.789   7.324  1.00 21.19     0.199 C 
-ATOM   8848  OG  SER E  67      64.096 120.771   6.565  1.00 21.45    -0.398 OA
-ATOM   8849  HG  SER E  67      65.030 120.600   6.553  1.00  0.00     0.209 HD
-ATOM   8850  N   SER E  68      60.477 122.011   7.460  1.00 21.21    -0.344 N 
-ATOM   8851  HN  SER E  68      59.859 121.505   6.825  1.00  0.00     0.163 HD
-ATOM   8852  CA  SER E  68      60.070 123.294   8.001  1.00 21.92     0.200 C 
-ATOM   8853  C   SER E  68      59.991 123.241   9.546  1.00 21.97     0.243 C 
-ATOM   8854  O   SER E  68      60.429 124.189  10.216  1.00 21.64    -0.271 OA
-ATOM   8855  CB  SER E  68      58.766 123.794   7.351  1.00 21.70     0.199 C 
-ATOM   8856  OG  SER E  68      57.690 122.898   7.578  1.00 22.10    -0.398 OA
-ATOM   8857  HG  SER E  68      56.886 123.206   7.177  1.00  0.00     0.209 HD
-ATOM   8858  N   HIS E  69      59.482 122.121  10.085  1.00 21.92    -0.346 N 
-ATOM   8859  HN  HIS E  69      59.195 121.371   9.456  1.00  0.00     0.163 HD
-ATOM   8860  CA  HIS E  69      59.315 121.916  11.532  1.00 22.29     0.182 C 
-ATOM   8861  C   HIS E  69      59.914 120.598  12.030  1.00 22.43     0.241 C 
-ATOM   8862  O   HIS E  69      59.393 119.992  12.972  1.00 22.68    -0.271 OA
-ATOM   8863  CB  HIS E  69      57.837 121.975  11.913  1.00 22.15     0.093 C 
-ATOM   8864  CG  HIS E  69      57.178 123.262  11.533  1.00 23.53     0.028 A 
-ATOM   8865  CD2 HIS E  69      56.146 123.519  10.696  1.00 24.58     0.114 A 
-ATOM   8866  ND1 HIS E  69      57.603 124.485  12.008  1.00 23.05    -0.354 N 
-ATOM   8867  HD1 HIS E  69      58.371 124.630  12.663  1.00  0.00     0.166 HD
-ATOM   8868  CE1 HIS E  69      56.859 125.438  11.481  1.00 24.71     0.180 A 
-ATOM   8869  NE2 HIS E  69      55.963 124.879  10.687  1.00 25.10    -0.360 N 
-ATOM   8870  HE2 HIS E  69      55.251 125.378  10.154  1.00  0.00     0.166 HD
-ATOM   8871  N   SER E  70      61.005 120.172  11.392  1.00 22.42    -0.344 N 
-ATOM   8872  HN  SER E  70      61.418 120.782  10.687  1.00  0.00     0.163 HD
-ATOM   8873  CA  SER E  70      61.642 118.881  11.646  1.00 21.98     0.200 C 
-ATOM   8874  C   SER E  70      63.161 119.044  11.592  1.00 21.71     0.245 C 
-ATOM   8875  O   SER E  70      63.654 120.036  11.039  1.00 21.47    -0.271 OA
-ATOM   8876  CB  SER E  70      61.209 117.864  10.589  1.00 21.83     0.199 C 
-ATOM   8877  OG  SER E  70      59.827 117.655  10.619  1.00 22.17    -0.398 OA
-ATOM   8878  HG  SER E  70      59.558 117.023   9.962  1.00  0.00     0.209 HD
-ATOM   8879  N   PRO E  71      63.905 118.098  12.173  1.00 21.49    -0.337 N 
-ATOM   8880  CA  PRO E  71      65.360 118.033  11.966  1.00 21.24     0.179 C 
-ATOM   8881  C   PRO E  71      65.669 118.029  10.482  1.00 20.90     0.241 C 
-ATOM   8882  O   PRO E  71      64.965 117.360   9.699  1.00 20.64    -0.271 OA
-ATOM   8883  CB  PRO E  71      65.744 116.689  12.581  1.00 20.97     0.037 C 
-ATOM   8884  CG  PRO E  71      64.735 116.464  13.639  1.00 21.53     0.022 C 
-ATOM   8885  CD  PRO E  71      63.437 117.051  13.107  1.00 21.74     0.127 C 
-ATOM   8886  N   ASP E  72      66.693 118.760  10.078  1.00 20.58    -0.346 N 
-ATOM   8887  HN  ASP E  72      67.270 119.256  10.757  1.00  0.00     0.163 HD
-ATOM   8888  CA  ASP E  72      66.989 118.852   8.664  1.00 21.28     0.186 C 
-ATOM   8889  C   ASP E  72      68.141 117.944   8.181  1.00 20.15     0.241 C 
-ATOM   8890  O   ASP E  72      68.489 117.968   7.014  1.00 19.83    -0.271 OA
-ATOM   8891  CB  ASP E  72      67.168 120.309   8.255  1.00 22.73     0.147 C 
-ATOM   8892  CG  ASP E  72      68.532 120.817   8.548  1.00 26.45     0.175 C 
-ATOM   8893  OD1 ASP E  72      69.012 120.600   9.691  1.00 30.17    -0.648 OA
-ATOM   8894  OD2 ASP E  72      69.205 121.429   7.681  1.00 31.79    -0.648 OA
-ATOM   8895  N   GLN E  73      68.698 117.141   9.090  1.00 18.63    -0.346 N 
-ATOM   8896  HN  GLN E  73      68.363 117.186  10.053  1.00  0.00     0.163 HD
-ATOM   8897  CA  GLN E  73      69.768 116.200   8.763  1.00 17.81     0.177 C 
-ATOM   8898  C   GLN E  73      69.664 114.960   9.624  1.00 16.49     0.241 C 
-ATOM   8899  O   GLN E  73      69.311 115.057  10.797  1.00 15.94    -0.271 OA
-ATOM   8900  CB  GLN E  73      71.135 116.817   9.008  1.00 17.70     0.044 C 
-ATOM   8901  CG  GLN E  73      71.603 117.746   7.939  1.00 20.53     0.105 C 
-ATOM   8902  CD  GLN E  73      73.083 118.103   8.070  1.00 22.58     0.215 C 
-ATOM   8903  NE2 GLN E  73      73.385 119.397   7.951  1.00 20.38    -0.370 N 
-ATOM   8904 1HE2 GLN E  73      74.373 119.635   8.038  1.00  0.00     0.159 HD
-ATOM   8905 2HE2 GLN E  73      72.681 120.118   7.793  1.00  0.00     0.159 HD
-ATOM   8906  OE1 GLN E  73      73.941 117.225   8.263  1.00 24.17    -0.274 OA
-ATOM   8907  N   VAL E  74      69.970 113.802   9.048  1.00 15.20    -0.346 N 
-ATOM   8908  HN  VAL E  74      70.125 113.778   8.040  1.00  0.00     0.163 HD
-ATOM   8909  CA  VAL E  74      70.093 112.548   9.819  1.00 14.48     0.180 C 
-ATOM   8910  C   VAL E  74      71.287 111.693   9.362  1.00 14.78     0.241 C 
-ATOM   8911  O   VAL E  74      71.759 111.822   8.222  1.00 14.01    -0.271 OA
-ATOM   8912  CB  VAL E  74      68.815 111.685   9.740  1.00 14.58     0.009 C 
-ATOM   8913  CG1 VAL E  74      67.646 112.347  10.493  1.00 13.83     0.012 C 
-ATOM   8914  CG2 VAL E  74      68.466 111.392   8.296  1.00 12.54     0.012 C 
-ATOM   8915  N   SER E  75      71.775 110.836  10.258  1.00 14.58    -0.344 N 
-ATOM   8916  HN  SER E  75      71.455 110.892  11.225  1.00  0.00     0.163 HD
-ATOM   8917  CA  SER E  75      72.758 109.817   9.889  1.00 15.29     0.200 C 
-ATOM   8918  C   SER E  75      72.064 108.523   9.466  1.00 15.56     0.243 C 
-ATOM   8919  O   SER E  75      71.232 108.014  10.184  1.00 16.14    -0.271 OA
-ATOM   8920  CB  SER E  75      73.718 109.513  11.046  1.00 15.05     0.199 C 
-ATOM   8921  OG  SER E  75      74.429 110.653  11.449  1.00 14.68    -0.398 OA
-ATOM   8922  HG  SER E  75      75.024 110.465  12.166  1.00  0.00     0.209 HD
-ATOM   8923  N   VAL E  76      72.430 107.988   8.308  1.00 15.78    -0.346 N 
-ATOM   8924  HN  VAL E  76      73.209 108.400   7.794  1.00  0.00     0.163 HD
-ATOM   8925  CA  VAL E  76      71.747 106.828   7.753  1.00 15.87     0.180 C 
-ATOM   8926  C   VAL E  76      72.735 105.724   7.402  1.00 16.37     0.243 C 
-ATOM   8927  O   VAL E  76      73.726 105.979   6.724  1.00 16.03    -0.271 OA
-ATOM   8928  CB  VAL E  76      70.945 107.212   6.457  1.00 16.27     0.009 C 
-ATOM   8929  CG1 VAL E  76      70.069 106.019   5.994  1.00 14.75     0.012 C 
-ATOM   8930  CG2 VAL E  76      70.081 108.443   6.688  1.00 14.84     0.012 C 
-ATOM   8931  N   PRO E  77      72.485 104.485   7.829  1.00 17.32    -0.337 N 
-ATOM   8932  CA  PRO E  77      73.336 103.362   7.394  1.00 16.99     0.179 C 
-ATOM   8933  C   PRO E  77      73.363 103.310   5.875  1.00 17.44     0.241 C 
-ATOM   8934  O   PRO E  77      72.283 103.400   5.287  1.00 17.23    -0.271 OA
-ATOM   8935  CB  PRO E  77      72.624 102.112   7.938  1.00 17.33     0.037 C 
-ATOM   8936  CG  PRO E  77      71.592 102.584   8.945  1.00 17.64     0.022 C 
-ATOM   8937  CD  PRO E  77      71.375 104.060   8.720  1.00 17.21     0.127 C 
-ATOM   8938  N   ILE E  78      74.545 103.197   5.247  1.00 17.85    -0.346 N 
-ATOM   8939  HN  ILE E  78      75.402 103.105   5.792  1.00  0.00     0.163 HD
-ATOM   8940  CA  ILE E  78      74.611 103.205   3.785  1.00 19.25     0.180 C 
-ATOM   8941  C   ILE E  78      73.868 102.044   3.122  1.00 19.83     0.241 C 
-ATOM   8942  O   ILE E  78      73.574 102.134   1.939  1.00 20.17    -0.271 OA
-ATOM   8943  CB  ILE E  78      76.069 103.282   3.254  1.00 19.87     0.013 C 
-ATOM   8944  CG1 ILE E  78      76.873 102.036   3.640  1.00 20.13     0.002 C 
-ATOM   8945  CG2 ILE E  78      76.725 104.600   3.705  1.00 18.63     0.012 C 
-ATOM   8946  CD1 ILE E  78      78.108 101.853   2.757  1.00 23.52     0.005 C 
-ATOM   8947  N   SER E  79      73.560 100.991   3.890  1.00 19.84    -0.344 N 
-ATOM   8948  HN  SER E  79      73.911 100.967   4.847  1.00  0.00     0.163 HD
-ATOM   8949  CA  SER E  79      72.744  99.875   3.419  1.00 21.39     0.200 C 
-ATOM   8950  C   SER E  79      71.327 100.301   3.118  1.00 20.88     0.243 C 
-ATOM   8951  O   SER E  79      70.623  99.634   2.383  1.00 20.97    -0.271 OA
-ATOM   8952  CB  SER E  79      72.767  98.699   4.415  1.00 21.96     0.199 C 
-ATOM   8953  OG  SER E  79      71.965  98.976   5.568  1.00 24.51    -0.398 OA
-ATOM   8954  HG  SER E  79      71.979  98.251   6.182  1.00  0.00     0.209 HD
-ATOM   8955  N   SER E  80      70.916 101.431   3.666  1.00 20.51    -0.344 N 
-ATOM   8956  HN  SER E  80      71.524 101.932   4.314  1.00  0.00     0.163 HD
-ATOM   8957  CA  SER E  80      69.605 101.961   3.350  1.00 20.90     0.200 C 
-ATOM   8958  C   SER E  80      69.635 102.986   2.216  1.00 20.41     0.243 C 
-ATOM   8959  O   SER E  80      68.600 103.530   1.860  1.00 20.94    -0.271 OA
-ATOM   8960  CB  SER E  80      68.982 102.561   4.609  1.00 20.80     0.199 C 
-ATOM   8961  OG  SER E  80      68.634 101.505   5.495  1.00 24.00    -0.398 OA
-ATOM   8962  HG  SER E  80      68.247 101.878   6.278  1.00  0.00     0.209 HD
-ATOM   8963  N   LEU E  81      70.811 103.244   1.653  1.00 19.31    -0.346 N 
-ATOM   8964  HN  LEU E  81      71.636 102.707   1.919  1.00  0.00     0.163 HD
-ATOM   8965  CA  LEU E  81      70.914 104.308   0.646  1.00 19.81     0.177 C 
-ATOM   8966  C   LEU E  81      71.515 103.789  -0.643  1.00 18.66     0.241 C 
-ATOM   8967  O   LEU E  81      72.345 102.879  -0.589  1.00 18.09    -0.271 OA
-ATOM   8968  CB  LEU E  81      71.856 105.427   1.144  1.00 20.16     0.038 C 
-ATOM   8969  CG  LEU E  81      71.496 106.259   2.355  1.00 21.63    -0.020 C 
-ATOM   8970  CD1 LEU E  81      72.472 107.374   2.559  1.00 22.48     0.009 C 
-ATOM   8971  CD2 LEU E  81      70.140 106.841   2.115  1.00 24.51     0.009 C 
-ATOM   8972  N   TRP E  82      71.170 104.387  -1.783  1.00 17.64    -0.346 N 
-ATOM   8973  HN  TRP E  82      70.340 104.978  -1.828  1.00  0.00     0.163 HD
-ATOM   8974  CA  TRP E  82      72.005 104.181  -2.973  1.00 17.44     0.181 C 
-ATOM   8975  C   TRP E  82      73.292 104.929  -2.745  1.00 17.72     0.241 C 
-ATOM   8976  O   TRP E  82      73.289 106.063  -2.268  1.00 17.52    -0.271 OA
-ATOM   8977  CB  TRP E  82      71.344 104.652  -4.277  1.00 16.75     0.075 C 
-ATOM   8978  CG  TRP E  82      72.270 104.545  -5.480  1.00 17.12    -0.028 A 
-ATOM   8979  CD1 TRP E  82      72.450 103.451  -6.283  1.00 16.08     0.096 A 
-ATOM   8980  CD2 TRP E  82      73.171 105.558  -5.989  1.00 15.79    -0.002 A 
-ATOM   8981  CE2 TRP E  82      73.835 105.013  -7.098  1.00 16.97     0.042 A 
-ATOM   8982  CE3 TRP E  82      73.504 106.854  -5.588  1.00 15.67     0.014 A 
-ATOM   8983  NE1 TRP E  82      73.378 103.728  -7.255  1.00 16.55    -0.365 N 
-ATOM   8984  HE1 TRP E  82      73.681 103.080  -7.982  1.00  0.00     0.165 HD
-ATOM   8985  CZ2 TRP E  82      74.786 105.734  -7.845  1.00 15.24     0.030 A 
-ATOM   8986  CZ3 TRP E  82      74.449 107.595  -6.361  1.00 15.62     0.001 A 
-ATOM   8987  CH2 TRP E  82      75.061 107.020  -7.471  1.00 15.75     0.002 A 
-ATOM   8988  N   VAL E  83      74.396 104.273  -3.070  1.00 18.04    -0.346 N 
-ATOM   8989  HN  VAL E  83      74.315 103.323  -3.433  1.00  0.00     0.163 HD
-ATOM   8990  CA  VAL E  83      75.727 104.863  -2.927  1.00 18.56     0.180 C 
-ATOM   8991  C   VAL E  83      76.440 104.647  -4.260  1.00 18.36     0.243 C 
-ATOM   8992  O   VAL E  83      76.268 103.583  -4.871  1.00 18.58    -0.271 OA
-ATOM   8993  CB  VAL E  83      76.461 104.177  -1.736  1.00 19.10     0.009 C 
-ATOM   8994  CG1 VAL E  83      77.949 104.417  -1.767  1.00 20.94     0.012 C 
-ATOM   8995  CG2 VAL E  83      75.889 104.650  -0.419  1.00 19.09     0.012 C 
-ATOM   8996  N   PRO E  84      77.196 105.625  -4.746  1.00 18.75    -0.337 N 
-ATOM   8997  CA  PRO E  84      77.903 105.469  -6.025  1.00 18.67     0.179 A 
-ATOM   8998  C   PRO E  84      78.908 104.315  -5.972  1.00 18.09     0.241 C 
-ATOM   8999  O   PRO E  84      79.609 104.166  -4.973  1.00 17.47    -0.271 OA
-ATOM   9000  CB  PRO E  84      78.680 106.785  -6.183  1.00 18.39     0.037 A 
-ATOM   9001  CG  PRO E  84      78.329 107.626  -5.085  1.00 19.13     0.022 A 
-ATOM   9002  CD  PRO E  84      77.419 106.955  -4.147  1.00 18.69     0.127 A 
-ATOM   9003  N   ASP E  85      78.991 103.555  -7.062  1.00 17.65    -0.346 N 
-ATOM   9004  HN  ASP E  85      78.439 103.813  -7.880  1.00  0.00     0.163 HD
-ATOM   9005  CA  ASP E  85      79.839 102.367  -7.138  1.00 17.59     0.186 C 
-ATOM   9006  C   ASP E  85      81.269 102.747  -7.531  1.00 17.51     0.241 C 
-ATOM   9007  O   ASP E  85      81.793 102.232  -8.520  1.00 17.14    -0.271 OA
-ATOM   9008  CB  ASP E  85      79.272 101.348  -8.142  1.00 16.97     0.147 C 
-ATOM   9009  CG  ASP E  85      79.202 101.885  -9.555  1.00 19.08     0.175 C 
-ATOM   9010  OD1 ASP E  85      79.031 103.126  -9.731  1.00 18.61    -0.648 OA
-ATOM   9011  OD2 ASP E  85      79.297 101.154 -10.578  1.00 19.95    -0.648 OA
-ATOM   9012  N   LEU E  86      81.889 103.638  -6.750  1.00 17.12    -0.346 N 
-ATOM   9013  HN  LEU E  86      81.388 104.016  -5.946  1.00  0.00     0.163 HD
-ATOM   9014  CA  LEU E  86      83.251 104.091  -7.002  1.00 16.93     0.177 C 
-ATOM   9015  C   LEU E  86      84.290 103.027  -6.697  1.00 17.32     0.241 C 
-ATOM   9016  O   LEU E  86      84.168 102.280  -5.720  1.00 17.65    -0.271 OA
-ATOM   9017  CB  LEU E  86      83.558 105.357  -6.189  1.00 16.89     0.038 C 
-ATOM   9018  CG  LEU E  86      82.594 106.521  -6.431  1.00 16.92    -0.020 C 
-ATOM   9019  CD1 LEU E  86      82.969 107.696  -5.517  1.00 17.78     0.009 C 
-ATOM   9020  CD2 LEU E  86      82.617 106.912  -7.881  1.00 15.23     0.009 C 
-ATOM   9021  N   ALA E  87      85.329 102.999  -7.521  1.00 17.08    -0.346 N 
-ATOM   9022  HN  ALA E  87      85.333 103.621  -8.329  1.00  0.00     0.163 HD
-ATOM   9023  CA  ALA E  87      86.467 102.109  -7.312  1.00 17.34     0.172 C 
-ATOM   9024  C   ALA E  87      87.751 102.815  -7.686  1.00 17.26     0.240 C 
-ATOM   9025  O   ALA E  87      87.761 103.641  -8.600  1.00 16.98    -0.271 OA
-ATOM   9026  CB  ALA E  87      86.296 100.792  -8.169  1.00 16.86     0.042 C 
-ATOM   9027  N   ALA E  88      88.828 102.512  -6.962  1.00 17.14    -0.346 N 
-ATOM   9028  HN  ALA E  88      88.726 101.940  -6.124  1.00  0.00     0.163 HD
-ATOM   9029  CA  ALA E  88      90.138 102.984  -7.349  1.00 17.44     0.172 C 
-ATOM   9030  C   ALA E  88      90.707 101.983  -8.333  1.00 17.34     0.240 C 
-ATOM   9031  O   ALA E  88      90.843 100.816  -7.986  1.00 17.48    -0.271 OA
-ATOM   9032  CB  ALA E  88      91.051 103.154  -6.143  1.00 17.49     0.042 C 
-ATOM   9033  N   TYR E  89      90.990 102.434  -9.556  1.00 16.81    -0.346 N 
-ATOM   9034  HN  TYR E  89      90.888 103.433  -9.737  1.00  0.00     0.163 HD
-ATOM   9035  CA  TYR E  89      91.440 101.572 -10.656  1.00 17.12     0.180 C 
-ATOM   9036  C   TYR E  89      92.824 100.977 -10.425  1.00 17.07     0.241 C 
-ATOM   9037  O   TYR E  89      93.109  99.891 -10.942  1.00 17.32    -0.271 OA
-ATOM   9038  CB  TYR E  89      91.483 102.354 -11.979  1.00 17.41     0.073 C 
-ATOM   9039  CG  TYR E  89      90.144 102.504 -12.683  1.00 18.27    -0.056 A 
-ATOM   9040  CD1 TYR E  89      89.101 103.225 -12.097  1.00 18.96     0.010 A 
-ATOM   9041  CD2 TYR E  89      89.929 101.930 -13.948  1.00 18.79     0.010 A 
-ATOM   9042  CE1 TYR E  89      87.888 103.373 -12.735  1.00 21.53     0.037 A 
-ATOM   9043  CE2 TYR E  89      88.720 102.070 -14.591  1.00 19.56     0.037 A 
-ATOM   9044  CZ  TYR E  89      87.701 102.792 -13.987  1.00 22.37     0.065 A 
-ATOM   9045  OH  TYR E  89      86.492 102.935 -14.627  1.00 24.32    -0.361 OA
-ATOM   9046  HH  TYR E  89      85.794 103.429 -14.213  1.00  0.00     0.217 HD
-ATOM   9047  N   ASN E  90      93.679 101.678  -9.665  1.00 15.95    -0.346 N 
-ATOM   9048  HN  ASN E  90      93.388 102.576  -9.279  1.00  0.00     0.163 HD
-ATOM   9049  CA  ASN E  90      95.029 101.171  -9.381  1.00 15.75     0.185 C 
-ATOM   9050  C   ASN E  90      95.202 100.630  -7.945  1.00 15.56     0.241 C 
-ATOM   9051  O   ASN E  90      96.318 100.407  -7.467  1.00 14.89    -0.271 OA
-ATOM   9052  CB  ASN E  90      96.106 102.173  -9.761  1.00 15.26     0.137 C 
-ATOM   9053  CG  ASN E  90      95.952 103.510  -9.036  1.00 16.37     0.217 C 
-ATOM   9054  ND2 ASN E  90      97.064 104.077  -8.646  1.00 14.70    -0.370 N 
-ATOM   9055 1HD2 ASN E  90      97.980 103.665  -8.823  1.00  0.00     0.159 HD
-ATOM   9056 2HD2 ASN E  90      96.961 104.969  -8.162  1.00  0.00     0.159 HD
-ATOM   9057  OD1 ASN E  90      94.841 104.010  -8.821  1.00 16.79    -0.274 OA
-ATOM   9058  N   ALA E  91      94.078 100.367  -7.287  1.00 15.08    -0.346 N 
-ATOM   9059  HN  ALA E  91      93.182 100.632  -7.696  1.00  0.00     0.163 HD
-ATOM   9060  CA  ALA E  91      94.108  99.703  -5.985  1.00 15.54     0.172 C 
-ATOM   9061  C   ALA E  91      94.484  98.236  -6.174  1.00 15.35     0.240 C 
-ATOM   9062  O   ALA E  91      94.050  97.601  -7.134  1.00 14.58    -0.271 OA
-ATOM   9063  CB  ALA E  91      92.748  99.820  -5.292  1.00 15.25     0.042 C 
-ATOM   9064  N   ILE E  92      95.303  97.729  -5.264  1.00 15.60    -0.346 N 
-ATOM   9065  HN  ILE E  92      95.630  98.328  -4.506  1.00  0.00     0.163 HD
-ATOM   9066  CA  ILE E  92      95.753  96.335  -5.313  1.00 16.24     0.180 C 
-ATOM   9067  C   ILE E  92      95.288  95.605  -4.049  1.00 17.14     0.241 C 
-ATOM   9068  O   ILE E  92      95.665  94.463  -3.815  1.00 17.31    -0.271 OA
-ATOM   9069  CB  ILE E  92      97.307  96.240  -5.521  1.00 16.64     0.013 C 
-ATOM   9070  CG1 ILE E  92      98.060  96.964  -4.390  1.00 16.27     0.002 C 
-ATOM   9071  CG2 ILE E  92      97.692  96.748  -6.915  1.00 15.39     0.012 C 
-ATOM   9072  CD1 ILE E  92      99.562  96.764  -4.387  1.00 16.18     0.005 C 
-ATOM   9073  N   SER E  93      94.497  96.285  -3.210  1.00 17.58    -0.344 N 
-ATOM   9074  HN  SER E  93      94.387  97.290  -3.348  1.00  0.00     0.163 HD
-ATOM   9075  CA  SER E  93      93.783  95.645  -2.101  1.00 18.77     0.200 C 
-ATOM   9076  C   SER E  93      92.322  96.163  -2.091  1.00 19.54     0.243 C 
-ATOM   9077  O   SER E  93      92.049  97.270  -2.616  1.00 18.95    -0.271 OA
-ATOM   9078  CB  SER E  93      94.473  95.942  -0.755  1.00 18.84     0.199 C 
-ATOM   9079  OG  SER E  93      94.163  97.271  -0.305  1.00 18.98    -0.398 OA
-ATOM   9080  HG  SER E  93      94.588  97.454   0.525  1.00  0.00     0.209 HD
-ATOM   9081  N   LYS E  94      91.368  95.381  -1.548  1.00 19.93    -0.346 N 
-ATOM   9082  HN  LYS E  94      91.601  94.437  -1.240  1.00  0.00     0.163 HD
-ATOM   9083  CA  LYS E  94      89.989  95.881  -1.396  1.00 21.06     0.176 C 
-ATOM   9084  C   LYS E  94      90.021  96.971  -0.340  1.00 20.94     0.243 C 
-ATOM   9085  O   LYS E  94      90.813  96.862   0.587  1.00 21.02    -0.271 OA
-ATOM   9086  CB  LYS E  94      88.942  94.812  -0.943  1.00 22.30     0.035 C 
-ATOM   9087  CG  LYS E  94      89.142  93.359  -1.387  1.00 24.07     0.004 C 
-ATOM   9088  CD  LYS E  94      88.883  92.351  -0.220  1.00 30.33     0.027 C 
-ATOM   9089  CE  LYS E  94      90.187  92.001   0.576  1.00 32.48     0.229 C 
-ATOM   9090  NZ  LYS E  94      90.016  91.745   2.062  1.00 32.38    -0.079 N 
-ATOM   9091  HZ1 LYS E  94      90.865  91.517   2.580  1.00  0.00     0.274 HD
-ATOM   9092  HZ2 LYS E  94      89.316  91.017   2.209  1.00  0.00     0.274 HD
-ATOM   9093  HZ3 LYS E  94      89.549  92.540   2.498  1.00  0.00     0.274 HD
-ATOM   9094  N   PRO E  95      89.171  98.002  -0.466  1.00 20.66    -0.337 N 
-ATOM   9095  CA  PRO E  95      89.152  99.110   0.502  1.00 20.29     0.179 C 
-ATOM   9096  C   PRO E  95      88.841  98.674   1.925  1.00 20.94     0.241 C 
-ATOM   9097  O   PRO E  95      87.800  98.081   2.151  1.00 22.18    -0.271 OA
-ATOM   9098  CB  PRO E  95      88.034 100.038  -0.022  1.00 19.81     0.037 C 
-ATOM   9099  CG  PRO E  95      87.248  99.263  -0.989  1.00 19.65     0.022 C 
-ATOM   9100  CD  PRO E  95      88.161  98.176  -1.531  1.00 20.45     0.127 C 
-ATOM   9101  N   GLU E  96      89.715  98.942   2.870  1.00 22.10    -0.346 N 
-ATOM   9102  HN  GLU E  96      90.607  99.373   2.626  1.00  0.00     0.163 HD
-ATOM   9103  CA  GLU E  96      89.420  98.628   4.270  1.00 23.05     0.177 C 
-ATOM   9104  C   GLU E  96      88.771  99.890   4.875  1.00 22.04     0.241 C 
-ATOM   9105  O   GLU E  96      89.445 100.897   5.059  1.00 21.47    -0.271 OA
-ATOM   9106  CB  GLU E  96      90.722  98.244   5.013  1.00 23.57     0.045 C 
-ATOM   9107  CG  GLU E  96      90.580  97.608   6.397  1.00 28.31     0.116 C 
-ATOM   9108  CD  GLU E  96      91.939  97.298   7.021  1.00 35.03     0.172 C 
-ATOM   9109  OE1 GLU E  96      92.898  97.018   6.244  1.00 38.32    -0.648 OA
-ATOM   9110  OE2 GLU E  96      92.075  97.317   8.278  1.00 38.25    -0.648 OA
-ATOM   9111  N   VAL E  97      87.462  99.825   5.143  1.00 21.17    -0.346 N 
-ATOM   9112  HN  VAL E  97      86.956  98.972   4.905  1.00  0.00     0.163 HD
-ATOM   9113  CA  VAL E  97      86.721 100.935   5.768  1.00 19.90     0.180 C 
-ATOM   9114  C   VAL E  97      86.921 100.923   7.267  1.00 19.69     0.241 C 
-ATOM   9115  O   VAL E  97      86.569  99.960   7.930  1.00 19.20    -0.271 OA
-ATOM   9116  CB  VAL E  97      85.218 100.864   5.450  1.00 20.40     0.009 C 
-ATOM   9117  CG1 VAL E  97      84.507 102.038   6.070  1.00 19.28     0.012 C 
-ATOM   9118  CG2 VAL E  97      84.968 100.830   3.895  1.00 19.25     0.012 C 
-ATOM   9119  N   LEU E  98      87.480 102.006   7.802  1.00 19.19    -0.346 N 
-ATOM   9120  HN  LEU E  98      87.659 102.818   7.212  1.00  0.00     0.163 HD
-ATOM   9121  CA  LEU E  98      87.843 102.056   9.220  1.00 19.26     0.177 C 
-ATOM   9122  C   LEU E  98      86.769 102.649  10.112  1.00 18.95     0.241 C 
-ATOM   9123  O   LEU E  98      86.824 102.513  11.328  1.00 19.47    -0.271 OA
-ATOM   9124  CB  LEU E  98      89.154 102.819   9.406  1.00 19.39     0.038 C 
-ATOM   9125  CG  LEU E  98      90.338 102.361   8.513  1.00 20.20    -0.020 C 
-ATOM   9126  CD1 LEU E  98      91.523 103.306   8.683  1.00 19.43     0.009 C 
-ATOM   9127  CD2 LEU E  98      90.768 100.957   8.813  1.00 20.21     0.009 C 
-ATOM   9128  N   THR E  99      85.778 103.287   9.512  1.00 18.40    -0.344 N 
-ATOM   9129  HN  THR E  99      85.694 103.248   8.496  1.00  0.00     0.163 HD
-ATOM   9130  CA  THR E  99      84.812 104.040  10.283  1.00 18.15     0.205 C 
-ATOM   9131  C   THR E  99      83.406 103.467  10.195  1.00 18.30     0.245 C 
-ATOM   9132  O   THR E  99      83.147 102.708   9.293  1.00 18.48    -0.271 OA
-ATOM   9133  CB  THR E  99      84.812 105.533   9.816  1.00 18.19     0.146 C 
-ATOM   9134  CG2 THR E  99      86.052 106.245  10.352  1.00 16.98     0.042 C 
-ATOM   9135  OG1 THR E  99      84.941 105.628   8.388  1.00 16.49    -0.393 OA
-ATOM   9136  HG1 THR E  99      84.941 106.535   8.104  1.00  0.00     0.210 HD
-ATOM   9137  N   PRO E 100      82.499 103.836  11.117  1.00 18.85    -0.337 N 
-ATOM   9138  CA  PRO E 100      81.079 103.439  11.004  1.00 18.55     0.179 C 
-ATOM   9139  C   PRO E 100      80.510 103.775   9.638  1.00 18.99     0.241 C 
-ATOM   9140  O   PRO E 100      80.746 104.866   9.139  1.00 18.85    -0.271 OA
-ATOM   9141  CB  PRO E 100      80.403 104.248  12.105  1.00 18.60     0.037 C 
-ATOM   9142  CG  PRO E 100      81.494 104.462  13.126  1.00 19.26     0.022 C 
-ATOM   9143  CD  PRO E 100      82.750 104.622  12.339  1.00 18.12     0.127 C 
-ATOM   9144  N   GLN E 101      79.802 102.840   9.013  1.00 19.17    -0.346 N 
-ATOM   9145  HN  GLN E 101      79.578 101.967   9.491  1.00  0.00     0.163 HD
-ATOM   9146  CA  GLN E 101      79.339 103.060   7.632  1.00 19.69     0.177 C 
-ATOM   9147  C   GLN E 101      77.995 103.817   7.559  1.00 19.34     0.241 C 
-ATOM   9148  O   GLN E 101      76.955 103.252   7.171  1.00 19.46    -0.271 OA
-ATOM   9149  CB  GLN E 101      79.318 101.730   6.871  1.00 20.11     0.044 C 
-ATOM   9150  CG  GLN E 101      80.746 101.217   6.588  1.00 23.85     0.105 C 
-ATOM   9151  CD  GLN E 101      80.799  99.787   6.027  1.00 28.90     0.215 C 
-ATOM   9152  NE2 GLN E 101      81.614  98.935   6.649  1.00 29.03    -0.370 N 
-ATOM   9153 1HE2 GLN E 101      81.649  97.986   6.277  1.00  0.00     0.159 HD
-ATOM   9154 2HE2 GLN E 101      82.165  99.198   7.466  1.00  0.00     0.159 HD
-ATOM   9155  OE1 GLN E 101      80.127  99.467   5.031  1.00 31.68    -0.274 OA
-ATOM   9156  N   LEU E 102      78.035 105.091   7.955  1.00 18.55    -0.346 N 
-ATOM   9157  HN  LEU E 102      78.934 105.481   8.238  1.00  0.00     0.163 HD
-ATOM   9158  CA  LEU E 102      76.858 105.957   8.005  1.00 17.97     0.177 C 
-ATOM   9159  C   LEU E 102      77.100 107.164   7.122  1.00 17.53     0.241 C 
-ATOM   9160  O   LEU E 102      78.226 107.680   7.049  1.00 16.56    -0.271 OA
-ATOM   9161  CB  LEU E 102      76.609 106.447   9.434  1.00 18.11     0.038 C 
-ATOM   9162  CG  LEU E 102      76.447 105.409  10.559  1.00 20.59    -0.020 C 
-ATOM   9163  CD1 LEU E 102      76.339 106.100  11.934  1.00 21.69     0.009 C 
-ATOM   9164  CD2 LEU E 102      75.215 104.556  10.338  1.00 20.43     0.009 C 
-ATOM   9165  N   ALA E 103      76.053 107.608   6.436  1.00 16.78    -0.346 N 
-ATOM   9166  HN  ALA E 103      75.168 107.104   6.490  1.00  0.00     0.163 HD
-ATOM   9167  CA  ALA E 103      76.149 108.804   5.607  1.00 16.65     0.172 C 
-ATOM   9168  C   ALA E 103      75.266 109.840   6.297  1.00 17.12     0.240 C 
-ATOM   9169  O   ALA E 103      74.345 109.505   7.057  1.00 17.53    -0.271 OA
-ATOM   9170  CB  ALA E 103      75.650 108.538   4.181  1.00 16.33     0.042 C 
-ATOM   9171  N   ARG E 104      75.549 111.100   6.010  1.00 16.64    -0.346 N 
-ATOM   9172  HN  ARG E 104      76.349 111.305   5.412  1.00  0.00     0.163 HD
-ATOM   9173  CA  ARG E 104      74.757 112.190   6.520  1.00 16.50     0.176 C 
-ATOM   9174  C   ARG E 104      73.828 112.637   5.408  1.00 16.06     0.241 C 
-ATOM   9175  O   ARG E 104      74.278 112.837   4.293  1.00 16.65    -0.271 OA
-ATOM   9176  CB  ARG E 104      75.708 113.275   6.971  1.00 16.59     0.036 C 
-ATOM   9177  CG  ARG E 104      75.131 114.248   7.898  1.00 18.09     0.023 C 
-ATOM   9178  CD  ARG E 104      74.885 113.753   9.295  1.00 18.01     0.138 C 
-ATOM   9179  NE  ARG E 104      74.223 114.841   9.999  1.00 16.48    -0.227 N 
-ATOM   9180  HE  ARG E 104      74.185 115.745   9.528  1.00  0.00     0.177 HD
-ATOM   9181  CZ  ARG E 104      73.674 114.762  11.179  1.00 17.52     0.665 C 
-ATOM   9182  NH1 ARG E 104      73.678 113.612  11.867  1.00 13.84    -0.235 N 
-ATOM   9183 1HH1 ARG E 104      74.105 112.769  11.483  1.00  0.00     0.174 HD
-ATOM   9184 2HH1 ARG E 104      73.249 113.550  12.790  1.00  0.00     0.174 HD
-ATOM   9185  NH2 ARG E 104      73.113 115.869  11.683  1.00 15.16    -0.235 N 
-ATOM   9186 1HH2 ARG E 104      73.110 116.744  11.159  1.00  0.00     0.174 HD
-ATOM   9187 2HH2 ARG E 104      72.684 115.807  12.606  1.00  0.00     0.174 HD
-ATOM   9188  N   VAL E 105      72.525 112.705   5.674  1.00 15.49    -0.346 N 
-ATOM   9189  HN  VAL E 105      72.205 112.547   6.630  1.00  0.00     0.163 HD
-ATOM   9190  CA  VAL E 105      71.541 112.999   4.635  1.00 14.84     0.180 C 
-ATOM   9191  C   VAL E 105      70.802 114.292   5.042  1.00 15.21     0.241 C 
-ATOM   9192  O   VAL E 105      70.214 114.370   6.132  1.00 14.97    -0.271 OA
-ATOM   9193  CB  VAL E 105      70.529 111.826   4.457  1.00 15.08     0.009 C 
-ATOM   9194  CG1 VAL E 105      69.391 112.177   3.496  1.00 14.51     0.012 C 
-ATOM   9195  CG2 VAL E 105      71.230 110.541   3.997  1.00 14.80     0.012 C 
-ATOM   9196  N   VAL E 106      70.839 115.301   4.172  1.00 14.84    -0.346 N 
-ATOM   9197  HN  VAL E 106      71.375 115.193   3.311  1.00  0.00     0.163 HD
-ATOM   9198  CA  VAL E 106      70.129 116.567   4.417  1.00 14.81     0.180 C 
-ATOM   9199  C   VAL E 106      68.704 116.459   3.867  1.00 14.78     0.241 C 
-ATOM   9200  O   VAL E 106      68.475 115.714   2.911  1.00 14.70    -0.271 OA
-ATOM   9201  CB  VAL E 106      70.896 117.769   3.792  1.00 15.21     0.009 C 
-ATOM   9202  CG1 VAL E 106      70.306 119.139   4.252  1.00 13.58     0.012 C 
-ATOM   9203  CG2 VAL E 106      72.400 117.689   4.138  1.00 15.61     0.012 C 
-ATOM   9204  N   SER E 107      67.755 117.196   4.450  1.00 15.01    -0.344 N 
-ATOM   9205  HN  SER E 107      68.016 117.810   5.221  1.00  0.00     0.163 HD
-ATOM   9206  CA  SER E 107      66.352 117.157   4.025  1.00 15.61     0.200 C 
-ATOM   9207  C   SER E 107      66.080 117.463   2.547  1.00 16.08     0.243 C 
-ATOM   9208  O   SER E 107      65.005 117.135   2.037  1.00 15.53    -0.271 OA
-ATOM   9209  CB  SER E 107      65.489 118.073   4.899  1.00 15.37     0.199 C 
-ATOM   9210  OG  SER E 107      65.695 119.439   4.573  1.00 15.53    -0.398 OA
-ATOM   9211  HG  SER E 107      65.160 120.007   5.115  1.00  0.00     0.209 HD
-ATOM   9212  N   ASP E 108      67.007 118.135   1.868  1.00 16.86    -0.345 N 
-ATOM   9213  HN  ASP E 108      67.854 118.457   2.337  1.00  0.00     0.163 HD
-ATOM   9214  CA  ASP E 108      66.804 118.410   0.444  1.00 18.13     0.186 C 
-ATOM   9215  C   ASP E 108      67.291 117.247  -0.428  1.00 17.88     0.241 C 
-ATOM   9216  O   ASP E 108      67.152 117.299  -1.632  1.00 18.11    -0.271 OA
-ATOM   9217  CB  ASP E 108      67.435 119.749   0.010  1.00 18.49     0.147 C 
-ATOM   9218  CG  ASP E 108      68.953 119.776   0.192  1.00 21.53     0.175 C 
-ATOM   9219  OD1 ASP E 108      69.563 118.740   0.582  1.00 23.43    -0.648 OA
-ATOM   9220  OD2 ASP E 108      69.629 120.804  -0.012  1.00 24.83    -0.648 OA
-ATOM   9221  N   GLY E 109      67.855 116.212   0.189  1.00 17.75    -0.351 N 
-ATOM   9222  HN  GLY E 109      67.957 116.238   1.204  1.00  0.00     0.163 HD
-ATOM   9223  CA  GLY E 109      68.326 115.055  -0.531  1.00 17.73     0.225 C 
-ATOM   9224  C   GLY E 109      69.827 115.017  -0.742  1.00 18.17     0.236 C 
-ATOM   9225  O   GLY E 109      70.332 114.079  -1.390  1.00 18.40    -0.272 OA
-ATOM   9226  N   GLU E 110      70.552 115.997  -0.209  1.00 17.87    -0.346 N 
-ATOM   9227  HN  GLU E 110      70.091 116.760   0.287  1.00  0.00     0.163 HD
-ATOM   9228  CA  GLU E 110      72.009 115.981  -0.334  1.00 18.78     0.177 C 
-ATOM   9229  C   GLU E 110      72.588 114.942   0.603  1.00 17.74     0.241 C 
-ATOM   9230  O   GLU E 110      72.166 114.832   1.753  1.00 17.38    -0.271 OA
-ATOM   9231  CB  GLU E 110      72.619 117.344   0.007  1.00 19.17     0.045 C 
-ATOM   9232  CG  GLU E 110      72.408 118.452  -1.014  1.00 24.42     0.116 C 
-ATOM   9233  CD  GLU E 110      72.852 118.080  -2.425  1.00 31.27     0.172 C 
-ATOM   9234  OE1 GLU E 110      74.047 117.683  -2.642  1.00 33.75    -0.648 OA
-ATOM   9235  OE2 GLU E 110      71.988 118.183  -3.334  1.00 34.35    -0.648 OA
-ATOM   9236  N   VAL E 111      73.579 114.208   0.119  1.00 17.04    -0.346 N 
-ATOM   9237  HN  VAL E 111      73.929 114.389  -0.822  1.00  0.00     0.163 HD
-ATOM   9238  CA  VAL E 111      74.171 113.150   0.913  1.00 16.49     0.180 C 
-ATOM   9239  C   VAL E 111      75.677 113.412   1.021  1.00 16.72     0.241 C 
-ATOM   9240  O   VAL E 111      76.318 113.754   0.049  1.00 16.06    -0.271 OA
-ATOM   9241  CB  VAL E 111      73.913 111.752   0.297  1.00 16.43     0.009 C 
-ATOM   9242  CG1 VAL E 111      74.455 110.607   1.223  1.00 15.91     0.012 C 
-ATOM   9243  CG2 VAL E 111      72.473 111.550  -0.038  1.00 14.71     0.012 C 
-ATOM   9244  N   LEU E 112      76.225 113.230   2.214  1.00 16.68    -0.346 N 
-ATOM   9245  HN  LEU E 112      75.615 113.115   3.024  1.00  0.00     0.163 HD
-ATOM   9246  CA  LEU E 112      77.666 113.189   2.408  1.00 16.89     0.177 C 
-ATOM   9247  C   LEU E 112      78.046 111.835   3.009  1.00 16.93     0.241 C 
-ATOM   9248  O   LEU E 112      77.629 111.515   4.109  1.00 15.80    -0.271 OA
-ATOM   9249  CB  LEU E 112      78.086 114.308   3.352  1.00 16.95     0.038 C 
-ATOM   9250  CG  LEU E 112      79.524 114.248   3.915  1.00 19.24    -0.020 C 
-ATOM   9251  CD1 LEU E 112      80.564 114.340   2.798  1.00 16.77     0.009 C 
-ATOM   9252  CD2 LEU E 112      79.765 115.342   4.971  1.00 20.08     0.009 C 
-ATOM   9253  N   TYR E 113      78.816 111.048   2.270  1.00 17.12    -0.346 N 
-ATOM   9254  HN  TYR E 113      79.016 111.301   1.302  1.00  0.00     0.163 HD
-ATOM   9255  CA  TYR E 113      79.385 109.814   2.831  1.00 17.90     0.180 C 
-ATOM   9256  C   TYR E 113      80.916 110.011   2.880  1.00 17.77     0.241 C 
-ATOM   9257  O   TYR E 113      81.520 110.325   1.880  1.00 18.00    -0.271 OA
-ATOM   9258  CB  TYR E 113      78.947 108.585   2.002  1.00 17.79     0.073 C 
-ATOM   9259  CG  TYR E 113      79.514 107.280   2.528  1.00 19.10    -0.056 A 
-ATOM   9260  CD1 TYR E 113      79.529 107.009   3.891  1.00 19.79     0.010 A 
-ATOM   9261  CD2 TYR E 113      80.061 106.332   1.659  1.00 20.34     0.010 A 
-ATOM   9262  CE1 TYR E 113      80.062 105.838   4.384  1.00 22.17     0.037 A 
-ATOM   9263  CE2 TYR E 113      80.594 105.132   2.149  1.00 19.89     0.037 A 
-ATOM   9264  CZ  TYR E 113      80.606 104.903   3.506  1.00 22.70     0.065 A 
-ATOM   9265  OH  TYR E 113      81.153 103.746   4.044  1.00 26.74    -0.361 OA
-ATOM   9266  HH  TYR E 113      81.524 103.108   3.445  1.00  0.00     0.217 HD
-ATOM   9267  N   MET E 114      81.528 109.881   4.050  1.00 17.73    -0.346 N 
-ATOM   9268  HN  MET E 114      80.993 109.581   4.865  1.00  0.00     0.163 HD
-ATOM   9269  CA  MET E 114      82.959 110.161   4.191  1.00 17.96     0.177 C 
-ATOM   9270  C   MET E 114      83.652 109.112   5.055  1.00 17.40     0.243 C 
-ATOM   9271  O   MET E 114      83.996 109.389   6.235  1.00 17.08    -0.271 OA
-ATOM   9272  CB  MET E 114      83.175 111.582   4.754  1.00 18.06     0.045 C 
-ATOM   9273  CG  MET E 114      84.651 112.066   4.802  1.00 20.92     0.076 C 
-ATOM   9274  SD  MET E 114      84.866 113.947   4.972  1.00 27.67    -0.173 SA
-ATOM   9275  CE  MET E 114      83.267 114.415   5.165  1.00 26.82     0.089 C 
-ATOM   9276  N   PRO E 115      83.849 107.912   4.508  1.00 17.05    -0.337 N 
-ATOM   9277  CA  PRO E 115      84.529 106.853   5.247  1.00 16.55     0.179 C 
-ATOM   9278  C   PRO E 115      86.058 107.129   5.354  1.00 17.02     0.241 C 
-ATOM   9279  O   PRO E 115      86.648 107.752   4.464  1.00 17.10    -0.271 OA
-ATOM   9280  CB  PRO E 115      84.259 105.624   4.392  1.00 16.88     0.037 C 
-ATOM   9281  CG  PRO E 115      84.108 106.106   2.999  1.00 16.48     0.022 C 
-ATOM   9282  CD  PRO E 115      83.464 107.472   3.146  1.00 17.39     0.127 C 
-ATOM   9283  N   SER E 116      86.683 106.728   6.455  1.00 16.70    -0.344 N 
-ATOM   9284  HN  SER E 116      86.145 106.544   7.302  1.00  0.00     0.163 HD
-ATOM   9285  CA  SER E 116      88.135 106.548   6.466  1.00 17.05     0.200 C 
-ATOM   9286  C   SER E 116      88.465 105.188   5.862  1.00 17.12     0.243 C 
-ATOM   9287  O   SER E 116      87.898 104.166   6.280  1.00 16.93    -0.271 OA
-ATOM   9288  CB  SER E 116      88.663 106.591   7.876  1.00 17.21     0.199 C 
-ATOM   9289  OG  SER E 116      90.065 106.836   7.929  1.00 18.89    -0.398 OA
-ATOM   9290  HG  SER E 116      90.398 106.863   8.818  1.00  0.00     0.209 HD
-ATOM   9291  N   ILE E 117      89.368 105.183   4.881  1.00 17.62    -0.346 N 
-ATOM   9292  HN  ILE E 117      89.841 106.057   4.649  1.00  0.00     0.163 HD
-ATOM   9293  CA  ILE E 117      89.708 103.990   4.129  1.00 17.67     0.180 C 
-ATOM   9294  C   ILE E 117      91.206 103.748   4.215  1.00 17.78     0.241 C 
-ATOM   9295  O   ILE E 117      91.999 104.679   4.099  1.00 17.66    -0.271 OA
-ATOM   9296  CB  ILE E 117      89.245 104.154   2.661  1.00 18.52     0.013 C 
-ATOM   9297  CG1 ILE E 117      87.701 104.133   2.586  1.00 20.06     0.002 C 
-ATOM   9298  CG2 ILE E 117      89.877 103.085   1.737  1.00 17.70     0.012 C 
-ATOM   9299  CD1 ILE E 117      87.141 104.059   1.216  1.00 20.98     0.005 C 
-ATOM   9300  N   ARG E 118      91.578 102.494   4.443  1.00 17.78    -0.346 N 
-ATOM   9301  HN  ARG E 118      90.878 101.823   4.761  1.00  0.00     0.163 HD
-ATOM   9302  CA  ARG E 118      92.939 102.047   4.257  1.00 18.02     0.176 C 
-ATOM   9303  C   ARG E 118      92.987 101.176   3.001  1.00 17.74     0.241 C 
-ATOM   9304  O   ARG E 118      92.183 100.258   2.829  1.00 17.53    -0.271 OA
-ATOM   9305  CB  ARG E 118      93.442 101.288   5.472  1.00 18.16     0.036 C 
-ATOM   9306  CG  ARG E 118      94.928 100.966   5.363  1.00 19.82     0.023 C 
-ATOM   9307  CD  ARG E 118      95.495 100.084   6.460  1.00 23.07     0.138 C 
-ATOM   9308  NE  ARG E 118      96.923  99.836   6.240  1.00 26.40    -0.227 N 
-ATOM   9309  HE  ARG E 118      97.255  99.795   5.276  1.00  0.00     0.177 HD
-ATOM   9310  CZ  ARG E 118      97.822  99.660   7.217  1.00 28.08     0.665 C 
-ATOM   9311  NH1 ARG E 118      97.441  99.703   8.501  1.00 27.95    -0.235 N 
-ATOM   9312 1HH1 ARG E 118      98.126  99.569   9.245  1.00  0.00     0.174 HD
-ATOM   9313 2HH1 ARG E 118      96.464  99.882   8.733  1.00  0.00     0.174 HD
-ATOM   9314  NH2 ARG E 118      99.102  99.426   6.913  1.00 27.50    -0.235 N 
-ATOM   9315 1HH2 ARG E 118      99.787  99.292   7.657  1.00  0.00     0.174 HD
-ATOM   9316 2HH2 ARG E 118      99.392  99.393   5.936  1.00  0.00     0.174 HD
-ATOM   9317  N   GLN E 119      93.913 101.490   2.108  1.00 17.40    -0.346 N 
-ATOM   9318  HN  GLN E 119      94.570 102.242   2.315  1.00  0.00     0.163 HD
-ATOM   9319  CA  GLN E 119      94.016 100.784   0.833  1.00 17.14     0.177 C 
-ATOM   9320  C   GLN E 119      95.437 100.850   0.270  1.00 16.87     0.241 C 
-ATOM   9321  O   GLN E 119      96.189 101.819   0.491  1.00 16.79    -0.271 OA
-ATOM   9322  CB  GLN E 119      93.036 101.374  -0.179  1.00 17.34     0.044 C 
-ATOM   9323  CG  GLN E 119      92.690 100.429  -1.335  1.00 17.46     0.105 C 
-ATOM   9324  CD  GLN E 119      91.426 100.872  -2.041  1.00 18.38     0.215 C 
-ATOM   9325  NE2 GLN E 119      90.774  99.959  -2.709  1.00 17.88    -0.370 N 
-ATOM   9326 1HE2 GLN E 119      91.086  98.990  -2.772  1.00  0.00     0.159 HD
-ATOM   9327 2HE2 GLN E 119      89.922 100.257  -3.185  1.00  0.00     0.159 HD
-ATOM   9328  OE1 GLN E 119      91.043 102.062  -1.964  1.00 19.94    -0.274 OA
-ATOM   9329  N   ARG E 120      95.787  99.793  -0.442  1.00 16.04    -0.346 N 
-ATOM   9330  HN  ARG E 120      95.099  99.054  -0.587  1.00  0.00     0.163 HD
-ATOM   9331  CA  ARG E 120      97.094  99.639  -1.021  1.00 15.99     0.176 C 
-ATOM   9332  C   ARG E 120      96.930  99.996  -2.526  1.00 14.88     0.241 C 
-ATOM   9333  O   ARG E 120      95.924  99.633  -3.140  1.00 13.11    -0.271 OA
-ATOM   9334  CB  ARG E 120      97.546  98.183  -0.747  1.00 16.07     0.036 C 
-ATOM   9335  CG  ARG E 120      99.047  97.905  -0.672  1.00 19.34     0.023 C 
-ATOM   9336  CD  ARG E 120      99.454  96.583   0.067  1.00 26.04     0.138 C 
-ATOM   9337  NE  ARG E 120      98.557  96.266   1.202  1.00 28.45    -0.227 N 
-ATOM   9338  HE  ARG E 120      98.718  96.751   2.085  1.00  0.00     0.177 HD
-ATOM   9339  CZ  ARG E 120      97.546  95.384   1.148  1.00 27.54     0.665 C 
-ATOM   9340  NH1 ARG E 120      97.327  94.702   0.030  1.00 28.81    -0.235 N 
-ATOM   9341 1HH1 ARG E 120      97.931  94.857  -0.777  1.00  0.00     0.174 HD
-ATOM   9342 2HH1 ARG E 120      96.559  94.032  -0.011  1.00  0.00     0.174 HD
-ATOM   9343  NH2 ARG E 120      96.756  95.182   2.203  1.00 23.98    -0.235 N 
-ATOM   9344 1HH2 ARG E 120      96.924  95.706   3.062  1.00  0.00     0.174 HD
-ATOM   9345 2HH2 ARG E 120      95.988  94.512   2.162  1.00  0.00     0.174 HD
-ATOM   9346  N   PHE E 121      97.903 100.718  -3.097  1.00 14.80    -0.346 N 
-ATOM   9347  HN  PHE E 121      98.714 100.981  -2.537  1.00  0.00     0.163 HD
-ATOM   9348  CA  PHE E 121      97.844 101.143  -4.498  1.00 15.22     0.180 C 
-ATOM   9349  C   PHE E 121      99.155 100.843  -5.248  1.00 15.80     0.241 C 
-ATOM   9350  O   PHE E 121     100.222 100.753  -4.648  1.00 16.69    -0.271 OA
-ATOM   9351  CB  PHE E 121      97.535 102.646  -4.627  1.00 15.56     0.073 C 
-ATOM   9352  CG  PHE E 121      96.233 103.086  -3.995  1.00 16.04    -0.056 A 
-ATOM   9353  CD1 PHE E 121      95.059 103.178  -4.756  1.00 17.95     0.007 A 
-ATOM   9354  CD2 PHE E 121      96.179 103.459  -2.659  1.00 11.80     0.007 A 
-ATOM   9355  CE1 PHE E 121      93.846 103.604  -4.173  1.00 17.25     0.001 A 
-ATOM   9356  CE2 PHE E 121      94.963 103.879  -2.067  1.00 14.87     0.001 A 
-ATOM   9357  CZ  PHE E 121      93.796 103.940  -2.824  1.00 17.07     0.000 A 
-ATOM   9358  N   SER E 122      99.054 100.684  -6.559  1.00 16.03    -0.344 N 
-ATOM   9359  HN  SER E 122      98.119 100.636  -6.964  1.00  0.00     0.163 HD
-ATOM   9360  CA  SER E 122     100.186 100.574  -7.453  1.00 16.65     0.200 C 
-ATOM   9361  C   SER E 122     100.335 101.930  -8.111  1.00 17.26     0.243 C 
-ATOM   9362  O   SER E 122      99.403 102.407  -8.777  1.00 16.36    -0.271 OA
-ATOM   9363  CB  SER E 122      99.932  99.510  -8.517  1.00 16.12     0.199 C 
-ATOM   9364  OG  SER E 122     100.765  99.719  -9.645  1.00 16.58    -0.398 OA
-ATOM   9365  HG  SER E 122     100.607  99.057 -10.307  1.00  0.00     0.209 HD
-ATOM   9366  N   CYS E 123     101.502 102.544  -7.926  1.00 18.13    -0.345 N 
-ATOM   9367  HN  CYS E 123     102.230 102.069  -7.392  1.00  0.00     0.163 HD
-ATOM   9368  CA  CYS E 123     101.774 103.874  -8.462  1.00 20.02     0.186 C 
-ATOM   9369  C   CYS E 123     103.248 104.239  -8.370  1.00 19.67     0.242 C 
-ATOM   9370  O   CYS E 123     104.061 103.465  -7.841  1.00 19.53    -0.271 OA
-ATOM   9371  CB  CYS E 123     100.906 104.924  -7.757  1.00 21.03     0.120 C 
-ATOM   9372  SG  CYS E 123     101.156 105.057  -5.979  1.00 25.98    -0.095 SA
-ATOM   9373  N   ASP E 124     103.581 105.403  -8.922  1.00 19.72    -0.345 N 
-ATOM   9374  HN  ASP E 124     102.839 106.005  -9.278  1.00  0.00     0.163 HD
-ATOM   9375  CA  ASP E 124     104.962 105.853  -9.039  1.00 19.67     0.186 C 
-ATOM   9376  C   ASP E 124     105.551 106.306  -7.707  1.00 19.49     0.241 C 
-ATOM   9377  O   ASP E 124     105.278 107.400  -7.227  1.00 19.67    -0.271 OA
-ATOM   9378  CB  ASP E 124     105.068 106.972 -10.078  1.00 19.67     0.147 C 
-ATOM   9379  CG  ASP E 124     106.474 107.139 -10.609  1.00 20.44     0.175 C 
-ATOM   9380  OD1 ASP E 124     107.397 106.465 -10.089  1.00 19.82    -0.648 OA
-ATOM   9381  OD2 ASP E 124     106.746 107.941 -11.532  1.00 21.43    -0.648 OA
-ATOM   9382  N   VAL E 125     106.368 105.452  -7.114  1.00 19.26    -0.346 N 
-ATOM   9383  HN  VAL E 125     106.545 104.551  -7.559  1.00  0.00     0.163 HD
-ATOM   9384  CA  VAL E 125     107.027 105.752  -5.844  1.00 18.98     0.180 C 
-ATOM   9385  C   VAL E 125     108.450 106.317  -6.034  1.00 18.64     0.241 C 
-ATOM   9386  O   VAL E 125     109.091 106.733  -5.071  1.00 18.30    -0.271 OA
-ATOM   9387  CB  VAL E 125     107.008 104.497  -4.922  1.00 19.19     0.009 C 
-ATOM   9388  CG1 VAL E 125     107.672 104.762  -3.597  1.00 19.16     0.012 C 
-ATOM   9389  CG2 VAL E 125     105.568 104.045  -4.678  1.00 18.73     0.012 C 
-ATOM   9390  N   SER E 126     108.925 106.370  -7.280  1.00 18.54    -0.344 N 
-ATOM   9391  HN  SER E 126     108.355 106.023  -8.051  1.00  0.00     0.163 HD
-ATOM   9392  CA  SER E 126     110.260 106.922  -7.555  1.00 18.57     0.200 C 
-ATOM   9393  C   SER E 126     110.399 108.368  -7.047  1.00 18.26     0.242 C 
-ATOM   9394  O   SER E 126     109.472 109.178  -7.165  1.00 17.70    -0.271 OA
-ATOM   9395  CB  SER E 126     110.626 106.825  -9.038  1.00 18.49     0.199 C 
-ATOM   9396  OG  SER E 126     109.795 107.678  -9.801  1.00 18.81    -0.398 OA
-ATOM   9397  HG  SER E 126     110.022 107.618 -10.721  1.00  0.00     0.209 HD
-ATOM   9398  N   GLY E 127     111.560 108.646  -6.456  1.00 17.89    -0.350 N 
-ATOM   9399  HN  GLY E 127     112.259 107.907  -6.378  1.00  0.00     0.163 HD
-ATOM   9400  CA  GLY E 127     111.870 109.956  -5.919  1.00 17.70     0.225 C 
-ATOM   9401  C   GLY E 127     111.342 110.234  -4.523  1.00 17.53     0.236 C 
-ATOM   9402  O   GLY E 127     111.486 111.338  -4.030  1.00 17.49    -0.272 OA
-ATOM   9403  N   VAL E 128     110.738 109.237  -3.879  1.00 17.27    -0.346 N 
-ATOM   9404  HN  VAL E 128     110.710 108.312  -4.309  1.00  0.00     0.163 HD
-ATOM   9405  CA  VAL E 128     110.115 109.434  -2.572  1.00 17.30     0.180 C 
-ATOM   9406  C   VAL E 128     111.081 109.926  -1.516  1.00 17.41     0.241 C 
-ATOM   9407  O   VAL E 128     110.677 110.653  -0.601  1.00 17.41    -0.271 OA
-ATOM   9408  CB  VAL E 128     109.402 108.167  -2.061  1.00 17.15     0.009 C 
-ATOM   9409  CG1 VAL E 128     110.395 107.034  -1.749  1.00 16.93     0.012 C 
-ATOM   9410  CG2 VAL E 128     108.556 108.494  -0.848  1.00 17.42     0.012 C 
-ATOM   9411  N   ASP E 129     112.332 109.489  -1.634  1.00 17.50    -0.345 N 
-ATOM   9412  HN  ASP E 129     112.563 108.857  -2.400  1.00  0.00     0.163 HD
-ATOM   9413  CA  ASP E 129     113.378 109.881  -0.711  1.00 18.11     0.186 C 
-ATOM   9414  C   ASP E 129     114.311 110.927  -1.346  1.00 17.71     0.241 C 
-ATOM   9415  O   ASP E 129     115.459 111.058  -0.936  1.00 17.72    -0.271 OA
-ATOM   9416  CB  ASP E 129     114.150 108.643  -0.191  1.00 18.47     0.147 C 
-ATOM   9417  CG  ASP E 129     114.990 108.946   1.073  1.00 20.89     0.175 C 
-ATOM   9418  OD1 ASP E 129     114.715 109.949   1.797  1.00 22.00    -0.648 OA
-ATOM   9419  OD2 ASP E 129     115.965 108.237   1.417  1.00 22.36    -0.648 OA
-ATOM   9420  N   THR E 130     113.804 111.657  -2.346  1.00 17.52    -0.344 N 
-ATOM   9421  HN  THR E 130     112.926 111.357  -2.771  1.00  0.00     0.163 HD
-ATOM   9422  CA  THR E 130     114.455 112.875  -2.863  1.00 17.39     0.205 C 
-ATOM   9423  C   THR E 130     113.691 114.085  -2.328  1.00 17.68     0.243 C 
-ATOM   9424  O   THR E 130     112.693 113.929  -1.619  1.00 17.80    -0.271 OA
-ATOM   9425  CB  THR E 130     114.463 112.927  -4.412  1.00 17.59     0.146 C 
-ATOM   9426  CG2 THR E 130     115.072 111.644  -5.030  1.00 17.51     0.042 C 
-ATOM   9427  OG1 THR E 130     113.112 112.956  -4.916  1.00 15.23    -0.393 OA
-ATOM   9428  HG1 THR E 130     113.117 112.988  -5.865  1.00  0.00     0.210 HD
-ATOM   9429  N   GLU E 131     114.133 115.282  -2.694  1.00 17.82    -0.346 N 
-ATOM   9430  HN  GLU E 131     114.924 115.348  -3.335  1.00  0.00     0.163 HD
-ATOM   9431  CA  GLU E 131     113.511 116.502  -2.199  1.00 18.06     0.177 C 
-ATOM   9432  C   GLU E 131     112.205 116.837  -2.933  1.00 18.19     0.241 C 
-ATOM   9433  O   GLU E 131     111.240 117.257  -2.307  1.00 18.24    -0.271 OA
-ATOM   9434  CB  GLU E 131     114.488 117.674  -2.271  1.00 18.20     0.045 C 
-ATOM   9435  CG  GLU E 131     114.578 118.515  -0.999  1.00 18.67     0.116 C 
-ATOM   9436  CD  GLU E 131     115.125 119.914  -1.254  1.00 19.89     0.172 C 
-ATOM   9437  OE1 GLU E 131     114.665 120.557  -2.215  1.00 20.73    -0.648 OA
-ATOM   9438  OE2 GLU E 131     116.017 120.383  -0.502  1.00 21.33    -0.648 OA
-ATOM   9439  N   SER E 132     112.191 116.663  -4.253  1.00 18.42    -0.344 N 
-ATOM   9440  HN  SER E 132     113.047 116.343  -4.706  1.00  0.00     0.163 HD
-ATOM   9441  CA  SER E 132     111.011 116.906  -5.091  1.00 19.01     0.200 C 
-ATOM   9442  C   SER E 132     109.915 115.852  -4.842  1.00 18.80     0.242 C 
-ATOM   9443  O   SER E 132     108.757 116.042  -5.217  1.00 18.86    -0.271 OA
-ATOM   9444  CB  SER E 132     111.409 116.936  -6.573  1.00 19.46     0.199 C 
-ATOM   9445  OG  SER E 132     111.662 115.621  -7.035  1.00 21.70    -0.398 OA
-ATOM   9446  HG  SER E 132     111.908 115.640  -7.952  1.00  0.00     0.209 HD
-ATOM   9447  N   GLY E 133     110.308 114.745  -4.212  1.00 18.61    -0.350 N 
-ATOM   9448  HN  GLY E 133     111.304 114.614  -4.037  1.00  0.00     0.163 HD
-ATOM   9449  CA  GLY E 133     109.388 113.719  -3.763  1.00 18.11     0.225 C 
-ATOM   9450  C   GLY E 133     108.844 112.814  -4.851  1.00 18.29     0.236 C 
-ATOM   9451  O   GLY E 133     109.209 112.925  -6.030  1.00 17.57    -0.272 OA
-ATOM   9452  N   ALA E 134     107.971 111.898  -4.438  1.00 18.23    -0.347 N 
-ATOM   9453  HN  ALA E 134     107.780 111.809  -3.440  1.00  0.00     0.163 HD
-ATOM   9454  CA  ALA E 134     107.280 111.019  -5.373  1.00 18.90     0.172 C 
-ATOM   9455  C   ALA E 134     105.888 111.579  -5.682  1.00 19.37     0.240 C 
-ATOM   9456  O   ALA E 134     105.336 112.379  -4.907  1.00 19.13    -0.271 OA
-ATOM   9457  CB  ALA E 134     107.175 109.582  -4.797  1.00 18.46     0.042 C 
-ATOM   9458  N   THR E 135     105.346 111.186  -6.830  1.00 19.98    -0.344 N 
-ATOM   9459  HN  THR E 135     105.903 110.650  -7.495  1.00  0.00     0.163 HD
-ATOM   9460  CA  THR E 135     103.969 111.513  -7.144  1.00 20.94     0.205 C 
-ATOM   9461  C   THR E 135     103.157 110.254  -7.479  1.00 21.42     0.243 C 
-ATOM   9462  O   THR E 135     103.337 109.633  -8.530  1.00 21.54    -0.271 OA
-ATOM   9463  CB  THR E 135     103.914 112.578  -8.229  1.00 21.25     0.146 C 
-ATOM   9464  CG2 THR E 135     102.584 113.331  -8.149  1.00 21.26     0.042 C 
-ATOM   9465  OG1 THR E 135     104.886 113.587  -7.919  1.00 21.24    -0.393 OA
-ATOM   9466  HG1 THR E 135     105.712 113.120  -7.969  1.00  0.00     0.210 HD
-ATOM   9467  N   CYS E 136     102.286 109.882  -6.543  1.00 21.72    -0.345 N 
-ATOM   9468  HN  CYS E 136     102.237 110.431  -5.685  1.00  0.00     0.163 HD
-ATOM   9469  CA  CYS E 136     101.396 108.729  -6.679  1.00 22.98     0.186 C 
-ATOM   9470  C   CYS E 136     100.041 109.220  -7.174  1.00 22.44     0.241 C 
-ATOM   9471  O   CYS E 136      99.430 110.113  -6.585  1.00 22.54    -0.271 OA
-ATOM   9472  CB  CYS E 136     101.230 107.950  -5.348  1.00 22.52     0.120 C 
-ATOM   9473  SG  CYS E 136      99.964 106.608  -5.310  1.00 30.15    -0.095 SA
-ATOM   9474  N   ARG E 137      99.586 108.638  -8.272  1.00 21.99    -0.346 N 
-ATOM   9475  HN  ARG E 137     100.142 107.907  -8.717  1.00  0.00     0.163 HD
-ATOM   9476  CA  ARG E 137      98.319 109.016  -8.853  1.00 21.48     0.176 C 
-ATOM   9477  C   ARG E 137      97.261 107.938  -8.557  1.00 20.79     0.241 C 
-ATOM   9478  O   ARG E 137      97.452 106.741  -8.852  1.00 20.46    -0.271 OA
-ATOM   9479  CB  ARG E 137      98.486 109.292 -10.345  1.00 20.98     0.036 C 
-ATOM   9480  CG  ARG E 137      97.195 109.384 -11.165  1.00 23.20     0.023 C 
-ATOM   9481  CD  ARG E 137      97.433 109.533 -12.696  1.00 26.06     0.138 C 
-ATOM   9482  NE  ARG E 137      97.738 108.268 -13.380  1.00 26.27    -0.227 N 
-ATOM   9483  HE  ARG E 137      96.971 107.615 -13.538  1.00  0.00     0.177 HD
-ATOM   9484  CZ  ARG E 137      98.954 107.917 -13.809  1.00 26.67     0.665 C 
-ATOM   9485  NH1 ARG E 137      99.997 108.724 -13.611  1.00 24.67    -0.235 N 
-ATOM   9486 1HH1 ARG E 137      99.862 109.614 -13.131  1.00  0.00     0.174 HD
-ATOM   9487 2HH1 ARG E 137     100.925 108.456 -13.938  1.00  0.00     0.174 HD
-ATOM   9488  NH2 ARG E 137      99.130 106.756 -14.436  1.00 25.37    -0.235 N 
-ATOM   9489 1HH2 ARG E 137      98.332 106.139 -14.587  1.00  0.00     0.174 HD
-ATOM   9490 2HH2 ARG E 137     100.058 106.488 -14.763  1.00  0.00     0.174 HD
-ATOM   9491  N   ILE E 138      96.166 108.357  -7.938  1.00 19.37    -0.346 N 
-ATOM   9492  HN  ILE E 138      96.095 109.336  -7.661  1.00  0.00     0.163 HD
-ATOM   9493  CA  ILE E 138      95.061 107.453  -7.643  1.00 18.81     0.180 C 
-ATOM   9494  C   ILE E 138      93.882 107.810  -8.554  1.00 18.59     0.241 C 
-ATOM   9495  O   ILE E 138      93.425 108.971  -8.576  1.00 18.12    -0.271 OA
-ATOM   9496  CB  ILE E 138      94.646 107.511  -6.143  1.00 19.18     0.013 C 
-ATOM   9497  CG1 ILE E 138      95.794 107.041  -5.244  1.00 17.69     0.002 C 
-ATOM   9498  CG2 ILE E 138      93.379 106.681  -5.883  1.00 19.38     0.012 C 
-ATOM   9499  CD1 ILE E 138      95.791 107.714  -3.903  1.00 16.66     0.005 C 
-ATOM   9500  N   LYS E 139      93.426 106.818  -9.321  1.00 17.53    -0.346 N 
-ATOM   9501  HN  LYS E 139      93.849 105.893  -9.241  1.00  0.00     0.163 HD
-ATOM   9502  CA  LYS E 139      92.342 107.023 -10.267  1.00 17.37     0.176 C 
-ATOM   9503  C   LYS E 139      91.027 106.424  -9.724  1.00 17.29     0.241 C 
-ATOM   9504  O   LYS E 139      90.933 105.207  -9.465  1.00 16.72    -0.271 OA
-ATOM   9505  CB  LYS E 139      92.699 106.446 -11.649  1.00 16.86     0.035 C 
-ATOM   9506  CG  LYS E 139      91.517 106.379 -12.615  1.00 17.02     0.004 C 
-ATOM   9507  CD  LYS E 139      91.888 105.679 -13.917  1.00 19.99     0.027 C 
-ATOM   9508  CE  LYS E 139      90.650 105.217 -14.675  1.00 20.22     0.229 C 
-ATOM   9509  NZ  LYS E 139      91.054 104.503 -15.946  1.00 24.34    -0.079 N 
-ATOM   9510  HZ1 LYS E 139      90.225 104.194 -16.454  1.00  0.00     0.274 HD
-ATOM   9511  HZ2 LYS E 139      91.698 103.734 -15.763  1.00  0.00     0.274 HD
-ATOM   9512  HZ3 LYS E 139      91.666 105.076 -16.527  1.00  0.00     0.274 HD
-ATOM   9513  N   ILE E 140      90.036 107.295  -9.532  1.00 16.69    -0.346 N 
-ATOM   9514  HN  ILE E 140      90.171 108.278  -9.769  1.00  0.00     0.163 HD
-ATOM   9515  CA  ILE E 140      88.766 106.851  -8.987  1.00 16.88     0.180 C 
-ATOM   9516  C   ILE E 140      87.574 107.193  -9.896  1.00 16.34     0.241 C 
-ATOM   9517  O   ILE E 140      87.407 108.341 -10.301  1.00 16.02    -0.271 OA
-ATOM   9518  CB  ILE E 140      88.537 107.447  -7.579  1.00 17.26     0.013 C 
-ATOM   9519  CG1 ILE E 140      89.540 106.884  -6.556  1.00 17.27     0.002 C 
-ATOM   9520  CG2 ILE E 140      87.078 107.182  -7.117  1.00 15.97     0.012 C 
-ATOM   9521  CD1 ILE E 140      89.835 107.914  -5.414  1.00 20.20     0.005 C 
-ATOM   9522  N   GLY E 141      86.737 106.204 -10.190  1.00 15.32    -0.351 N 
-ATOM   9523  HN  GLY E 141      86.939 105.255  -9.877  1.00  0.00     0.163 HD
-ATOM   9524  CA  GLY E 141      85.535 106.474 -10.957  1.00 14.86     0.225 C 
-ATOM   9525  C   GLY E 141      84.487 105.411 -10.722  1.00 14.95     0.236 C 
-ATOM   9526  O   GLY E 141      84.732 104.434  -9.995  1.00 14.50    -0.272 OA
-ATOM   9527  N   SER E 142      83.322 105.614 -11.337  1.00 13.91    -0.344 N 
-ATOM   9528  HN  SER E 142      83.193 106.446 -11.913  1.00  0.00     0.163 HD
-ATOM   9529  CA  SER E 142      82.246 104.672 -11.197  1.00 14.12     0.200 C 
-ATOM   9530  C   SER E 142      82.659 103.392 -11.961  1.00 13.58     0.243 C 
-ATOM   9531  O   SER E 142      83.113 103.466 -13.093  1.00 13.19    -0.271 OA
-ATOM   9532  CB  SER E 142      80.950 105.253 -11.773  1.00 13.98     0.199 C 
-ATOM   9533  OG  SER E 142      79.995 104.220 -11.956  1.00 15.97    -0.398 OA
-ATOM   9534  HG  SER E 142      79.192 104.580 -12.313  1.00  0.00     0.209 HD
-ATOM   9535  N   TRP E 143      82.481 102.249 -11.343  1.00 12.37    -0.346 N 
-ATOM   9536  HN  TRP E 143      82.080 102.236 -10.405  1.00  0.00     0.163 HD
-ATOM   9537  CA  TRP E 143      82.855 100.991 -11.993  1.00 12.27     0.181 C 
-ATOM   9538  C   TRP E 143      81.944 100.584 -13.163  1.00 11.75     0.241 C 
-ATOM   9539  O   TRP E 143      82.392 100.046 -14.170  1.00 11.79    -0.271 OA
-ATOM   9540  CB  TRP E 143      82.919  99.854 -10.955  1.00 11.73     0.075 C 
-ATOM   9541  CG  TRP E 143      83.649  98.661 -11.538  1.00 13.70    -0.028 A 
-ATOM   9542  CD1 TRP E 143      83.154  97.413 -11.769  1.00 13.14     0.096 A 
-ATOM   9543  CD2 TRP E 143      85.014  98.638 -12.010  1.00 13.61    -0.002 A 
-ATOM   9544  CE2 TRP E 143      85.275  97.330 -12.477  1.00 10.44     0.042 A 
-ATOM   9545  CE3 TRP E 143      86.052  99.578 -12.032  1.00  8.99     0.014 A 
-ATOM   9546  NE1 TRP E 143      84.123  96.607 -12.326  1.00  9.75    -0.365 N 
-ATOM   9547  HE1 TRP E 143      84.001  95.628 -12.584  1.00  0.00     0.165 HD
-ATOM   9548  CZ2 TRP E 143      86.524  96.946 -12.987  1.00 12.19     0.030 A 
-ATOM   9549  CZ3 TRP E 143      87.283  99.199 -12.541  1.00 11.42     0.001 A 
-ATOM   9550  CH2 TRP E 143      87.508  97.886 -13.014  1.00 11.17     0.002 A 
-ATOM   9551  N   THR E 144      80.648 100.811 -13.009  1.00 11.53    -0.344 N 
-ATOM   9552  HN  THR E 144      80.328 101.328 -12.190  1.00  0.00     0.163 HD
-ATOM   9553  CA  THR E 144      79.662 100.339 -13.984  1.00 10.89     0.205 C 
-ATOM   9554  C   THR E 144      78.778 101.414 -14.601  1.00 11.11     0.243 C 
-ATOM   9555  O   THR E 144      77.985 101.105 -15.473  1.00 10.60    -0.271 OA
-ATOM   9556  CB  THR E 144      78.737  99.230 -13.450  1.00 10.49     0.146 C 
-ATOM   9557  CG2 THR E 144      79.524  98.196 -12.654  1.00 10.70     0.042 C 
-ATOM   9558  OG1 THR E 144      77.757  99.779 -12.533  1.00  8.27    -0.393 OA
-ATOM   9559  HG1 THR E 144      77.186  99.095 -12.204  1.00  0.00     0.210 HD
-ATOM   9560  N   HIS E 145      78.875 102.662 -14.137  1.00 10.94    -0.346 N 
-ATOM   9561  HN  HIS E 145      79.551 102.886 -13.407  1.00  0.00     0.163 HD
-ATOM   9562  CA  HIS E 145      78.017 103.696 -14.675  1.00 10.86     0.182 C 
-ATOM   9563  C   HIS E 145      78.785 104.670 -15.546  1.00 11.03     0.241 C 
-ATOM   9564  O   HIS E 145      79.696 105.333 -15.076  1.00 11.18    -0.271 OA
-ATOM   9565  CB  HIS E 145      77.320 104.444 -13.555  1.00 11.10     0.093 C 
-ATOM   9566  CG  HIS E 145      76.165 103.711 -12.991  1.00 10.74     0.028 A 
-ATOM   9567  CD2 HIS E 145      74.938 103.463 -13.504  1.00  7.74     0.114 A 
-ATOM   9568  ND1 HIS E 145      76.201 103.103 -11.753  1.00 11.07    -0.354 N 
-ATOM   9569  HD1 HIS E 145      77.001 103.097 -11.120  1.00  0.00     0.166 HD
-ATOM   9570  CE1 HIS E 145      75.036 102.531 -11.518  1.00  9.48     0.180 A 
-ATOM   9571  NE2 HIS E 145      74.249 102.743 -12.561  1.00  8.80    -0.360 N 
-ATOM   9572  HE2 HIS E 145      73.285 102.422 -12.649  1.00  0.00     0.166 HD
-ATOM   9573  N   HIS E 146      78.431 104.731 -16.826  1.00 10.71    -0.346 N 
-ATOM   9574  HN  HIS E 146      77.678 104.133 -17.166  1.00  0.00     0.163 HD
-ATOM   9575  CA  HIS E 146      79.102 105.640 -17.758  1.00 11.38     0.182 C 
-ATOM   9576  C   HIS E 146      78.699 107.108 -17.562  1.00 11.51     0.241 C 
-ATOM   9577  O   HIS E 146      77.906 107.435 -16.675  1.00 11.18    -0.271 OA
-ATOM   9578  CB  HIS E 146      78.912 105.236 -19.239  1.00 10.75     0.093 C 
-ATOM   9579  CG  HIS E 146      77.483 105.143 -19.661  1.00 11.28     0.028 A 
-ATOM   9580  CD2 HIS E 146      76.690 104.070 -19.885  1.00 10.86     0.114 A 
-ATOM   9581  ND1 HIS E 146      76.706 106.251 -19.915  1.00 12.59    -0.354 N 
-ATOM   9582  HD1 HIS E 146      77.024 107.219 -19.862  1.00  0.00     0.166 HD
-ATOM   9583  CE1 HIS E 146      75.484 105.865 -20.238  1.00 10.69     0.180 A 
-ATOM   9584  NE2 HIS E 146      75.451 104.546 -20.233  1.00 10.69    -0.360 N 
-ATOM   9585  HE2 HIS E 146      74.636 103.973 -20.452  1.00  0.00     0.166 HD
-ATOM   9586  N   SER E 147      79.217 107.969 -18.447  1.00 11.80    -0.344 N 
-ATOM   9587  HN  SER E 147      79.668 107.607 -19.287  1.00  0.00     0.163 HD
-ATOM   9588  CA  SER E 147      79.153 109.417 -18.240  1.00 12.25     0.200 C 
-ATOM   9589  C   SER E 147      77.726 109.984 -18.330  1.00 12.17     0.243 C 
-ATOM   9590  O   SER E 147      77.436 111.033 -17.763  1.00 12.73    -0.271 OA
-ATOM   9591  CB  SER E 147      80.142 110.174 -19.153  1.00 12.29     0.199 C 
-ATOM   9592  OG  SER E 147      79.513 110.588 -20.358  1.00 13.94    -0.398 OA
-ATOM   9593  HG  SER E 147      80.121 111.054 -20.920  1.00  0.00     0.209 HD
-ATOM   9594  N   ARG E 148      76.817 109.283 -18.989  1.00 12.46    -0.346 N 
-ATOM   9595  HN  ARG E 148      77.082 108.437 -19.493  1.00  0.00     0.163 HD
-ATOM   9596  CA  ARG E 148      75.422 109.740 -18.985  1.00 12.76     0.176 C 
-ATOM   9597  C   ARG E 148      74.667 109.336 -17.729  1.00 12.64     0.241 C 
-ATOM   9598  O   ARG E 148      73.525 109.749 -17.533  1.00 12.95    -0.271 OA
-ATOM   9599  CB  ARG E 148      74.675 109.300 -20.256  1.00 13.49     0.036 C 
-ATOM   9600  CG  ARG E 148      75.242 109.874 -21.594  1.00 13.43     0.023 C 
-ATOM   9601  CD  ARG E 148      74.499 109.395 -22.855  1.00 18.20     0.138 C 
-ATOM   9602  NE  ARG E 148      74.398 107.927 -23.012  1.00 21.34    -0.227 N 
-ATOM   9603  HE  ARG E 148      75.255 107.421 -23.234  1.00  0.00     0.177 HD
-ATOM   9604  CZ  ARG E 148      73.261 107.197 -22.885  1.00 24.53     0.665 C 
-ATOM   9605  NH1 ARG E 148      72.092 107.771 -22.573  1.00 23.05    -0.235 N 
-ATOM   9606 1HH1 ARG E 148      72.068 108.782 -22.440  1.00  0.00     0.174 HD
-ATOM   9607 2HH1 ARG E 148      71.237 107.222 -22.478  1.00  0.00     0.174 HD
-ATOM   9608  NH2 ARG E 148      73.293 105.872 -23.059  1.00 22.91    -0.235 N 
-ATOM   9609 1HH2 ARG E 148      74.183 105.435 -23.297  1.00  0.00     0.174 HD
-ATOM   9610 2HH2 ARG E 148      72.438 105.323 -22.964  1.00  0.00     0.174 HD
-ATOM   9611  N   GLU E 149      75.315 108.588 -16.841  1.00 12.56    -0.346 N 
-ATOM   9612  HN  GLU E 149      76.289 108.337 -17.008  1.00  0.00     0.163 HD
-ATOM   9613  CA  GLU E 149      74.642 108.118 -15.620  1.00 12.30     0.177 C 
-ATOM   9614  C   GLU E 149      75.321 108.642 -14.338  1.00 12.62     0.241 C 
-ATOM   9615  O   GLU E 149      74.643 109.004 -13.357  1.00 12.08    -0.271 OA
-ATOM   9616  CB  GLU E 149      74.593 106.591 -15.673  1.00 11.71     0.045 C 
-ATOM   9617  CG  GLU E 149      73.743 106.017 -16.809  1.00  9.57     0.116 C 
-ATOM   9618  CD  GLU E 149      73.624 104.475 -16.797  1.00 11.44     0.172 C 
-ATOM   9619  OE1 GLU E 149      74.095 103.855 -15.829  1.00 11.04    -0.648 OA
-ATOM   9620  OE2 GLU E 149      73.016 103.856 -17.738  1.00  8.28    -0.648 OA
-ATOM   9621  N   ILE E 150      76.659 108.674 -14.350  1.00 12.44    -0.346 N 
-ATOM   9622  HN  ILE E 150      77.157 108.271 -15.144  1.00  0.00     0.163 HD
-ATOM   9623  CA  ILE E 150      77.427 109.269 -13.259  1.00 13.12     0.180 C 
-ATOM   9624  C   ILE E 150      78.537 110.174 -13.813  1.00 14.76     0.241 C 
-ATOM   9625  O   ILE E 150      79.344 109.756 -14.645  1.00 14.82    -0.271 OA
-ATOM   9626  CB  ILE E 150      78.003 108.190 -12.299  1.00 11.43     0.013 C 
-ATOM   9627  CG1 ILE E 150      76.881 107.502 -11.491  1.00  9.72     0.002 C 
-ATOM   9628  CG2 ILE E 150      79.058 108.775 -11.414  1.00 10.72     0.012 C 
-ATOM   9629  CD1 ILE E 150      77.384 106.465 -10.338  1.00  6.18     0.005 C 
-ATOM   9630  N   SER E 151      78.566 111.422 -13.348  1.00 15.77    -0.344 N 
-ATOM   9631  HN  SER E 151      77.763 111.787 -12.836  1.00  0.00     0.163 HD
-ATOM   9632  CA  SER E 151      79.731 112.273 -13.562  1.00 17.78     0.200 C 
-ATOM   9633  C   SER E 151      80.512 112.407 -12.266  1.00 18.99     0.243 C 
-ATOM   9634  O   SER E 151      79.917 112.540 -11.205  1.00 19.15    -0.271 OA
-ATOM   9635  CB  SER E 151      79.280 113.653 -14.042  1.00 17.94     0.199 C 
-ATOM   9636  OG  SER E 151      78.631 114.312 -12.968  1.00 18.55    -0.398 OA
-ATOM   9637  HG  SER E 151      78.351 115.169 -13.266  1.00  0.00     0.209 HD
-ATOM   9638  N   VAL E 152      81.833 112.326 -12.328  1.00 20.67    -0.346 N 
-ATOM   9639  HN  VAL E 152      82.287 112.140 -13.222  1.00  0.00     0.163 HD
-ATOM   9640  CA  VAL E 152      82.646 112.501 -11.125  1.00 23.01     0.180 C 
-ATOM   9641  C   VAL E 152      83.474 113.768 -11.266  1.00 24.85     0.241 C 
-ATOM   9642  O   VAL E 152      84.136 113.973 -12.289  1.00 24.62    -0.271 OA
-ATOM   9643  CB  VAL E 152      83.505 111.253 -10.772  1.00 23.58     0.009 C 
-ATOM   9644  CG1 VAL E 152      82.615 110.083 -10.361  1.00 24.65     0.012 C 
-ATOM   9645  CG2 VAL E 152      84.348 110.816 -11.926  1.00 25.15     0.012 C 
-ATOM   9646  N   ASP E 153      83.361 114.649 -10.273  1.00 28.23    -0.345 N 
-ATOM   9647  HN  ASP E 153      82.763 114.412  -9.481  1.00  0.00     0.163 HD
-ATOM   9648  CA  ASP E 153      84.054 115.946 -10.260  1.00 30.64     0.186 C 
-ATOM   9649  C   ASP E 153      84.841 116.106  -8.958  1.00 32.44     0.243 C 
-ATOM   9650  O   ASP E 153      84.379 115.731  -7.878  1.00 31.75    -0.271 OA
-ATOM   9651  CB  ASP E 153      83.059 117.111 -10.401  1.00 30.97     0.147 C 
-ATOM   9652  CG  ASP E 153      82.713 117.450 -11.882  1.00 33.36     0.175 C 
-ATOM   9653  OD1 ASP E 153      81.708 116.910 -12.403  1.00 35.80    -0.648 OA
-ATOM   9654  OD2 ASP E 153      83.352 118.271 -12.596  1.00 35.69    -0.648 OA
-ATOM   9655  N   PRO E 154      86.045 116.651  -9.046  1.00 34.76    -0.337 N 
-ATOM   9656  CA  PRO E 154      86.736 117.075  -7.834  1.00 36.70     0.179 C 
-ATOM   9657  C   PRO E 154      86.143 118.390  -7.345  1.00 39.30     0.241 C 
-ATOM   9658  O   PRO E 154      86.285 119.422  -8.027  1.00 39.97    -0.271 OA
-ATOM   9659  CB  PRO E 154      88.179 117.258  -8.299  1.00 36.63     0.037 C 
-ATOM   9660  CG  PRO E 154      88.083 117.573  -9.768  1.00 35.99     0.022 C 
-ATOM   9661  CD  PRO E 154      86.842 116.890 -10.267  1.00 35.06     0.127 C 
-ATOM   9662  N   THR E 155      85.435 118.354  -6.217  1.00 41.98    -0.344 N 
-ATOM   9663  HN  THR E 155      85.024 117.476  -5.900  1.00  0.00     0.163 HD
-ATOM   9664  CA  THR E 155      85.245 119.584  -5.426  1.00 44.78     0.205 C 
-ATOM   9665  C   THR E 155      86.016 119.456  -4.115  1.00 46.22     0.243 C 
-ATOM   9666  O   THR E 155      85.619 118.695  -3.200  1.00 46.40    -0.271 OA
-ATOM   9667  CB  THR E 155      83.741 119.991  -5.198  1.00 45.17     0.146 C 
-ATOM   9668  CG2 THR E 155      83.552 121.520  -5.465  1.00 45.02     0.042 C 
-ATOM   9669  OG1 THR E 155      82.884 119.359  -6.170  1.00 45.66    -0.393 OA
-ATOM   9670  HG1 THR E 155      81.977 119.605  -6.032  1.00  0.00     0.210 HD
-ATOM   9671  N   THR E 156      87.148 120.169  -4.079  1.00 48.02    -0.344 N 
-ATOM   9672  HN  THR E 156      87.395 120.700  -4.914  1.00  0.00     0.163 HD
-ATOM   9673  CA  THR E 156      88.070 120.249  -2.925  1.00 49.33     0.205 C 
-ATOM   9674  C   THR E 156      87.763 121.474  -2.021  1.00 50.20     0.243 C 
-ATOM   9675  O   THR E 156      88.205 121.535  -0.850  1.00 50.61    -0.271 OA
-ATOM   9676  CB  THR E 156      89.572 120.194  -3.433  1.00 49.37     0.146 C 
-ATOM   9677  CG2 THR E 156      90.533 121.111  -2.640  1.00 49.05     0.042 C 
-ATOM   9678  OG1 THR E 156      90.104 118.868  -3.243  1.00 49.99    -0.393 OA
-ATOM   9679  HG1 THR E 156      89.514 118.305  -3.730  1.00  0.00     0.210 HD
-ATOM   9680  N   GLU E 157      86.986 122.419  -2.575  1.00 50.70    -0.346 N 
-ATOM   9681  HN  GLU E 157      86.684 122.277  -3.539  1.00  0.00     0.163 HD
-ATOM   9682  CA  GLU E 157      86.538 123.644  -1.894  1.00 50.95     0.177 C 
-ATOM   9683  C   GLU E 157      87.704 124.552  -1.457  1.00 50.88     0.241 C 
-ATOM   9684  O   GLU E 157      87.490 125.617  -0.850  1.00 50.92    -0.271 OA
-ATOM   9685  CB  GLU E 157      85.586 123.320  -0.726  1.00 51.26     0.045 C 
-ATOM   9686  CG  GLU E 157      84.255 122.689  -1.147  1.00 52.41     0.116 C 
-ATOM   9687  CD  GLU E 157      83.274 122.498   0.015  1.00 54.08     0.172 C 
-ATOM   9688  OE1 GLU E 157      82.675 123.503   0.474  1.00 55.21    -0.648 OA
-ATOM   9689  OE2 GLU E 157      83.090 121.341   0.465  1.00 53.97    -0.648 OA
-ATOM   9690  N   ASN E 158      88.925 124.133  -1.813  1.00 50.44    -0.346 N 
-ATOM   9691  HN  ASN E 158      88.991 123.300  -2.398  1.00  0.00     0.163 HD
-ATOM   9692  CA  ASN E 158      90.172 124.793  -1.417  1.00 49.78     0.185 C 
-ATOM   9693  C   ASN E 158      90.429 124.748   0.109  1.00 49.42     0.241 C 
-ATOM   9694  O   ASN E 158      90.415 125.777   0.806  1.00 49.41    -0.271 OA
-ATOM   9695  CB  ASN E 158      90.263 126.213  -2.006  1.00 49.86     0.137 C 
-ATOM   9696  CG  ASN E 158      91.268 127.096  -1.279  1.00 49.71     0.217 C 
-ATOM   9697  ND2 ASN E 158      90.759 128.034  -0.489  1.00 49.74    -0.370 N 
-ATOM   9698 1HD2 ASN E 158      91.432 128.626  -0.002  1.00  0.00     0.159 HD
-ATOM   9699 2HD2 ASN E 158      89.754 128.167  -0.374  1.00  0.00     0.159 HD
-ATOM   9700  OD1 ASN E 158      92.484 126.935  -1.418  1.00 49.51    -0.274 OA
-ATOM   9701  N   SER E 159      90.646 123.533   0.617  1.00 48.59    -0.344 N 
-ATOM   9702  HN  SER E 159      90.483 122.715   0.029  1.00  0.00     0.163 HD
-ATOM   9703  CA  SER E 159      91.112 123.337   1.994  1.00 47.87     0.200 C 
-ATOM   9704  C   SER E 159      92.492 122.648   2.017  1.00 46.94     0.243 C 
-ATOM   9705  O   SER E 159      92.676 121.596   1.383  1.00 46.75    -0.271 OA
-ATOM   9706  CB  SER E 159      90.080 122.579   2.852  1.00 48.13     0.199 C 
-ATOM   9707  OG  SER E 159      89.034 121.985   2.086  1.00 49.27    -0.398 OA
-ATOM   9708  HG  SER E 159      88.398 121.518   2.615  1.00  0.00     0.209 HD
-ATOM   9709  N   ASP E 160      93.441 123.276   2.735  1.00 45.73    -0.345 N 
-ATOM   9710  HN  ASP E 160      93.157 124.118   3.236  1.00  0.00     0.163 HD
-ATOM   9711  CA  ASP E 160      94.867 122.862   2.871  1.00 44.09     0.186 C 
-ATOM   9712  C   ASP E 160      95.162 121.349   2.747  1.00 42.35     0.241 C 
-ATOM   9713  O   ASP E 160      94.389 120.522   3.245  1.00 42.24    -0.271 OA
-ATOM   9714  CB  ASP E 160      95.438 123.404   4.198  1.00 44.57     0.147 C 
-ATOM   9715  CG  ASP E 160      96.873 123.925   4.075  1.00 44.86     0.175 C 
-ATOM   9716  OD1 ASP E 160      97.398 124.045   2.942  1.00 45.84    -0.648 OA
-ATOM   9717  OD2 ASP E 160      97.555 124.248   5.075  1.00 45.44    -0.648 OA
-ATOM   9718  N   ASP E 161      96.288 121.019   2.098  1.00 40.24    -0.345 N 
-ATOM   9719  HN  ASP E 161      96.951 121.764   1.884  1.00  0.00     0.163 HD
-ATOM   9720  CA  ASP E 161      96.633 119.640   1.670  1.00 38.25     0.186 C 
-ATOM   9721  C   ASP E 161      97.027 118.697   2.809  1.00 36.91     0.241 C 
-ATOM   9722  O   ASP E 161      96.464 117.604   2.967  1.00 36.21    -0.271 OA
-ATOM   9723  CB  ASP E 161      97.784 119.660   0.653  1.00 38.11     0.147 C 
-ATOM   9724  CG  ASP E 161      97.422 120.356  -0.633  1.00 37.84     0.175 C 
-ATOM   9725  OD1 ASP E 161      96.221 120.390  -0.983  1.00 34.80    -0.648 OA
-ATOM   9726  OD2 ASP E 161      98.283 120.910  -1.355  1.00 39.64    -0.648 OA
-ATOM   9727  N   SER E 162      98.030 119.135   3.565  1.00 35.33    -0.344 N 
-ATOM   9728  HN  SER E 162      98.507 119.989   3.276  1.00  0.00     0.163 HD
-ATOM   9729  CA  SER E 162      98.491 118.474   4.779  1.00 33.47     0.200 C 
-ATOM   9730  C   SER E 162      97.536 118.750   5.960  1.00 32.26     0.243 C 
-ATOM   9731  O   SER E 162      97.937 118.588   7.122  1.00 32.18    -0.271 OA
-ATOM   9732  CB  SER E 162      99.901 118.991   5.132  1.00 33.09     0.199 C 
-ATOM   9733  OG  SER E 162     100.928 118.254   4.493  1.00 32.04    -0.398 OA
-ATOM   9734  HG  SER E 162     101.796 118.572   4.710  1.00  0.00     0.209 HD
-ATOM   9735  N   GLU E 163      96.299 119.180   5.690  1.00 30.22    -0.346 N 
-ATOM   9736  HN  GLU E 163      95.940 119.147   4.736  1.00  0.00     0.163 HD
-ATOM   9737  CA  GLU E 163      95.461 119.701   6.779  1.00 28.78     0.177 C 
-ATOM   9738  C   GLU E 163      95.236 118.665   7.897  1.00 27.41     0.241 C 
-ATOM   9739  O   GLU E 163      95.553 118.939   9.062  1.00 27.48    -0.271 OA
-ATOM   9740  CB  GLU E 163      94.153 120.335   6.263  1.00 28.98     0.045 C 
-ATOM   9741  CG  GLU E 163      93.000 120.396   7.268  1.00 30.17     0.116 C 
-ATOM   9742  CD  GLU E 163      92.920 121.689   8.070  1.00 32.77     0.172 C 
-ATOM   9743  OE1 GLU E 163      93.977 122.221   8.486  1.00 33.96    -0.648 OA
-ATOM   9744  OE2 GLU E 163      91.784 122.169   8.305  1.00 33.08    -0.648 OA
-ATOM   9745  N   TYR E 164      94.743 117.479   7.528  1.00 25.07    -0.346 N 
-ATOM   9746  HN  TYR E 164      94.546 117.312   6.541  1.00  0.00     0.163 HD
-ATOM   9747  CA  TYR E 164      94.477 116.415   8.489  1.00 23.81     0.180 C 
-ATOM   9748  C   TYR E 164      95.494 115.275   8.431  1.00 22.86     0.241 C 
-ATOM   9749  O   TYR E 164      95.301 114.215   9.025  1.00 23.01    -0.271 OA
-ATOM   9750  CB  TYR E 164      93.062 115.858   8.289  1.00 23.65     0.073 C 
-ATOM   9751  CG  TYR E 164      92.003 116.905   8.429  1.00 22.67    -0.056 A 
-ATOM   9752  CD1 TYR E 164      91.847 117.590   9.619  1.00 23.85     0.010 A 
-ATOM   9753  CD2 TYR E 164      91.168 117.223   7.364  1.00 24.04     0.010 A 
-ATOM   9754  CE1 TYR E 164      90.911 118.571   9.755  1.00 24.24     0.037 A 
-ATOM   9755  CE2 TYR E 164      90.207 118.207   7.489  1.00 22.63     0.037 A 
-ATOM   9756  CZ  TYR E 164      90.088 118.875   8.688  1.00 25.03     0.065 A 
-ATOM   9757  OH  TYR E 164      89.146 119.865   8.846  1.00 28.27    -0.361 OA
-ATOM   9758  HH  TYR E 164      89.064 120.326   9.673  1.00  0.00     0.217 HD
-ATOM   9759  N   PHE E 165      96.575 115.481   7.703  1.00 21.69    -0.346 N 
-ATOM   9760  HN  PHE E 165      96.676 116.356   7.189  1.00  0.00     0.163 HD
-ATOM   9761  CA  PHE E 165      97.624 114.477   7.623  1.00 19.91     0.180 C 
-ATOM   9762  C   PHE E 165      98.395 114.366   8.942  1.00 19.24     0.241 C 
-ATOM   9763  O   PHE E 165      98.708 115.364   9.572  1.00 18.31    -0.271 OA
-ATOM   9764  CB  PHE E 165      98.561 114.813   6.474  1.00 19.52     0.073 C 
-ATOM   9765  CG  PHE E 165      99.488 113.711   6.127  1.00 18.69    -0.056 A 
-ATOM   9766  CD1 PHE E 165      99.024 112.578   5.457  1.00 17.46     0.007 A 
-ATOM   9767  CD2 PHE E 165     100.835 113.791   6.481  1.00 17.53     0.007 A 
-ATOM   9768  CE1 PHE E 165      99.889 111.553   5.132  1.00 17.98     0.001 A 
-ATOM   9769  CE2 PHE E 165     101.706 112.764   6.170  1.00 17.60     0.001 A 
-ATOM   9770  CZ  PHE E 165     101.225 111.630   5.503  1.00 17.55     0.000 A 
-ATOM   9771  N   SER E 166      98.695 113.139   9.352  1.00 18.37    -0.344 N 
-ATOM   9772  HN  SER E 166      98.460 112.342   8.760  1.00  0.00     0.163 HD
-ATOM   9773  CA  SER E 166      99.355 112.909  10.634  1.00 17.52     0.200 C 
-ATOM   9774  C   SER E 166     100.740 113.562  10.734  1.00 17.06     0.243 C 
-ATOM   9775  O   SER E 166     101.587 113.369   9.878  1.00 16.22    -0.271 OA
-ATOM   9776  CB  SER E 166      99.475 111.412  10.906  1.00 17.36     0.199 C 
-ATOM   9777  OG  SER E 166     100.208 111.180  12.095  1.00 16.97    -0.398 OA
-ATOM   9778  HG  SER E 166     100.283 110.248  12.264  1.00  0.00     0.209 HD
-ATOM   9779  N   GLN E 167     100.965 114.319  11.793  1.00 17.02    -0.346 N 
-ATOM   9780  HN  GLN E 167     100.197 114.518  12.434  1.00  0.00     0.163 HD
-ATOM   9781  CA  GLN E 167     102.283 114.877  12.069  1.00 17.76     0.177 C 
-ATOM   9782  C   GLN E 167     103.287 113.801  12.493  1.00 17.51     0.241 C 
-ATOM   9783  O   GLN E 167     104.466 114.083  12.618  1.00 17.18    -0.271 OA
-ATOM   9784  CB  GLN E 167     102.198 115.960  13.156  1.00 18.15     0.044 C 
-ATOM   9785  CG  GLN E 167     101.853 115.401  14.532  1.00 19.75     0.105 C 
-ATOM   9786  CD  GLN E 167     101.556 116.467  15.568  1.00 22.62     0.215 C 
-ATOM   9787  NE2 GLN E 167     100.269 116.605  15.929  1.00 22.08    -0.370 N 
-ATOM   9788 1HE2 GLN E 167     100.069 117.322  16.626  1.00  0.00     0.159 HD
-ATOM   9789 2HE2 GLN E 167      99.514 116.053  15.523  1.00  0.00     0.159 HD
-ATOM   9790  OE1 GLN E 167     102.484 117.145  16.067  1.00 22.78    -0.274 OA
-ATOM   9791  N   TYR E 168     102.821 112.568  12.698  1.00 17.61    -0.346 N 
-ATOM   9792  HN  TYR E 168     101.839 112.372  12.505  1.00  0.00     0.163 HD
-ATOM   9793  CA  TYR E 168     103.682 111.481  13.194  1.00 17.26     0.180 C 
-ATOM   9794  C   TYR E 168     104.122 110.524  12.089  1.00 17.03     0.241 C 
-ATOM   9795  O   TYR E 168     105.013 109.696  12.279  1.00 17.28    -0.271 OA
-ATOM   9796  CB  TYR E 168     102.992 110.745  14.345  1.00 17.37     0.073 C 
-ATOM   9797  CG  TYR E 168     102.661 111.676  15.500  1.00 17.24    -0.056 A 
-ATOM   9798  CD1 TYR E 168     103.659 112.382  16.140  1.00 16.92     0.010 A 
-ATOM   9799  CD2 TYR E 168     101.343 111.859  15.926  1.00 17.29     0.010 A 
-ATOM   9800  CE1 TYR E 168     103.378 113.238  17.187  1.00 18.10     0.037 A 
-ATOM   9801  CE2 TYR E 168     101.042 112.729  16.983  1.00 16.80     0.037 A 
-ATOM   9802  CZ  TYR E 168     102.073 113.412  17.605  1.00 17.72     0.065 A 
-ATOM   9803  OH  TYR E 168     101.832 114.266  18.644  1.00 19.03    -0.361 OA
-ATOM   9804  HH  TYR E 168     102.540 114.735  19.071  1.00  0.00     0.217 HD
-ATOM   9805  N   SER E 169     103.518 110.668  10.925  1.00 16.14    -0.344 N 
-ATOM   9806  HN  SER E 169     102.703 111.278  10.861  1.00  0.00     0.163 HD
-ATOM   9807  CA  SER E 169     103.979 109.985   9.741  1.00 16.01     0.200 C 
-ATOM   9808  C   SER E 169     105.464 110.218   9.459  1.00 16.20     0.243 C 
-ATOM   9809  O   SER E 169     106.072 111.223   9.847  1.00 15.42    -0.271 OA
-ATOM   9810  CB  SER E 169     103.142 110.398   8.526  1.00 15.90     0.199 C 
-ATOM   9811  OG  SER E 169     103.453 109.621   7.388  1.00 15.81    -0.398 OA
-ATOM   9812  HG  SER E 169     102.934 109.877   6.635  1.00  0.00     0.209 HD
-ATOM   9813  N   ARG E 170     106.034 109.245   8.767  1.00 16.55    -0.346 N 
-ATOM   9814  HN  ARG E 170     105.472 108.430   8.523  1.00  0.00     0.163 HD
-ATOM   9815  CA  ARG E 170     107.410 109.281   8.341  1.00 16.75     0.176 C 
-ATOM   9816  C   ARG E 170     107.515 110.125   7.088  1.00 16.07     0.241 C 
-ATOM   9817  O   ARG E 170     108.618 110.509   6.681  1.00 15.70    -0.271 OA
-ATOM   9818  CB  ARG E 170     107.837 107.867   7.973  1.00 17.33     0.036 C 
-ATOM   9819  CG  ARG E 170     108.802 107.213   8.946  1.00 20.32     0.023 C 
-ATOM   9820  CD  ARG E 170     109.255 105.841   8.456  1.00 23.85     0.138 C 
-ATOM   9821  NE  ARG E 170     108.111 105.085   7.933  1.00 26.60    -0.227 N 
-ATOM   9822  HE  ARG E 170     107.176 105.429   8.153  1.00  0.00     0.177 HD
-ATOM   9823  CZ  ARG E 170     108.204 103.976   7.188  1.00 27.62     0.665 C 
-ATOM   9824  NH1 ARG E 170     109.405 103.486   6.890  1.00 25.30    -0.235 N 
-ATOM   9825 1HH1 ARG E 170     109.476 102.641   6.323  1.00  0.00     0.174 HD
-ATOM   9826 2HH1 ARG E 170     110.248 103.955   7.220  1.00  0.00     0.174 HD
-ATOM   9827  NH2 ARG E 170     107.092 103.357   6.753  1.00 25.09    -0.235 N 
-ATOM   9828 1HH2 ARG E 170     107.163 102.512   6.186  1.00  0.00     0.174 HD
-ATOM   9829 2HH2 ARG E 170     106.172 103.733   6.981  1.00  0.00     0.174 HD
-ATOM   9830  N   PHE E 171     106.374 110.373   6.458  1.00 14.77    -0.346 N 
-ATOM   9831  HN  PHE E 171     105.502 110.064   6.888  1.00  0.00     0.163 HD
-ATOM   9832  CA  PHE E 171     106.313 111.063   5.188  1.00 14.63     0.180 C 
-ATOM   9833  C   PHE E 171     105.618 112.416   5.398  1.00 15.09     0.241 C 
-ATOM   9834  O   PHE E 171     104.979 112.630   6.430  1.00 14.74    -0.271 OA
-ATOM   9835  CB  PHE E 171     105.623 110.172   4.129  1.00 13.98     0.073 C 
-ATOM   9836  CG  PHE E 171     106.148 108.733   4.103  1.00 13.13    -0.056 A 
-ATOM   9837  CD1 PHE E 171     105.641 107.774   4.966  1.00 12.04     0.007 A 
-ATOM   9838  CD2 PHE E 171     107.177 108.370   3.260  1.00 13.92     0.007 A 
-ATOM   9839  CE1 PHE E 171     106.137 106.470   4.982  1.00 12.77     0.001 A 
-ATOM   9840  CE2 PHE E 171     107.692 107.055   3.261  1.00 14.51     0.001 A 
-ATOM   9841  CZ  PHE E 171     107.178 106.106   4.133  1.00 13.71     0.000 A 
-ATOM   9842  N   GLU E 172     105.793 113.339   4.450  1.00 15.93    -0.346 N 
-ATOM   9843  HN  GLU E 172     106.436 113.140   3.684  1.00  0.00     0.163 HD
-ATOM   9844  CA  GLU E 172     105.097 114.625   4.469  1.00 17.06     0.177 C 
-ATOM   9845  C   GLU E 172     104.519 114.862   3.093  1.00 17.19     0.241 C 
-ATOM   9846  O   GLU E 172     105.081 114.415   2.099  1.00 17.39    -0.271 OA
-ATOM   9847  CB  GLU E 172     106.024 115.785   4.890  1.00 17.05     0.045 C 
-ATOM   9848  CG  GLU E 172     107.268 115.961   4.026  1.00 19.06     0.116 C 
-ATOM   9849  CD  GLU E 172     108.222 117.063   4.515  1.00 22.53     0.172 C 
-ATOM   9850  OE1 GLU E 172     107.782 117.955   5.268  1.00 24.91    -0.648 OA
-ATOM   9851  OE2 GLU E 172     109.413 117.044   4.134  1.00 22.72    -0.648 OA
-ATOM   9852  N   ILE E 173     103.397 115.561   3.043  1.00 17.57    -0.346 N 
-ATOM   9853  HN  ILE E 173     102.986 115.907   3.910  1.00  0.00     0.163 HD
-ATOM   9854  CA  ILE E 173     102.736 115.848   1.782  1.00 18.20     0.180 C 
-ATOM   9855  C   ILE E 173     103.177 117.206   1.262  1.00 18.67     0.241 C 
-ATOM   9856  O   ILE E 173     103.127 118.211   1.987  1.00 18.60    -0.271 OA
-ATOM   9857  CB  ILE E 173     101.215 115.788   1.961  1.00 18.38     0.013 C 
-ATOM   9858  CG1 ILE E 173     100.793 114.344   2.243  1.00 18.68     0.002 C 
-ATOM   9859  CG2 ILE E 173     100.514 116.315   0.717  1.00 18.59     0.012 C 
-ATOM   9860  CD1 ILE E 173      99.342 114.197   2.505  1.00 20.56     0.005 C 
-ATOM   9861  N   LEU E 174     103.643 117.223   0.014  1.00 18.97    -0.346 N 
-ATOM   9862  HN  LEU E 174     103.703 116.348  -0.507  1.00  0.00     0.163 HD
-ATOM   9863  CA  LEU E 174     104.067 118.456  -0.621  1.00 19.39     0.177 C 
-ATOM   9864  C   LEU E 174     102.903 119.143  -1.332  1.00 19.85     0.241 C 
-ATOM   9865  O   LEU E 174     102.763 120.364  -1.273  1.00 19.84    -0.271 OA
-ATOM   9866  CB  LEU E 174     105.220 118.173  -1.574  1.00 19.13     0.038 C 
-ATOM   9867  CG  LEU E 174     106.449 117.507  -0.937  1.00 19.44    -0.020 C 
-ATOM   9868  CD1 LEU E 174     107.475 117.148  -1.988  1.00 19.58     0.009 C 
-ATOM   9869  CD2 LEU E 174     107.084 118.382   0.130  1.00 18.98     0.009 C 
-ATOM   9870  N   ASP E 175     102.060 118.345  -1.972  1.00 20.03    -0.346 N 
-ATOM   9871  HN  ASP E 175     102.172 117.336  -1.877  1.00  0.00     0.163 HD
-ATOM   9872  CA  ASP E 175     100.981 118.852  -2.805  1.00 21.15     0.186 C 
-ATOM   9873  C   ASP E 175      99.989 117.751  -3.182  1.00 21.13     0.241 C 
-ATOM   9874  O   ASP E 175     100.370 116.590  -3.359  1.00 20.62    -0.271 OA
-ATOM   9875  CB  ASP E 175     101.545 119.461  -4.094  1.00 21.92     0.147 C 
-ATOM   9876  CG  ASP E 175     100.709 120.623  -4.619  1.00 24.34     0.175 C 
-ATOM   9877  OD1 ASP E 175      99.563 120.854  -4.135  1.00 26.24    -0.648 OA
-ATOM   9878  OD2 ASP E 175     101.123 121.345  -5.544  1.00 27.67    -0.648 OA
-ATOM   9879  N   VAL E 176      98.724 118.143  -3.300  1.00 21.48    -0.346 N 
-ATOM   9880  HN  VAL E 176      98.478 119.092  -3.018  1.00  0.00     0.163 HD
-ATOM   9881  CA  VAL E 176      97.671 117.272  -3.817  1.00 22.16     0.180 C 
-ATOM   9882  C   VAL E 176      96.949 118.026  -4.939  1.00 22.83     0.241 C 
-ATOM   9883  O   VAL E 176      96.450 119.133  -4.723  1.00 22.90    -0.271 OA
-ATOM   9884  CB  VAL E 176      96.675 116.843  -2.711  1.00 21.80     0.009 C 
-ATOM   9885  CG1 VAL E 176      95.657 115.847  -3.251  1.00 21.30     0.012 C 
-ATOM   9886  CG2 VAL E 176      97.407 116.286  -1.505  1.00 21.10     0.012 C 
-ATOM   9887  N   THR E 177      96.944 117.453  -6.142  1.00 23.39    -0.344 N 
-ATOM   9888  HN  THR E 177      97.507 116.616  -6.296  1.00  0.00     0.163 HD
-ATOM   9889  CA  THR E 177      96.150 117.995  -7.250  1.00 24.04     0.205 C 
-ATOM   9890  C   THR E 177      95.168 116.969  -7.831  1.00 23.91     0.243 C 
-ATOM   9891  O   THR E 177      95.348 115.770  -7.650  1.00 23.58    -0.271 OA
-ATOM   9892  CB  THR E 177      97.038 118.543  -8.389  1.00 24.18     0.146 C 
-ATOM   9893  CG2 THR E 177      97.957 119.694  -7.910  1.00 24.87     0.042 C 
-ATOM   9894  OG1 THR E 177      97.948 117.530  -8.834  1.00 25.27    -0.393 OA
-ATOM   9895  HG1 THR E 177      97.384 116.824  -9.128  1.00  0.00     0.210 HD
-ATOM   9896  N   GLN E 178      94.155 117.457  -8.552  1.00 24.06    -0.346 N 
-ATOM   9897  HN  GLN E 178      94.054 118.469  -8.632  1.00  0.00     0.163 HD
-ATOM   9898  CA  GLN E 178      93.184 116.597  -9.232  1.00 24.84     0.177 C 
-ATOM   9899  C   GLN E 178      92.959 116.942 -10.716  1.00 24.77     0.241 C 
-ATOM   9900  O   GLN E 178      93.122 118.097 -11.128  1.00 24.44    -0.271 OA
-ATOM   9901  CB  GLN E 178      91.848 116.566  -8.497  1.00 25.51     0.044 C 
-ATOM   9902  CG  GLN E 178      91.712 117.495  -7.292  1.00 28.07     0.105 C 
-ATOM   9903  CD  GLN E 178      91.648 116.728  -5.962  1.00 31.07     0.215 C 
-ATOM   9904  NE2 GLN E 178      92.725 116.849  -5.188  1.00 31.42    -0.370 N 
-ATOM   9905 1HE2 GLN E 178      92.683 116.340  -4.305  1.00  0.00     0.159 HD
-ATOM   9906 2HE2 GLN E 178      93.540 117.402  -5.454  1.00  0.00     0.159 HD
-ATOM   9907  OE1 GLN E 178      90.634 116.039  -5.631  1.00 31.74    -0.274 OA
-ATOM   9908  N   LYS E 179      92.618 115.917 -11.507  1.00 24.28    -0.346 N 
-ATOM   9909  HN  LYS E 179      92.582 114.988 -11.088  1.00  0.00     0.163 HD
-ATOM   9910  CA  LYS E 179      92.291 116.034 -12.940  1.00 23.77     0.176 C 
-ATOM   9911  C   LYS E 179      91.055 115.166 -13.225  1.00 23.44     0.241 C 
-ATOM   9912  O   LYS E 179      90.990 114.017 -12.816  1.00 23.25    -0.271 OA
-ATOM   9913  CB  LYS E 179      93.464 115.581 -13.831  1.00 23.78     0.035 C 
-ATOM   9914  CG  LYS E 179      93.239 115.775 -15.368  1.00 25.57     0.004 C 
-ATOM   9915  CD  LYS E 179      94.344 115.146 -16.261  1.00 26.72     0.027 C 
-ATOM   9916  CE  LYS E 179      94.838 116.105 -17.375  1.00 28.79     0.229 C 
-ATOM   9917  NZ  LYS E 179      93.812 116.504 -18.402  1.00 28.31    -0.079 N 
-ATOM   9918  HZ1 LYS E 179      94.137 117.135 -19.135  1.00  0.00     0.274 HD
-ATOM   9919  HZ2 LYS E 179      92.995 116.902 -17.939  1.00  0.00     0.274 HD
-ATOM   9920  HZ3 LYS E 179      93.398 115.671 -18.820  1.00  0.00     0.274 HD
-ATOM   9921  N   LYS E 180      90.071 115.739 -13.910  1.00 22.67    -0.346 N 
-ATOM   9922  HN  LYS E 180      90.143 116.731 -14.135  1.00  0.00     0.163 HD
-ATOM   9923  CA  LYS E 180      88.902 115.010 -14.348  1.00 21.68     0.176 C 
-ATOM   9924  C   LYS E 180      89.255 114.357 -15.660  1.00 21.25     0.241 C 
-ATOM   9925  O   LYS E 180      89.794 115.012 -16.549  1.00 21.37    -0.271 OA
-ATOM   9926  CB  LYS E 180      87.761 115.996 -14.557  1.00 22.13     0.035 C 
-ATOM   9927  CG  LYS E 180      86.399 115.424 -14.399  1.00 21.16     0.004 C 
-ATOM   9928  CD  LYS E 180      85.714 115.366 -15.735  1.00 22.80     0.027 C 
-ATOM   9929  CE  LYS E 180      84.323 115.960 -15.666  1.00 24.75     0.229 C 
-ATOM   9930  NZ  LYS E 180      83.525 115.459 -14.493  1.00 20.69    -0.079 N 
-ATOM   9931  HZ1 LYS E 180      82.588 115.859 -14.447  1.00  0.00     0.274 HD
-ATOM   9932  HZ2 LYS E 180      84.029 115.611 -13.619  1.00  0.00     0.274 HD
-ATOM   9933  HZ3 LYS E 180      83.486 114.440 -14.489  1.00  0.00     0.274 HD
-ATOM   9934  N   ASN E 181      88.981 113.059 -15.784  1.00 20.60    -0.346 N 
-ATOM   9935  HN  ASN E 181      88.630 112.541 -14.978  1.00  0.00     0.163 HD
-ATOM   9936  CA  ASN E 181      89.175 112.366 -17.053  1.00 19.93     0.185 C 
-ATOM   9937  C   ASN E 181      87.899 111.745 -17.585  1.00 19.37     0.241 C 
-ATOM   9938  O   ASN E 181      86.930 111.620 -16.852  1.00 18.56    -0.271 OA
-ATOM   9939  CB  ASN E 181      90.278 111.316 -16.951  1.00 20.09     0.137 C 
-ATOM   9940  CG  ASN E 181      91.572 111.906 -16.501  1.00 20.48     0.217 C 
-ATOM   9941  ND2 ASN E 181      91.928 111.681 -15.232  1.00 19.16    -0.370 N 
-ATOM   9942 1HD2 ASN E 181      92.813 112.084 -14.924  1.00  0.00     0.159 HD
-ATOM   9943 2HD2 ASN E 181      91.376 111.110 -14.593  1.00  0.00     0.159 HD
-ATOM   9944  OD1 ASN E 181      92.237 112.594 -17.271  1.00 21.08    -0.274 OA
-ATOM   9945  N   SER E 182      87.928 111.397 -18.875  1.00 18.97    -0.344 N 
-ATOM   9946  HN  SER E 182      88.777 111.600 -19.403  1.00  0.00     0.163 HD
-ATOM   9947  CA  SER E 182      86.836 110.751 -19.576  1.00 19.13     0.200 C 
-ATOM   9948  C   SER E 182      87.399 109.707 -20.576  1.00 19.47     0.243 C 
-ATOM   9949  O   SER E 182      87.854 110.031 -21.670  1.00 18.81    -0.271 OA
-ATOM   9950  CB  SER E 182      85.935 111.804 -20.245  1.00 19.43     0.199 C 
-ATOM   9951  OG  SER E 182      84.938 111.217 -21.056  1.00 17.93    -0.398 OA
-ATOM   9952  HG  SER E 182      84.382 111.867 -21.469  1.00  0.00     0.209 HD
-ATOM   9953  N   VAL E 183      87.344 108.439 -20.175  1.00 20.06    -0.346 N 
-ATOM   9954  HN  VAL E 183      86.822 108.215 -19.328  1.00  0.00     0.163 HD
-ATOM   9955  CA  VAL E 183      88.004 107.352 -20.904  1.00 20.32     0.180 C 
-ATOM   9956  C   VAL E 183      86.969 106.377 -21.443  1.00 20.26     0.241 C 
-ATOM   9957  O   VAL E 183      86.101 105.923 -20.678  1.00 19.41    -0.271 OA
-ATOM   9958  CB  VAL E 183      89.012 106.559 -19.971  1.00 20.91     0.009 C 
-ATOM   9959  CG1 VAL E 183      89.752 105.446 -20.743  1.00 20.72     0.012 C 
-ATOM   9960  CG2 VAL E 183      90.025 107.506 -19.277  1.00 21.04     0.012 C 
-ATOM   9961  N   THR E 184      87.057 106.085 -22.750  1.00 20.19    -0.344 N 
-ATOM   9962  HN  THR E 184      87.642 106.676 -23.340  1.00  0.00     0.163 HD
-ATOM   9963  CA  THR E 184      86.353 104.957 -23.373  1.00 20.48     0.205 C 
-ATOM   9964  C   THR E 184      87.234 103.685 -23.285  1.00 20.93     0.243 C 
-ATOM   9965  O   THR E 184      88.383 103.696 -23.712  1.00 21.73    -0.271 OA
-ATOM   9966  CB  THR E 184      85.918 105.280 -24.882  1.00 20.50     0.146 C 
-ATOM   9967  CG2 THR E 184      84.726 104.413 -25.338  1.00 18.97     0.042 C 
-ATOM   9968  OG1 THR E 184      85.362 106.595 -24.980  1.00 20.86    -0.393 OA
-ATOM   9969  HG1 THR E 184      85.104 106.786 -25.874  1.00  0.00     0.210 HD
-ATOM   9970  N   TYR E 185      86.704 102.600 -22.717  1.00 21.51    -0.346 N 
-ATOM   9971  HN  TYR E 185      85.757 102.653 -22.341  1.00  0.00     0.163 HD
-ATOM   9972  CA  TYR E 185      87.442 101.325 -22.615  1.00 21.80     0.180 C 
-ATOM   9973  C   TYR E 185      86.989 100.345 -23.698  1.00 23.05     0.241 C 
-ATOM   9974  O   TYR E 185      85.831 100.377 -24.134  1.00 23.24    -0.271 OA
-ATOM   9975  CB  TYR E 185      87.274 100.666 -21.220  1.00 21.72     0.073 C 
-ATOM   9976  CG  TYR E 185      87.682 101.557 -20.068  1.00 18.50    -0.056 A 
-ATOM   9977  CD1 TYR E 185      88.990 101.542 -19.560  1.00 15.67     0.010 A 
-ATOM   9978  CD2 TYR E 185      86.777 102.448 -19.522  1.00 14.56     0.010 A 
-ATOM   9979  CE1 TYR E 185      89.357 102.400 -18.535  1.00 13.80     0.037 A 
-ATOM   9980  CE2 TYR E 185      87.130 103.275 -18.535  1.00 13.24     0.037 A 
-ATOM   9981  CZ  TYR E 185      88.409 103.265 -18.036  1.00 11.55     0.065 A 
-ATOM   9982  OH  TYR E 185      88.688 104.139 -17.018  1.00 15.26    -0.361 OA
-ATOM   9983  HH  TYR E 185      88.034 104.736 -16.674  1.00  0.00     0.217 HD
-ATOM   9984  N   SER E 186      87.887  99.454 -24.099  1.00 23.77    -0.344 N 
-ATOM   9985  HN  SER E 186      88.799  99.439 -23.642  1.00  0.00     0.163 HD
-ATOM   9986  CA  SER E 186      87.625  98.494 -25.167  1.00 24.94     0.200 C 
-ATOM   9987  C   SER E 186      86.357  97.680 -25.017  1.00 25.32     0.243 C 
-ATOM   9988  O   SER E 186      85.748  97.325 -26.019  1.00 26.21    -0.271 OA
-ATOM   9989  CB  SER E 186      88.809  97.543 -25.335  1.00 25.19     0.199 C 
-ATOM   9990  OG  SER E 186      89.717  98.078 -26.278  1.00 26.25    -0.398 OA
-ATOM   9991  HG  SER E 186      90.453  97.487 -26.382  1.00  0.00     0.209 HD
-ATOM   9992  N   CYS E 187      85.970  97.389 -23.781  1.00 25.52    -0.345 N 
-ATOM   9993  HN  CYS E 187      86.495  97.787 -23.002  1.00  0.00     0.163 HD
-ATOM   9994  CA  CYS E 187      84.833  96.530 -23.481  1.00 25.83     0.186 C 
-ATOM   9995  C   CYS E 187      83.514  97.067 -23.993  1.00 26.36     0.242 C 
-ATOM   9996  O   CYS E 187      82.702  96.318 -24.553  1.00 26.78    -0.271 OA
-ATOM   9997  CB  CYS E 187      84.714  96.314 -21.964  1.00 25.49     0.120 C 
-ATOM   9998  SG  CYS E 187      83.953  97.671 -20.996  1.00 26.02    -0.095 SA
-ATOM   9999  N   CYS E 188      83.319  98.367 -23.789  1.00 26.58    -0.345 N 
-ATOM  10000  HN  CYS E 188      84.134  98.952 -23.605  1.00  0.00     0.163 HD
-ATOM  10001  CA  CYS E 188      82.003  99.005 -23.813  1.00 27.06     0.186 C 
-ATOM  10002  C   CYS E 188      82.107 100.334 -24.551  1.00 26.15     0.244 C 
-ATOM  10003  O   CYS E 188      83.124 100.999 -24.447  1.00 26.13    -0.271 OA
-ATOM  10004  CB  CYS E 188      81.514  99.246 -22.374  1.00 27.49     0.120 C 
-ATOM  10005  SG  CYS E 188      81.932  97.915 -21.213  1.00 30.65    -0.095 SA
-ATOM  10006  N   PRO E 189      81.058 100.725 -25.276  1.00 25.66    -0.337 N 
-ATOM  10007  CA  PRO E 189      81.144 101.836 -26.246  1.00 25.08     0.179 C 
-ATOM  10008  C   PRO E 189      81.055 103.266 -25.670  1.00 24.14     0.241 C 
-ATOM  10009  O   PRO E 189      81.430 104.218 -26.371  1.00 24.55    -0.271 OA
-ATOM  10010  CB  PRO E 189      79.959 101.560 -27.165  1.00 24.95     0.037 C 
-ATOM  10011  CG  PRO E 189      78.928 100.966 -26.221  1.00 25.38     0.022 C 
-ATOM  10012  CD  PRO E 189      79.713 100.118 -25.261  1.00 25.33     0.127 C 
-ATOM  10013  N   GLU E 190      80.582 103.394 -24.432  1.00 22.92    -0.346 N 
-ATOM  10014  HN  GLU E 190      80.368 102.539 -23.919  1.00  0.00     0.163 HD
-ATOM  10015  CA  GLU E 190      80.346 104.662 -23.754  1.00 21.46     0.177 C 
-ATOM  10016  C   GLU E 190      81.554 105.004 -22.906  1.00 20.38     0.241 C 
-ATOM  10017  O   GLU E 190      82.313 104.112 -22.531  1.00 21.42    -0.271 OA
-ATOM  10018  CB  GLU E 190      79.144 104.500 -22.815  1.00 22.02     0.045 C 
-ATOM  10019  CG  GLU E 190      77.783 104.833 -23.403  1.00 23.54     0.116 C 
-ATOM  10020  CD  GLU E 190      77.582 106.332 -23.593  1.00 27.80     0.172 C 
-ATOM  10021  OE1 GLU E 190      77.692 107.097 -22.594  1.00 31.24    -0.648 OA
-ATOM  10022  OE2 GLU E 190      77.335 106.752 -24.739  1.00 26.80    -0.648 OA
-ATOM  10023  N   ALA E 191      81.711 106.284 -22.579  1.00 17.87    -0.346 N 
-ATOM  10024  HN  ALA E 191      81.006 106.945 -22.907  1.00  0.00     0.163 HD
-ATOM  10025  CA  ALA E 191      82.821 106.815 -21.783  1.00 16.66     0.172 C 
-ATOM  10026  C   ALA E 191      82.512 106.794 -20.298  1.00 16.05     0.240 C 
-ATOM  10027  O   ALA E 191      81.349 106.965 -19.892  1.00 15.28    -0.271 OA
-ATOM  10028  CB  ALA E 191      83.159 108.238 -22.234  1.00 16.63     0.042 C 
-ATOM  10029  N   TYR E 192      83.546 106.556 -19.484  1.00 15.82    -0.346 N 
-ATOM  10030  HN  TYR E 192      84.467 106.396 -19.893  1.00  0.00     0.163 HD
-ATOM  10031  CA  TYR E 192      83.405 106.516 -18.019  1.00 16.23     0.180 C 
-ATOM  10032  C   TYR E 192      84.274 107.602 -17.455  1.00 16.75     0.241 C 
-ATOM  10033  O   TYR E 192      85.425 107.757 -17.861  1.00 17.15    -0.271 OA
-ATOM  10034  CB  TYR E 192      83.859 105.150 -17.472  1.00 15.56     0.073 C 
-ATOM  10035  CG  TYR E 192      82.946 104.040 -17.913  1.00 15.75    -0.056 A 
-ATOM  10036  CD1 TYR E 192      83.090 103.449 -19.168  1.00 15.94     0.010 A 
-ATOM  10037  CD2 TYR E 192      81.925 103.601 -17.086  1.00 15.05     0.010 A 
-ATOM  10038  CE1 TYR E 192      82.234 102.433 -19.580  1.00 16.75     0.037 A 
-ATOM  10039  CE2 TYR E 192      81.074 102.596 -17.472  1.00 15.96     0.037 A 
-ATOM  10040  CZ  TYR E 192      81.228 102.014 -18.723  1.00 16.47     0.065 A 
-ATOM  10041  OH  TYR E 192      80.395 101.016 -19.131  1.00 17.88    -0.361 OA
-ATOM  10042  HH  TYR E 192      79.706 100.729 -18.544  1.00  0.00     0.217 HD
-ATOM  10043  N   GLU E 193      83.737 108.362 -16.524  1.00 17.23    -0.346 N 
-ATOM  10044  HN  GLU E 193      82.774 108.191 -16.234  1.00  0.00     0.163 HD
-ATOM  10045  CA  GLU E 193      84.482 109.434 -15.903  1.00 17.78     0.177 C 
-ATOM  10046  C   GLU E 193      85.288 108.984 -14.696  1.00 18.43     0.241 C 
-ATOM  10047  O   GLU E 193      84.890 108.078 -13.959  1.00 17.91    -0.271 OA
-ATOM  10048  CB  GLU E 193      83.519 110.563 -15.532  1.00 18.17     0.045 C 
-ATOM  10049  CG  GLU E 193      82.971 111.282 -16.779  1.00 18.14     0.116 C 
-ATOM  10050  CD  GLU E 193      82.197 112.541 -16.447  1.00 19.75     0.172 C 
-ATOM  10051  OE1 GLU E 193      82.276 113.011 -15.298  1.00 20.14    -0.648 OA
-ATOM  10052  OE2 GLU E 193      81.532 113.081 -17.345  1.00 21.65    -0.648 OA
-ATOM  10053  N   ASP E 194      86.436 109.608 -14.505  1.00 19.07    -0.346 N 
-ATOM  10054  HN  ASP E 194      86.761 110.285 -15.195  1.00  0.00     0.163 HD
-ATOM  10055  CA  ASP E 194      87.239 109.344 -13.330  1.00 20.22     0.186 C 
-ATOM  10056  C   ASP E 194      87.853 110.634 -12.829  1.00 19.87     0.241 C 
-ATOM  10057  O   ASP E 194      87.956 111.570 -13.578  1.00 19.36    -0.271 OA
-ATOM  10058  CB  ASP E 194      88.307 108.273 -13.620  1.00 20.60     0.147 C 
-ATOM  10059  CG  ASP E 194      89.434 108.756 -14.566  1.00 24.82     0.175 C 
-ATOM  10060  OD1 ASP E 194      90.266 109.633 -14.185  1.00 27.54    -0.648 OA
-ATOM  10061  OD2 ASP E 194      89.605 108.254 -15.708  1.00 29.15    -0.648 OA
-ATOM  10062  N   VAL E 195      88.232 110.674 -11.559  1.00 19.53    -0.346 N 
-ATOM  10063  HN  VAL E 195      87.903 109.951 -10.920  1.00  0.00     0.163 HD
-ATOM  10064  CA  VAL E 195      89.103 111.720 -11.054  1.00 19.61     0.180 C 
-ATOM  10065  C   VAL E 195      90.455 111.087 -10.714  1.00 19.20     0.241 C 
-ATOM  10066  O   VAL E 195      90.522 110.062 -10.036  1.00 18.80    -0.271 OA
-ATOM  10067  CB  VAL E 195      88.519 112.393  -9.781  1.00 20.03     0.009 C 
-ATOM  10068  CG1 VAL E 195      89.552 113.327  -9.134  1.00 20.98     0.012 C 
-ATOM  10069  CG2 VAL E 195      87.269 113.143 -10.105  1.00 20.50     0.012 C 
-ATOM  10070  N   GLU E 196      91.518 111.696 -11.208  1.00 18.87    -0.346 N 
-ATOM  10071  HN  GLU E 196      91.378 112.451 -11.879  1.00  0.00     0.163 HD
-ATOM  10072  CA  GLU E 196      92.879 111.340 -10.840  1.00 19.14     0.177 C 
-ATOM  10073  C   GLU E 196      93.382 112.274  -9.739  1.00 18.70     0.241 C 
-ATOM  10074  O   GLU E 196      93.411 113.506  -9.904  1.00 18.63    -0.271 OA
-ATOM  10075  CB  GLU E 196      93.809 111.374 -12.059  1.00 19.15     0.045 C 
-ATOM  10076  CG  GLU E 196      93.738 110.088 -12.855  1.00 23.22     0.116 C 
-ATOM  10077  CD  GLU E 196      94.433 110.121 -14.212  1.00 27.90     0.172 C 
-ATOM  10078  OE1 GLU E 196      95.081 111.146 -14.596  1.00 28.49    -0.648 OA
-ATOM  10079  OE2 GLU E 196      94.318 109.076 -14.903  1.00 28.92    -0.648 OA
-ATOM  10080  N   VAL E 197      93.753 111.686  -8.604  1.00 18.23    -0.346 N 
-ATOM  10081  HN  VAL E 197      93.679 110.672  -8.528  1.00  0.00     0.163 HD
-ATOM  10082  CA  VAL E 197      94.261 112.441  -7.468  1.00 17.66     0.180 C 
-ATOM  10083  C   VAL E 197      95.765 112.195  -7.359  1.00 17.75     0.241 C 
-ATOM  10084  O   VAL E 197      96.207 111.064  -7.137  1.00 17.33    -0.271 OA
-ATOM  10085  CB  VAL E 197      93.547 112.035  -6.177  1.00 17.99     0.009 C 
-ATOM  10086  CG1 VAL E 197      94.110 112.785  -4.968  1.00 17.43     0.012 C 
-ATOM  10087  CG2 VAL E 197      92.035 112.274  -6.299  1.00 17.78     0.012 C 
-ATOM  10088  N   SER E 198      96.545 113.262  -7.543  1.00 17.42    -0.344 N 
-ATOM  10089  HN  SER E 198      96.110 114.175  -7.677  1.00  0.00     0.163 HD
-ATOM  10090  CA  SER E 198      97.992 113.164  -7.559  1.00 17.55     0.200 C 
-ATOM  10091  C   SER E 198      98.531 113.602  -6.216  1.00 17.40     0.243 C 
-ATOM  10092  O   SER E 198      98.440 114.789  -5.849  1.00 17.17    -0.271 OA
-ATOM  10093  CB  SER E 198      98.589 114.021  -8.680  1.00 17.69     0.199 C 
-ATOM  10094  OG  SER E 198      98.319 113.457  -9.949  1.00 19.44    -0.398 OA
-ATOM  10095  HG  SER E 198      98.689 113.988 -10.644  1.00  0.00     0.209 HD
-ATOM  10096  N   LEU E 199      99.098 112.636  -5.495  1.00 17.03    -0.346 N 
-ATOM  10097  HN  LEU E 199      99.109 111.690  -5.876  1.00  0.00     0.163 HD
-ATOM  10098  CA  LEU E 199      99.705 112.862  -4.187  1.00 16.89     0.177 C 
-ATOM  10099  C   LEU E 199     101.236 113.016  -4.310  1.00 16.54     0.241 C 
-ATOM  10100  O   LEU E 199     101.965 112.066  -4.585  1.00 16.62    -0.271 OA
-ATOM  10101  CB  LEU E 199      99.316 111.722  -3.250  1.00 17.01     0.038 C 
-ATOM  10102  CG  LEU E 199      99.972 111.636  -1.869  1.00 18.26    -0.020 C 
-ATOM  10103  CD1 LEU E 199      99.547 112.794  -0.975  1.00 18.46     0.009 C 
-ATOM  10104  CD2 LEU E 199      99.654 110.316  -1.212  1.00 18.81     0.009 C 
-ATOM  10105  N   ASN E 200     101.716 114.237  -4.141  1.00 16.23    -0.346 N 
-ATOM  10106  HN  ASN E 200     101.062 115.007  -3.998  1.00  0.00     0.163 HD
-ATOM  10107  CA  ASN E 200     103.145 114.523  -4.152  1.00 15.72     0.185 C 
-ATOM  10108  C   ASN E 200     103.632 114.497  -2.710  1.00 15.22     0.241 C 
-ATOM  10109  O   ASN E 200     103.231 115.331  -1.885  1.00 14.95    -0.271 OA
-ATOM  10110  CB  ASN E 200     103.390 115.873  -4.831  1.00 15.97     0.137 C 
-ATOM  10111  CG  ASN E 200     104.872 116.245  -4.951  1.00 17.26     0.217 C 
-ATOM  10112  ND2 ASN E 200     105.765 115.253  -5.081  1.00 18.26    -0.370 N 
-ATOM  10113 1HD2 ASN E 200     106.751 115.501  -5.161  1.00  0.00     0.159 HD
-ATOM  10114 2HD2 ASN E 200     105.494 114.270  -5.090  1.00  0.00     0.159 HD
-ATOM  10115  OD1 ASN E 200     105.195 117.419  -4.940  1.00 18.04    -0.274 OA
-ATOM  10116  N   PHE E 201     104.480 113.521  -2.393  1.00 14.31    -0.346 N 
-ATOM  10117  HN  PHE E 201     104.830 112.902  -3.124  1.00  0.00     0.163 HD
-ATOM  10118  CA  PHE E 201     104.916 113.325  -1.015  1.00 14.03     0.180 C 
-ATOM  10119  C   PHE E 201     106.373 112.868  -0.946  1.00 13.67     0.241 C 
-ATOM  10120  O   PHE E 201     106.932 112.465  -1.966  1.00 13.68    -0.271 OA
-ATOM  10121  CB  PHE E 201     104.003 112.319  -0.317  1.00 14.31     0.073 C 
-ATOM  10122  CG  PHE E 201     104.207 110.902  -0.764  1.00 15.48    -0.056 A 
-ATOM  10123  CD1 PHE E 201     103.744 110.476  -2.010  1.00 15.70     0.007 A 
-ATOM  10124  CD2 PHE E 201     104.897 110.003   0.046  1.00 16.07     0.007 A 
-ATOM  10125  CE1 PHE E 201     103.940 109.172  -2.442  1.00 16.41     0.001 A 
-ATOM  10126  CE2 PHE E 201     105.093 108.693  -0.369  1.00 16.49     0.001 A 
-ATOM  10127  CZ  PHE E 201     104.605 108.269  -1.621  1.00 16.57     0.000 A 
-ATOM  10128  N   ARG E 202     106.974 112.923   0.248  1.00 13.36    -0.346 N 
-ATOM  10129  HN  ARG E 202     106.451 113.295   1.041  1.00  0.00     0.163 HD
-ATOM  10130  CA  ARG E 202     108.353 112.472   0.467  1.00 13.14     0.176 C 
-ATOM  10131  C   ARG E 202     108.598 111.911   1.883  1.00 13.93     0.241 C 
-ATOM  10132  O   ARG E 202     107.761 112.099   2.777  1.00 14.81    -0.271 OA
-ATOM  10133  CB  ARG E 202     109.315 113.623   0.171  1.00 12.67     0.036 C 
-ATOM  10134  CG  ARG E 202     109.476 114.670   1.270  1.00 11.35     0.023 C 
-ATOM  10135  CD  ARG E 202     110.415 115.865   0.885  1.00  9.28     0.138 C 
-ATOM  10136  NE  ARG E 202     110.145 117.037   1.730  1.00  9.70    -0.227 N 
-ATOM  10137  HE  ARG E 202     109.557 116.897   2.552  1.00  0.00     0.177 HD
-ATOM  10138  CZ  ARG E 202     110.607 118.272   1.509  1.00  7.70     0.665 C 
-ATOM  10139  NH1 ARG E 202     111.382 118.513   0.461  1.00  7.01    -0.235 N 
-ATOM  10140 1HH1 ARG E 202     111.734 119.455   0.292  1.00  0.00     0.174 HD
-ATOM  10141 2HH1 ARG E 202     111.616 117.754  -0.179  1.00  0.00     0.174 HD
-ATOM  10142  NH2 ARG E 202     110.301 119.264   2.346  1.00  5.44    -0.235 N 
-ATOM  10143 1HH2 ARG E 202     110.653 120.206   2.177  1.00  0.00     0.174 HD
-ATOM  10144 2HH2 ARG E 202     109.705 119.079   3.152  1.00  0.00     0.174 HD
-ATOM  10145  N   LYS E 203     109.728 111.233   2.094  1.00 14.69    -0.346 N 
-ATOM  10146  HN  LYS E 203     110.281 110.929   1.293  1.00  0.00     0.163 HD
-ATOM  10147  CA  LYS E 203     110.200 110.910   3.456  1.00 15.73     0.176 C 
-ATOM  10148  C   LYS E 203     110.808 112.176   4.036  1.00 15.24     0.241 C 
-ATOM  10149  O   LYS E 203     111.585 112.830   3.353  1.00 14.68    -0.271 OA
-ATOM  10150  CB  LYS E 203     111.306 109.850   3.458  1.00 16.52     0.035 C 
-ATOM  10151  CG  LYS E 203     110.935 108.495   2.857  1.00 20.94     0.004 C 
-ATOM  10152  CD  LYS E 203     112.203 107.606   2.718  1.00 28.29     0.027 C 
-ATOM  10153  CE  LYS E 203     111.868 106.088   2.676  1.00 31.55     0.229 C 
-ATOM  10154  NZ  LYS E 203     111.378 105.605   1.340  1.00 32.70    -0.079 N 
-ATOM  10155  HZ1 LYS E 203     111.158 104.609   1.312  1.00  0.00     0.274 HD
-ATOM  10156  HZ2 LYS E 203     112.045 105.844   0.607  1.00  0.00     0.274 HD
-ATOM  10157  HZ3 LYS E 203     110.577 106.157   1.032  1.00  0.00     0.274 HD
-ATOM  10158  N   LYS E 204     110.469 112.495   5.286  1.00 14.97    -0.346 N 
-ATOM  10159  HN  LYS E 204     109.757 111.935   5.755  1.00  0.00     0.163 HD
-ATOM  10160  CA  LYS E 204     111.071 113.609   6.015  1.00 15.51     0.176 C 
-ATOM  10161  C   LYS E 204     112.533 113.324   6.297  1.00 16.26     0.240 C 
-ATOM  10162  O   LYS E 204     112.980 112.178   6.173  1.00 16.40    -0.271 OA
-ATOM  10163  CB  LYS E 204     110.394 113.808   7.355  1.00 14.98     0.035 C 
-ATOM  10164  CG  LYS E 204     108.930 113.717   7.344  1.00 13.62     0.004 C 
-ATOM  10165  CD  LYS E 204     108.470 114.027   8.729  1.00 12.93     0.027 C 
-ATOM  10166  CE  LYS E 204     106.957 114.286   8.740  1.00  8.10     0.229 C 
-ATOM  10167  NZ  LYS E 204     106.527 114.046  10.128  1.00  9.14    -0.079 N 
-ATOM  10168  HZ1 LYS E 204     105.522 114.218  10.135  1.00  0.00     0.274 HD
-ATOM  10169  HZ2 LYS E 204     107.042 114.594  10.817  1.00  0.00     0.274 HD
-ATOM  10170  HZ3 LYS E 204     106.788 113.127  10.485  1.00  0.00     0.274 HD
-ATOM  10171  N   GLY E 205     113.266 114.356   6.704  1.00 17.18    -0.353 N 
-ATOM  10172  HN  GLY E 205     112.825 115.270   6.810  1.00  0.00     0.162 HD
-ATOM  10173  CA  GLY E 205     114.685 114.211   7.002  1.00 18.69     0.192 C 
-ATOM  10174  C   GLY E 205     115.066 114.432   8.471  1.00 19.68     0.250 C 
-ATOM  10175  O   GLY E 205     114.238 114.825   9.318  1.00 20.09    -0.305 OA
-TER   10176      GLY E 205 
diff --git a/example/reactive_adgpu/README.md b/example/reactive_adgpu/README.md
deleted file mode 100644
index 19cc8952..00000000
--- a/example/reactive_adgpu/README.md
+++ /dev/null
@@ -1,64 +0,0 @@
-This is a draft
-
-# 1. Prepare protein with waterkit
-Follow `wk_prepare_receptor.py` instructions and run with `--pdb`.
-The goal of this step is to perform essential fixes to the protein
-(such as missing atoms), to add hydrogens, and to follow the Amber
-naming scheme for atoms and residues, e.g., `HIE` or `HID`
-instead of `HIS`.
-
-# 2. Prepare protein pdbqt
-Here, `wk.pdb` was written by waterkit. The example below will center a gridbox of specified size on the given reactive residue.
-
-```console
-$ mk_prepare_receptor.py\
-    --pdb wk.pdb\
-    -o receptor.pdbqt\
-    --flexres " :ARG:348"\
-    --reactive_flexres " :SER:308"\
-    --box_center_on_reactive_res\
-    --box_size 40 40 40  # x y z (angstroms)
-```
-A manual box center can be specified with `--box_center`.
-Reactive parameters can also be modified:
-```sh
-  --r_eq_12 R_EQ_12     r_eq for reactive atoms (1-2 interaction)
-  --eps_12 EPS_12       epsilon for reactive atoms (1-2 interaction)
-  --r_eq_13_scaling R_EQ_13_SCALING
-                        r_eq scaling for 1-3 interaction across reactive atoms
-  --r_eq_14_scaling R_EQ_14_SCALING
-                        r_eq scaling for 1-4 interaction across reactive atoms
-```
-
-We can't handle heteroatoms for the moment. Nor nucleic acids.
-All parameters are tabulated according to Amber residue and atom names.
-We are yet to add ions, nucleic acids, modified residues such as
-phosphorilation, and a mechanism to support heteroatoms. 
-
-
-# 3 Run autogrid
-
-Make affinity maps for the `_rigid.pdbqt` part of the receptor. `mk_prepare_receptor.py` will prepare the GPF for you.
-
-
-# 4. Write ligand PDBQT
-
-Assuming you have a sufex containing molecule in file named `sufex1.sdf`.
-```sh
-mk_prepare_ligand.py -i sufex1.sdf -o sufex1.pdbqt\
-    --reactive_smarts "S(=O)(=O)F"\
-    --reactive_smarts_idx 1
-```
-
-# 5. Configure AD-GPU for reactive docking
-
-For reactive docking there are an additional option that needs to be passed to AutoDock-GPU:
-    ```console
-    --import_dpf
-    ```
-
-The filename to be passed to `--import_dpf` was written by `mk_prepare_receptor.py`
-and it is suffixed with `reactive_config`.
-```sh
-ADGPU -I *.reactive_config -L sufex1.pdbqt -N sufex1_docked_ -F *_flex.pdbqt -C 1
-```
diff --git a/example/writer_example/aspirin.mol2 b/example/writer_example/aspirin.mol2
deleted file mode 100644
index c6e45c16..00000000
--- a/example/writer_example/aspirin.mol2
+++ /dev/null
@@ -1,49 +0,0 @@
-@<TRIPOS>MOLECULE
-aspirin
- 20 20 0 0 0
-SMALL
-GASTEIGER
-
-@<TRIPOS>ATOM
-      1 O1          2.7496   -2.1018    1.5781 O.2     0  0          -0.3386
-      2 C1          2.3378   -2.0037    0.4337 C.2     0  0           0.2218
-      3 C2          0.9005   -2.2969    0.1445 C.3     0  0           0.0422
-      4 O2          3.1593   -1.6724   -0.6020 O.3     0  0          -0.4661
-      5 C3          4.4723   -1.2943   -0.6200 C.ar    0  0           0.1166
-      6 C4          5.1940   -0.9819    0.5578 C.ar    0  0          -0.0284
-      7 C5          6.5342   -0.5989    0.4887 C.ar    0  0          -0.0826
-      8 C6          7.1787   -0.5156   -0.7408 C.ar    0  0          -0.0872
-      9 C7          6.4879   -0.8107   -1.9139 C.ar    0  0          -0.0363
-     10 C8          5.1339   -1.1997   -1.8741 C.ar    0  0           0.1315
-     11 C9          4.4301   -1.5050   -3.1563 C.2     0  0           0.2813
-     12 O3          5.0248   -1.4155   -4.2192 O.co2   0  0          -0.3196
-     13 O4          3.1358   -1.8798   -3.1656 O.co2   0  0          -0.4424
-     14 H1          0.3550   -2.5641    1.0749 H       0  0           0.0516
-     15 H2          0.8339   -3.1464   -0.5670 H       0  0           0.0516
-     16 H3          0.4234   -1.4034   -0.3089 H       0  0           0.0516
-     17 H4          4.7452   -1.0175    1.5340 H       0  0           0.0628
-     18 H5          7.0751   -0.3628    1.3962 H       0  0           0.0438
-     19 H6          8.2183   -0.2175   -0.7865 H       0  0           0.0421
-     20 H7          7.0123   -0.7345   -2.8583 H       0  0           0.0545
-@<TRIPOS>BOND
-     1     1     2    2
-     2     2     3    1
-     3     2     4    1
-     4     4     5    1
-     5     5     6   ar
-     6     6     7   ar
-     7     7     8   ar
-     8     8     9   ar
-     9     9    10   ar
-    10     5    10   ar
-    11    10    11    1
-    12    11    12   ar
-    13    11    13   ar
-    14     3    14    1
-    15     3    15    1
-    16     3    16    1
-    17     6    17    1
-    18     7    18    1
-    19     8    19    1
-    20     9    20    1
-
diff --git a/example/writer_example/formic.mol2 b/example/writer_example/formic.mol2
deleted file mode 100644
index 03aaaf19..00000000
--- a/example/writer_example/formic.mol2
+++ /dev/null
@@ -1,16 +0,0 @@
-@<TRIPOS>MOLECULE
-*****
- 4 3 0 0 0
-SMALL
-GASTEIGER
-
-@<TRIPOS>ATOM
-      1 C1          1.1179   -0.0246    0.0113 C.2     0  0           0.1929
-      2 O1          0.4898   -0.8012   -0.6883 O.co2   0  0          -0.3521
-      3 O2          2.4632   -0.0421   -0.0045 O.co2   0  0          -0.4652
-      4 H1          0.5922    0.6801    0.6461 H       0  0           0.1787
-@<TRIPOS>BOND
-     1     1     2   ar
-     2     1     3   ar
-     3     1     4    1
-
diff --git a/example/writer_example/nicotine.mol2 b/example/writer_example/nicotine.mol2
deleted file mode 100644
index 61482bf9..00000000
--- a/example/writer_example/nicotine.mol2
+++ /dev/null
@@ -1,64 +0,0 @@
-@<TRIPOS>MOLECULE
-*****
- 27 28 0 0 0
-SMALL
-GASTEIGER
-
-@<TRIPOS>ATOM
-      1  N1 1      79.4345   94.7969   31.7450 N.ar  1206  NCT1206    -0.2630
-      2  C1 1      80.6215   94.4145   32.2872 C.ar  1206  NCT1206     0.0292
-      3  C2 1      81.6915   94.0370   31.4584 C.ar  1206  NCT1206    -0.0428
-      4  C3 1      81.4990   94.0666   30.0663 C.ar  1206  NCT1206    -0.0573
-      5  C4 1      80.2704   94.4632   29.5360 C.ar  1206  NCT1206    -0.0434
-      6  C5 1      79.2385   94.8289   30.4008 C.ar  1206  NCT1206     0.0276
-      7  N2 1      83.4163   92.2243   31.7008 N.4   1206  NCT1206     0.3824
-      8  C6 1      83.0160   93.6103   32.0629 C.3   1206  NCT1206    -0.0509
-      9  C7 1      84.1911   94.4956   31.6569 C.3   1206  NCT1206    -0.0629
-     10  C8 1      85.3360   93.6133   32.1019 C.3   1206  NCT1206    -0.0692
-     11  C9 1      84.8871   92.2777   31.5262 C.3   1206  NCT1206    -0.0902
-     12  C101      83.0180   91.2549   32.7351 C.3   1206  NCT1206    -0.1024
-     13 H1         80.7281   94.4052   33.3641 H     1206  NCT1206     0.0832
-     14 H2         82.2962   93.7834   29.3911 H     1206  NCT1206     0.0621
-     15 H3         80.1195   94.4868   28.4645 H     1206  NCT1206     0.0633
-     16 H4         78.2811   95.1384   30.0036 H     1206  NCT1206     0.0829
-     17 H5         82.9913   91.9212   30.7920 H     1206  NCT1206    -0.0814
-     18 H6         82.9564   93.6978   33.1764 H     1206  NCT1206     0.0143
-     19 H7         84.1789   95.5061   32.1185 H     1206  NCT1206     0.0252
-     20 H8         84.2377   94.6034   30.5494 H     1206  NCT1206     0.0252
-     21 H9         85.3372   93.5513   33.2144 H     1206  NCT1206     0.0247
-     22 H10        86.3405   93.9408   31.7593 H     1206  NCT1206     0.0247
-     23 H11        85.1069   92.3084   30.4323 H     1206  NCT1206     0.0059
-     24 H12        85.4414   91.4081   31.9448 H     1206  NCT1206     0.0059
-     25 H13        83.4940   91.4904   33.7130 H     1206  NCT1206     0.0024
-     26 H14        83.3218   90.2281   32.4352 H     1206  NCT1206     0.0024
-     27 H15        81.9132   91.2615   32.8604 H     1206  NCT1206     0.0024
-@<TRIPOS>BOND
-     1     1     2   ar
-     2     1     6   ar
-     3     2     3   ar
-     4     3     4   ar
-     5     3     8    1
-     6     4     5   ar
-     7     5     6   ar
-     8     7     8    1
-     9     7    11    1
-    10     7    12    1
-    11     8     9    1
-    12     9    10    1
-    13    10    11    1
-    14     2    13    1
-    15     4    14    1
-    16     5    15    1
-    17     6    16    1
-    18     7    17    1
-    19     8    18    1
-    20     9    19    1
-    21     9    20    1
-    22    10    21    1
-    23    10    22    1
-    24    11    23    1
-    25    11    24    1
-    26    12    25    1
-    27    12    26    1
-    28    12    27    1
-
diff --git a/example/writer_example/noxyde.mol2 b/example/writer_example/noxyde.mol2
deleted file mode 100644
index e8b870b6..00000000
--- a/example/writer_example/noxyde.mol2
+++ /dev/null
@@ -1,33 +0,0 @@
-@<TRIPOS>MOLECULE
-*****
- 12 12 0 0 0
-SMALL
-GASTEIGER
-
-@<TRIPOS>ATOM
-      1 N1         -1.3633   -0.0734   -0.0082 N.ar    0  0          -0.2865
-      2 C1         -0.7595    1.1485   -0.0105 C.ar    0  0           0.0322
-      3 C2          0.6348    1.2445   -0.0053 C.ar    0  0          -0.0284
-      4 C3          1.3999    0.0772    0.0024 C.ar    0  0          -0.0572
-      5 C4          0.7662   -1.1662    0.0047 C.ar    0  0          -0.0284
-      6 C5         -0.6303   -1.2223   -0.0007 C.ar    0  0           0.0322
-      7 O1         -2.6911   -0.1457   -0.0133 O.3     0  0          -0.5708
-      8 H1         -1.3576    2.0515   -0.0165 H       0  0           0.1211
-      9 H2          1.1165    2.2137   -0.0071 H       0  0           0.0695
-     10 H3          2.4807    0.1362    0.0066 H       0  0           0.0504
-     11 H4          1.3503   -2.0774    0.0107 H       0  0           0.0695
-     12 H5         -1.1268   -2.1850    0.0011 H       0  0           0.1211
-@<TRIPOS>BOND
-     1     1     2   ar
-     2     1     7    1
-     3     2     3   ar
-     4     3     4   ar
-     5     4     5   ar
-     6     5     6   ar
-     7     6     1   ar
-     8     2     8    1
-     9     3     9    1
-    10     4    10    1
-    11     5    11    1
-    12     6    12    1
-
diff --git a/example/writer_example/peptide.mol2 b/example/writer_example/peptide.mol2
deleted file mode 100644
index 3670991c..00000000
--- a/example/writer_example/peptide.mol2
+++ /dev/null
@@ -1,38 +0,0 @@
-@<TRIPOS>MOLECULE
-peptide
- 15 14 0 0 0
-SMALL
-GASTEIGER
-
-@<TRIPOS>ATOM
-      1 C1          0.8917    0.0124    0.0470 C.3     0  0          -0.0326
-      2 N1          2.3466    0.0400   -0.0068 N.am    0  0          -0.3481
-      3 C2          3.1107   -0.5250    1.0981 C.3     0  0          -0.0326
-      4 C3          3.0141    0.5870   -1.0763 C.2     0  0           0.1304
-      5 O1          4.2378    0.5937   -1.0893 O.2     0  0          -0.3874
-      6 C4          2.3144    1.1964   -2.2682 C.3     0  0           0.0143
-      7 H1          0.5156   -0.4632    0.9770 H       0  0           0.0296
-      8 H2          0.4913   -0.5715   -0.8090 H       0  0           0.0296
-      9 H3          0.4912    1.0482    0.0192 H       0  0           0.0296
-     10 H4          2.4573   -0.9337    1.8973 H       0  0           0.0296
-     11 H5          3.7524    0.2597    1.5531 H       0  0           0.0296
-     12 H6          3.7525   -1.3531    0.7284 H       0  0           0.0296
-     13 H7          1.2101    1.1666   -2.2100 H       0  0           0.0416
-     14 H8          2.6190    0.6528   -3.1871 H       0  0           0.0416
-     15 H9          2.6189    2.2596   -2.3655 H       0  0           0.0416
-@<TRIPOS>BOND
-     1     1     2    1
-     2     2     3    1
-     3     2     4   am
-     4     4     5    2
-     5     4     6    1
-     6     1     7    1
-     7     1     8    1
-     8     1     9    1
-     9     3    10    1
-    10     3    11    1
-    11     3    12    1
-    12     6    13    1
-    13     6    14    1
-    14     6    15    1
-
diff --git a/example/writer_example/pyridine.mol2 b/example/writer_example/pyridine.mol2
deleted file mode 100644
index 665be89c..00000000
--- a/example/writer_example/pyridine.mol2
+++ /dev/null
@@ -1,31 +0,0 @@
-@<TRIPOS>MOLECULE
-*****
- 11 11 0 0 0
-SMALL
-GASTEIGER
-
-@<TRIPOS>ATOM
-      1 C1         -1.3927   -0.0757   -0.0178 C.ar    0  0          -0.0873
-      2 C2         -0.7564    1.1675    0.0050 C.ar    0  0          -0.0730
-      3 C3          0.6397    1.2194    0.0441 C.ar    0  0          -0.0312
-      4 N1          1.3639    0.0678    0.0596 N.ar    0  0          -0.3476
-      5 C4          0.7634   -1.1528    0.0379 C.ar    0  0          -0.0312
-      6 C5         -0.6305   -1.2462   -0.0013 C.ar    0  0          -0.0730
-      7 H1         -2.4732   -0.1320   -0.0481 H       0  0           0.0430
-      8 H2         -1.3378    2.0803   -0.0075 H       0  0           0.0495
-      9 H3          1.1473    2.1746    0.0621 H       0  0           0.0735
-     10 H4          1.3676   -2.0500    0.0511 H       0  0           0.0735
-     11 H5         -1.1138   -2.2144   -0.0187 H       0  0           0.0495
-@<TRIPOS>BOND
-     1     1     2   ar
-     2     2     3   ar
-     3     3     4   ar
-     4     4     5   ar
-     5     5     6   ar
-     6     1     6   ar
-     7     1     7    1
-     8     2     8    1
-     9     3     9    1
-    10     5    10    1
-    11     6    11    1
-
diff --git a/example/writer_example/triamin.mol2 b/example/writer_example/triamin.mol2
deleted file mode 100644
index 7900ddfb..00000000
--- a/example/writer_example/triamin.mol2
+++ /dev/null
@@ -1,34 +0,0 @@
-@<TRIPOS>MOLECULE
-*****
- 13 12 0 0 0
-SMALL
-GASTEIGER
-
-@<TRIPOS>ATOM
-      1 N1          1.0093    0.0785    0.0067 N.3     0  0          -0.3650
-      2 C1          0.5075   -1.1405   -0.6439 C.3     0  0          -0.0401
-      3 C2          0.5075    0.1678    1.3855 C.3     0  0          -0.0401
-      4 C3          2.4790    0.0995   -0.0069 C.3     0  0          -0.0401
-      5 H1         -0.6035   -1.1321   -0.6661 H       0  0           0.0539
-      6 H2          0.8513   -2.0560   -0.1123 H       0  0           0.0539
-      7 H3          0.8574   -1.1828   -1.6979 H       0  0           0.0539
-      8 H4         -0.6035    0.1915    1.3871 H       0  0           0.0539
-      9 H5          0.8574    1.1104    1.8591 H       0  0           0.0539
-     10 H6          0.8513   -0.6943    1.9999 H       0  0           0.0539
-     11 H7          2.8520    0.0718   -1.0534 H       0  0           0.0539
-     12 H8          2.9032   -0.7654    0.5507 H       0  0           0.0539
-     13 H9          2.8520    1.0412    0.4504 H       0  0           0.0539
-@<TRIPOS>BOND
-     1     1     2    1
-     2     1     3    1
-     3     1     4    1
-     4     2     5    1
-     5     2     6    1
-     6     2     7    1
-     7     3     8    1
-     8     3     9    1
-     9     3    10    1
-    10     4    11    1
-    11     4    12    1
-    12     4    13    1
-
diff --git a/example/writer_example/water.mol2 b/example/writer_example/water.mol2
deleted file mode 100644
index 8b9a3cb5..00000000
--- a/example/writer_example/water.mol2
+++ /dev/null
@@ -1,14 +0,0 @@
-@<TRIPOS>MOLECULE
-*****
- 3 2 0 0 0
-SMALL
-GASTEIGER
-
-@<TRIPOS>ATOM
-      1 O1          1.0009    0.0242   -0.0904 O.3     0  0          -0.5270
-      2 H1          1.9903    0.0598   -0.1144 H       0  0           0.0583
-      3 H2          0.7116    0.8093   -0.6200 H       0  0           0.0583
-@<TRIPOS>BOND
-     1     1     2    1
-     2     1     3    1
-

From 996edf0e5840969ae3715e99e1a7a832c2d8f232 Mon Sep 17 00:00:00 2001
From: diogom <diogom@scripps.edu>
Date: Tue, 15 Oct 2024 14:25:27 -0700
Subject: [PATCH 071/166] complete re-implementing residue.is_flexres_atom

---
 meeko/linked_rdkit_chorizo.py |  3 ---
 meeko/writer.py               | 29 ++++++++++++-----------------
 2 files changed, 12 insertions(+), 20 deletions(-)

diff --git a/meeko/linked_rdkit_chorizo.py b/meeko/linked_rdkit_chorizo.py
index 4eda5d44..c7914cac 100644
--- a/meeko/linked_rdkit_chorizo.py
+++ b/meeko/linked_rdkit_chorizo.py
@@ -1432,9 +1432,6 @@ def flexibilize_sidechain(self, residue_id, mk_prep):
         conn = molsetup.flexibility_model["rigid_body_connectivity"]
         rigid_index_by_atom = molsetup.flexibility_model["rigid_index_by_atom"]
         # from the root, use only the atom that is bonded to the only rotatable bond
-        print(graph)
-        print(rigid_index_by_atom)
-        print(len(rigid_index_by_atom))
         for other_body_idx in graph[root_body_idx]:
             root_link_atom_idx = conn[(root_body_idx, other_body_idx)][0]
             for atom_idx, body_idx in rigid_index_by_atom.items():
diff --git a/meeko/writer.py b/meeko/writer.py
index 5a1facd3..ceb9ad40 100644
--- a/meeko/writer.py
+++ b/meeko/writer.py
@@ -511,7 +511,7 @@ def write_from_linked_rdkit_chorizo(cls, chorizo):
         flex_pdbqt_dict = {}
         atom_count = 0
         flex_atom_count = 0
-        for res_id in chorizo.get_valid_residues():
+        for res_id, residue in chorizo.get_valid_residues().items():
             chain, resnum = res_id.split(":")
             if resnum[-1].isalpha():
                 icode = resnum[-1]
@@ -519,26 +519,21 @@ def write_from_linked_rdkit_chorizo(cls, chorizo):
             else:
                 icode = ""
                 resnum = int(resnum)
-            molsetup = chorizo.residues[res_id].molsetup
-            resname = chorizo.residues[res_id].input_resname
-            is_rigid_atom = [True for _ in molsetup.atoms]
-            if chorizo.residues[res_id].is_movable:
-                is_rigid_atom = [False for _ in molsetup.atoms]
+            molsetup = residue.molsetup
+            resname = residue.input_resname
+            if residue.is_movable:
                 original_ignore = {atom.index: atom.is_ignore for atom in molsetup.atoms}
                 graph = molsetup.flexibility_model["rigid_body_graph"]
                 root = molsetup.flexibility_model["root"]
                 if len(graph[root]) != 1:
                     raise RuntimeError(
-                        f"flexible residue {res_id} has {len(graph[root])} rotatable bonds from root, must have 1"
+                        f"flexible residue {res_id} has {len(graph[root])}",
+                        " rotatable bonds from root, but PDBQT is limited to 1"
                     )
-                conn = molsetup.flexibility_model["rigid_body_connectivity"]
-                rigid_index_by_atom = molsetup.flexibility_model["rigid_index_by_atom"]
-                # from the root, use only the atom that is bonded to the only rotatable bond
-                root_link_idx = conn[(root, graph[root][0])][0]
-                for atom_idx, body_idx in rigid_index_by_atom.items():
-                    if body_idx == root and atom_idx != root_link_idx:
-                        is_rigid_atom[atom_idx] = True
-                        molsetup.atoms[atom_idx].is_ignore = True
+                # set ignore to True for static atoms of flexible sidechains
+                # to exclude them from the PDBQT string
+                for atom_idx, is_flex in enumerate(residue.is_flexres_atom):
+                        molsetup.atoms[atom_idx].is_ignore = not is_flex
                 this_flex_pdbqt, ok, err = PDBQTWriterLegacy.write_string(
                     molsetup, remove_smiles=True
                 )
@@ -558,8 +553,8 @@ def write_from_linked_rdkit_chorizo(cls, chorizo):
                 )
                 flex_pdbqt_dict[res_id] = this_flex_pdbqt
 
-            for atom in molsetup.atoms:
-                if atom.is_ignore or not is_rigid_atom[atom.index]:
+            for atom_idx, atom in enumerate(molsetup.atoms):
+                if atom.is_ignore or residue.is_flexres_atom[atom_idx]:
                     continue
                 atom_type = atom.atom_type
                 coord = atom.coord

From 93df6cfb720c538415f9cdf89bbff4a7e405bff7 Mon Sep 17 00:00:00 2001
From: diogom <diogom@scripps.edu>
Date: Tue, 15 Oct 2024 19:05:10 -0700
Subject: [PATCH 072/166] parse residue ID from BEGIN_RES in flexres pdbqt

---
 meeko/utils/utils.py        | 69 +++++++++++++++++++++++++++++++++++++
 test/flexres_export_test.py | 12 +++++++
 2 files changed, 81 insertions(+)
 create mode 100644 test/flexres_export_test.py

diff --git a/meeko/utils/utils.py b/meeko/utils/utils.py
index e0999acf..32daab0d 100644
--- a/meeko/utils/utils.py
+++ b/meeko/utils/utils.py
@@ -379,6 +379,75 @@ def _remove_equivalent_rings(self, chordless_rings, ring_contacts):
         return chordless_rings
 
 
+def parse_begin_res(string):
+    """
+        "THR A 315" -> "A:315"
+        "THR  5" -> ":5"
+        " A 5" -> "A:5"
+        "THR A 315B" -> "A:5B"
+
+        meeko v0.5-v0.6.0a3 formatting:
+            - "%s %s %s%s" % (resname, chain, resnum, icode)
+            - input strings have been stripped, thus, we got
+              exactly two whitespace in the input string.
+
+        older (probably mgltools) format include more
+        whitespace: "SER A  56".
+
+        This tries to be flexible and parse even:
+        "SER A1234C"
+        " A 123"
+        "SER  123C
+    """
+
+    if len(string.split()) > 3 or len(string) > 12 or len(string) < 3:
+        raise ValueError(f"{string} doesn't look like a BEGIN_RES flexres")
+
+    resnum = ""
+    icode = ""
+    resname_chain = ""
+    is_chain_or_resname = False
+    got_space = False
+    for i, char in enumerate(reversed(string)):
+        #if not resname_chain and char.isspace():
+        #    continue
+
+        if char.isspace():
+            got_space = True
+            
+        if char.isdigit() and not resname_chain and not got_space:
+            resnum = char + resnum
+
+        elif not char.isdigit() and not resnum and not icode and not got_space:
+            icode = char
+        
+        # prevent icode from having more than 1 char
+        elif not char.isdigit() and not resnum and icode:
+            raise ValueError(f"{string=} misses resnum or has len(icode) > 1")
+
+        # if we are here, resnum already exists, so it's resname_chain land
+        elif not char.isdigit() and not resname_chain:
+            resname_chain = char
+
+        else:
+            resname_chain = char + resname_chain
+
+    fields = resname_chain.split()
+    print(fields)
+    if len(fields) == 1 and len(fields[0]) <= 2:
+        chain = fields[0]
+    elif len(fields) == 1 and len(fields[0]) > 2:
+        chain = ""  # assume fields[0] is resname and no chain
+    elif len(fields) == 2 and len(fields[1]) <= 2:
+        chain = fields[1]
+    elif len(fields) == 0 and resnum:
+        chain = ""
+    else:
+        raise ValueError(f"can't parse {string=}")
+
+    return f"{chain}:{resnum}{icode}"
+
+
 # def writeList(filename, inlist, mode = 'w', addNewLine = False):
 #     if addNewLine: nl = "\n"
 #     else: nl = ""
diff --git a/test/flexres_export_test.py b/test/flexres_export_test.py
new file mode 100644
index 00000000..32352722
--- /dev/null
+++ b/test/flexres_export_test.py
@@ -0,0 +1,12 @@
+from meeko import utils
+
+def test_begin_res_parsing():
+    assert utils.parse_begin_res("SE8 C 23") == "C:23" 
+    assert utils.parse_begin_res("SE8  23") == ":23"
+    assert utils.parse_begin_res("SE8  23A") == ":23A"
+    assert utils.parse_begin_res("SER A1234A") == "A:1234A"
+    assert utils.parse_begin_res("    A 999") == "A:999"
+    assert utils.parse_begin_res("  1") == ":1"
+    assert utils.parse_begin_res(" A1234A") == "A:1234A"
+    assert utils.parse_begin_res(" B1234") == "B:1234"
+    assert utils.parse_begin_res("S  23A") == "S:23A"

From e1ece33bccd4a059e8a3342d0420ee3a70f1604f Mon Sep 17 00:00:00 2001
From: Amy He <ayhe1768@gmail.com>
Date: Wed, 16 Oct 2024 17:23:57 -0700
Subject: [PATCH 073/166] update residue_chem_templates.json; add
 NAKB_templates.json

---
 meeko/data/NAKB_templates.json         | 9321 ++++++++++++++++++++++++
 meeko/data/residue_chem_templates.json |  409 +-
 2 files changed, 9483 insertions(+), 247 deletions(-)
 create mode 100644 meeko/data/NAKB_templates.json

diff --git a/meeko/data/NAKB_templates.json b/meeko/data/NAKB_templates.json
new file mode 100644
index 00000000..fc74f33e
--- /dev/null
+++ b/meeko/data/NAKB_templates.json
@@ -0,0 +1,9321 @@
+{
+    "ambiguous": {
+        "PSU": ["PSU", "PSU3", "PSU5p", "PSU5"],
+        "5MC": ["5MC", "5MC3", "5MC5p", "5MC5"],
+        "OMG": ["OMG", "OMG3", "OMG5p", "OMG5"],
+        "5MU": ["5MU", "5MU3", "5MU5p", "5MU5"],
+        "OMC": ["OMC", "OMC3", "OMC5p", "OMC5"],
+        "2MG": ["2MG", "2MG3", "2MG5p", "2MG5"],
+        "UR3": ["UR3", "UR33", "UR35p", "UR35"],
+        "OMU": ["OMU", "OMU3", "OMU5p", "OMU5"],
+        "MA6": ["MA6", "MA63", "MA65p", "MA65"],
+        "6MZ": ["6MZ", "6MZ3", "6MZ5p", "6MZ5"],
+        "4OC": ["4OC", "4OC3", "4OC5p", "4OC5"],
+        "G7M": ["G7M", "G7M3", "G7M5p", "G7M5"],
+        "2MA": ["2MA", "2MA3", "2MA5p", "2MA5"],
+        "7MG": ["7MG", "7MG3", "7MG5p", "7MG5"],
+        "4SU": ["4SU", "4SU3", "4SU5p", "4SU5"],
+        "H2U": ["H2U", "H2U3", "H2U5p", "H2U5"],
+        "1MG": ["1MG", "1MG3", "1MG5p", "1MG5"],
+        "5CM": ["5CM", "5CM3", "5CM5p", "5CM5"],
+        "8OG": ["8OG", "8OG3", "8OG5p", "8OG5"],
+        "GTP": ["GTP5p"],
+        "1MA": ["1MA", "1MA3", "1MA5p", "1MA5"],
+        "3TD": ["3TD", "3TD3", "3TD5p", "3TD5"],
+        "A2M": ["A2M", "A2M3", "A2M5p", "A2M5"],
+        "M2G": ["M2G", "M2G3", "M2G5p", "M2G5"],
+        "3DR": ["3DR", "3DR3", "3DR5p", "3DR5"],
+        "MIA": ["MIA", "MIA3", "MIA5p", "MIA5"],
+        "BRU": ["BRU", "BRU3", "BRU5p", "BRU5"],
+        "4AC": ["4AC", "4AC3", "4AC5p", "4AC5"],
+        "B8N": ["B8N", "B8N3", "B8N5p", "B8N5"],
+        "2MU": ["2MU", "2MU3", "2MU5p", "2MU5"],
+        "5BU": ["5BU", "5BU3", "5BU5p", "5BU5"],
+        "LCG": ["LCG", "LCG3", "LCG5p", "LCG5"],
+        "LCC": ["LCC", "LCC3", "LCC5p", "LCC5"],
+        "CBR": ["CBR", "CBR3", "CBR5p", "CBR5"],
+        "T6A": ["T6A", "T6A3", "T6A5p", "T6A5"],
+        "B8T": ["B8T", "B8T3", "B8T5p", "B8T5"],
+        "CBV": ["CBV", "CBV3", "CBV5p", "CBV5"],
+        "3AU": ["3AU", "3AU3", "3AU5p", "3AU5"],
+        "5IU": ["5IU", "5IU3", "5IU5p", "5IU5"],
+        "TTD": ["TTD5p"],
+        "ORP": ["ORP", "ORP3", "ORP5p", "ORP5"],
+        "6MA": ["6MA", "6MA3", "6MA5p", "6MA5"],
+        "6OG": ["6OG", "6OG3", "6OG5p", "6OG5"],
+        "CM0": ["CM0", "CM03", "CM05p", "CM05"],
+        "MRG": ["MRG", "MRG3", "MRG5p", "MRG5"],
+        "GDP": ["GDP5p"],
+        "M7A": ["M7A", "M7A3", "M7A5p", "M7A5"],
+        "5HC": ["5HC", "5HC3", "5HC5p", "5HC5"],
+        "AAB": ["AAB", "AAB3", "AAB5p", "AAB5"],
+        "B8H": ["B8H", "B8H3", "B8H5p", "B8H5"],
+        "UY1": ["UY1", "UY13", "UY15p", "UY15"],
+        "BGM": ["BGM", "BGM3", "BGM5p", "BGM5"],
+        "U8U": ["U8U", "U8U3", "U8U5p", "U8U5"],
+        "B8Q": ["B8Q", "B8Q3", "B8Q5p", "B8Q5"],
+        "0C": ["0C", "0C3", "0C5p", "0C5"],
+        "0G": ["0G", "0G3", "0G5p", "0G5"],
+        "0U": ["0U", "0U3", "0U5p", "0U5"],
+        "2YR": ["2YR", "2YR3", "2YR5p", "2YR5"],
+        "E7G": ["E7G", "E7G3", "E7G5p", "E7G5"],
+        "I4U": ["I4U", "I4U3", "I4U5p", "I4U5"],
+        "P7G": ["P7G", "P7G3", "P7G5p", "P7G5"],
+        "B9B": ["B9B", "B9B3", "B9B5p", "B9B5"],
+        "B8K": ["B8K", "B8K3", "B8K5p", "B8K5"],
+        "B8W": ["B8W", "B8W3", "B8W5p", "B8W5"],
+        "B9H": ["B9H", "B9H3", "B9H5p", "B9H5"],
+        "BGH": ["BGH", "BGH3", "BGH5p", "BGH5"],
+        "IGU": ["IGU", "IGU3", "IGU5p", "IGU5"],
+        "P4U": ["P4U", "P4U3", "P4U5p", "P4U5"],
+        "P5P": ["P5P", "P5P3", "P5P5p", "P5P5"],
+        "ATP": ["ATP", "ATP3", "ATP5p"],
+        "YG": ["YG", "YG3", "YG5p", "YG5"],
+        "YYG": ["YYG", "YYG3", "YYG5p", "YYG5"],
+        "2PR": ["2PR", "2PR3", "2PR5p", "2PR5"],
+        "PYO": ["PYO", "PYO3", "PYO5p", "PYO5"],
+        "E6G": ["E6G", "E6G3", "E6G5p", "E6G5"],
+        "G47": ["G47", "G473", "G475p", "G475"],
+        "8NI": ["8NI", "8NI3", "8NI5p", "8NI5"],
+        "MHG": ["MHG", "MHG3", "MHG5p", "MHG5"],
+        "1W5": ["1W5", "1W53", "1W55p", "1W55"],
+        "CH": ["CH", "CH3", "CH5p", "CH5"],
+        "M7G": ["M7G", "M7G3", "M7G5p"],
+        "MA7": ["MA7", "MA73", "MA75p", "MA75"],
+        "1WA": ["1WA", "1WA3", "1WA5p", "1WA5"],
+        "TLN": ["TLN", "TLN3", "TLN5p", "TLN5"],
+        "Y5P": ["Y5P", "Y5P3", "Y5P5p", "Y5P5"],
+        "1CC": ["1CC", "1CC3", "1CC5p", "1CC5"],
+        "CAR": ["CAR", "CAR3", "CAR5p", "CAR5"],
+        "CFZ": ["CFZ", "CFZ3", "CFZ5p", "CFZ5"],
+        "12A": ["12A", "12A3", "12A5p", "12A5"],
+        "A38": ["A38", "A383", "A385p", "A385"],
+        "DNR": ["DNR", "DNR3", "DNR5p", "DNR5"],
+        "EDA": ["EDA", "EDA3", "EDA5p", "EDA5"],
+        "GF2": ["GF2", "GF23", "GF25p", "GF25"],
+        "UFT": ["UFT", "UFT3", "UFT5p", "UFT5"],
+        "64T": ["64T", "64T3", "64T5p", "64T5"],
+        "70U": ["70U", "70U3", "70U5p", "70U5"],
+        "AF2": ["AF2", "AF23", "AF25p", "AF25"],
+        "C4J": ["C4J", "C4J3", "C4J5p", "C4J5"],
+        "TAF": ["TAF", "TAF3", "TAF5p", "TAF5"],
+        "5FC": ["5FC", "5FC3", "5FC5p", "5FC5"],
+        "5PY": ["5PY", "5PY3", "5PY5p", "5PY5"],
+        "C49": ["C49", "C493", "C495p", "C495"],
+        "CFL": ["CFL", "CFL3", "CFL5p", "CFL5"],
+        "CTG": ["CTG", "CTG3", "CTG5p", "CTG5"],
+        "GFL": ["GFL", "GFL3", "GFL5p", "GFL5"],
+        "P": ["P", "P3", "P5p", "P5"],
+        "QUO": ["QUO", "QUO3", "QUO5p", "QUO5"],
+        "RSP": ["RSP", "RSP3", "RSP5p", "RSP5"],
+        "0DC": ["0DC", "0DC3", "0DC5p", "0DC5"],
+        "0DG": ["0DG", "0DG3", "0DG5p", "0DG5"],
+        "DFT": ["DFT", "DFT3", "DFT5p", "DFT5"],
+        "DZM": ["DZM", "DZM3", "DZM5p", "DZM5"],
+        "FMG": ["FMG", "FMG3", "FMG5p", "FMG5"],
+        "ME6": ["ME6", "ME63", "ME65p", "ME65"],
+        "1AP": ["1AP", "1AP3", "1AP5p", "1AP5"],
+        "56B": ["56B", "56B3", "56B5p", "56B5"],
+        "6IA": ["6IA", "6IA3", "6IA5p", "6IA5"],
+        "8AZ": ["8AZ", "8AZ3", "8AZ5p", "8AZ5"],
+        "C38": ["C38", "C383", "C385p", "C385"],
+        "JSP": ["JSP", "JSP3", "JSP5p", "JSP5"],
+        "RSQ": ["RSQ", "RSQ3", "RSQ5p", "RSQ5"],
+        "02I": ["02I", "02I3", "02I5p", "02I5"],
+        "85Y": ["85Y", "85Y3", "85Y5p", "85Y5"],
+        "E3C": ["E3C", "E3C3", "E3C5p", "E3C5"],
+        "FHU": ["FHU", "FHU3", "FHU5p", "FHU5"],
+        "GNE": ["GNE", "GNE3", "GNE5p", "GNE5"],
+        "IMC": ["IMC", "IMC3", "IMC5p", "IMC5"],
+        "JMH": ["JMH", "JMH3", "JMH5p", "JMH5"],
+        "LHH": ["LHH", "LHH3", "LHH5p", "LHH5"],
+        "UCL": ["UCL", "UCL3", "UCL5p", "UCL5"],
+        "0DA": ["0DA", "0DA3", "0DA5p", "0DA5"],
+        "8GM": ["8GM", "8GM3", "8GM5p", "8GM5"],
+        "DUZ": ["DUZ", "DUZ3", "DUZ5p", "DUZ5"],
+        "GTG": ["GTG"],
+        "IU": ["IU", "IU3", "IU5p", "IU5"],
+        "LCA": ["LCA", "LCA3", "LCA5p", "LCA5"],
+        "SUR": ["SUR", "SUR3", "SUR5p", "SUR5"],
+        "0DT": ["0DT", "0DT3", "0DT5p", "0DT5"],
+        "4DU": ["4DU", "4DU3", "4DU5p", "4DU5"],
+        "7GU": ["7GU", "7GU3", "7GU5p", "7GU5"],
+        "8AH": ["8AH", "8AH3", "8AH5p", "8AH5"],
+        "C6G": ["C6G", "C6G3", "C6G5p", "C6G5"],
+        "EDC": ["EDC", "EDC3", "EDC5p", "EDC5"],
+        "FAG": ["FAG", "FAG3", "FAG5p", "FAG5"],
+        "G49": ["G49", "G493", "G495p", "G495"],
+        "UFR": ["UFR", "UFR3", "UFR5p", "UFR5"],
+        "5HU": ["5HU", "5HU3", "5HU5p", "5HU5"],
+        "7BG": ["7BG", "7BG3", "7BG5p", "7BG5"],
+        "B7C": ["B7C", "B7C3", "B7C5p", "B7C5"],
+        "BZG": ["BZG", "BZG3", "BZG5p", "BZG5"],
+        "CTP": ["CTP", "CTP3", "CTP5p"],
+        "D4B": ["D4B", "D4B3", "D4B5p", "D4B5"],
+        "F74": ["F74", "F743", "F745p", "F745"],
+        "M3X": ["M3X", "M3X3", "M3X5p", "M3X5"],
+        "M7M": ["M7M5p"],
+        "MG1": ["MG1", "MG13", "MG15p", "MG15"],
+        "RIA": ["RIA"],
+        "T64": ["T645p"],
+        "UAR": ["UAR", "UAR3", "UAR5p", "UAR5"],
+        "UFP": ["UFP", "UFP3", "UFP5p", "UFP5"],
+        "UMP": ["UMP", "UMP3", "UMP5p", "UMP5"],
+        "XSX": ["XSX", "XSX3", "XSX5p", "XSX5"],
+        "126": ["126", "1263", "1265p", "1265"],
+        "2LF": ["2LF", "2LF3", "2LF5p", "2LF5"],
+        "5HM": ["5HM", "5HM3", "5HM5p", "5HM5"],
+        "5OC": ["5OC", "5OC3", "5OC5p", "5OC5"],
+        "A44": ["A44", "A443", "A445p", "A445"],
+        "A9Z": ["A9Z", "A9Z3", "A9Z5p", "A9Z5"],
+        "C37": ["C37", "C373", "C375p", "C375"],
+        "EFG": ["EFG", "EFG3", "EFG5p", "EFG5"],
+        "EW3": ["EW3", "EW33", "EW35p", "EW35"],
+        "G48": ["G48", "G483", "G485p", "G485"],
+        "GTA": ["GTA"],
+        "LV2": ["LV2", "LV23", "LV25p", "LV25"],
+        "OHU": ["OHU", "OHU3", "OHU5p", "OHU5"],
+        "PRN": ["PRN", "PRN3", "PRN5p", "PRN5"],
+        "0A": ["0A", "0A3", "0A5p", "0A5"],
+        "1DP": ["1DP", "1DP3", "1DP5p", "1DP5"],
+        "2EG": ["2EG", "2EG3", "2EG5p", "2EG5"],
+        "4PC": ["4PC", "4PC3", "4PC5p", "4PC5"],
+        "5GP": ["5GP", "5GP3", "5GP5p", "5GP5"],
+        "7DA": ["7DA", "7DA3", "7DA5p", "7DA5"],
+        "91N": ["91N", "91N3", "91N5p", "91N5"],
+        "A3A": ["A3A", "A3A3", "A3A5p", "A3A5"],
+        "A5L": ["A5L", "A5L3", "A5L5p", "A5L5"],
+        "A5M": ["A5M", "A5M3", "A5M5p", "A5M5"],
+        "C43": ["C43", "C433", "C435p", "C435"],
+        "C45": ["C45", "C453", "C455p", "C455"],
+        "DG8": ["DG8", "DG83", "DG85p", "DG85"],
+        "F86": ["F86", "F863", "F865p", "F865"],
+        "G36": ["G36", "G363", "G365p", "G365"],
+        "HN1": ["HN1", "HN13", "HN15p", "HN15"],
+        "I2T": ["I2T", "I2T3", "I2T5p", "I2T5"],
+        "MTU": ["MTU", "MTU3", "MTU5p", "MTU5"],
+        "N6G": ["N6G", "N6G3", "N6G5p", "N6G5"],
+        "PDU": ["PDU", "PDU3", "PDU5p", "PDU5"],
+        "QBT": ["QBT", "QBT3", "QBT5p", "QBT5"],
+        "S6G": ["S6G", "S6G3", "S6G5p", "S6G5"],
+        "T39": ["T39", "T393", "T395p", "T395"],
+        "U36": ["U36", "U363", "U365p", "U365"],
+        "UF2": ["UF2", "UF23", "UF25p", "UF25"],
+        "UPE": ["UPE", "UPE3", "UPE5p", "UPE5"],
+        "USM": ["USM", "USM3", "USM5p", "USM5"],
+        "XB9": ["XB9", "XB93", "XB95p", "XB95"],
+        "Z": ["Z", "Z3", "Z5p", "Z5"],
+        "ZJS": ["ZJS", "ZJS3", "ZJS5p", "ZJS5"],
+        "125": ["125", "1253", "1255p", "1255"],
+        "1FC": ["1FC", "1FC3", "1FC5p", "1FC5"],
+        "2AU": ["2AU", "2AU3", "2AU5p", "2AU5"],
+        "4U3": ["4U3", "4U33", "4U35p", "4U35"],
+        "5EJ": ["5EJ", "5EJ3", "5EJ5p", "5EJ5"],
+        "5PC": ["5PC", "5PC3", "5PC5p", "5PC5"],
+        "6FM": ["6FM", "6FM3", "6FM5p", "6FM5"],
+        "7S3": ["7S3", "7S33", "7S35p", "7S35"],
+        "7SN": ["7SN", "7SN3", "7SN5p", "7SN5"],
+        "8FG": ["8FG", "8FG3", "8FG5p", "8FG5"],
+        "A47": ["A47", "A473", "A475p", "A475"],
+        "AET": ["AET", "AET3", "AET5p", "AET5"],
+        "AP7": ["AP7", "AP73", "AP75p", "AP75"],
+        "C34": ["C34", "C343", "C345p", "C345"],
+        "C5L": ["C5L", "C5L3", "C5L5p", "C5L5"],
+        "DZ": ["DZ", "DZ3", "DZ5p", "DZ5"],
+        "EAN": ["EAN", "EAN3", "EAN5p", "EAN5"],
+        "F4Q": ["F4Q", "F4Q3", "F4Q5p", "F4Q5"],
+        "G5J": ["G5J", "G5J3", "G5J5p"],
+        "GAO": ["GAO", "GAO3", "GAO5p", "GAO5"],
+        "IC": ["IC", "IC3", "IC5p", "IC5"],
+        "IG": ["IG", "IG3", "IG5p", "IG5"],
+        "KAG": ["KAG", "KAG3", "KAG5p", "KAG5"],
+        "M1G": ["M1G", "M1G3", "M1G5p", "M1G5"],
+        "MF7": ["MF7", "MF73", "MF75p", "MF75"],
+        "MMX": ["MMX", "MMX3", "MMX5p", "MMX5"],
+        "MNU": ["MNU", "MNU3", "MNU5p", "MNU5"],
+        "O2G": ["O2G", "O2G3", "O2G5p", "O2G5"],
+        "PVX": ["PVX", "PVX3", "PVX5p", "PVX5"],
+        "RDG": ["RDG", "RDG3", "RDG5p", "RDG5"],
+        "RY": ["RY", "RY3", "RY5p", "RY5"],
+        "TCJ": ["TCJ", "TCJ3", "TCJ5p", "TCJ5"],
+        "U31": ["U31", "U313", "U315p", "U315"],
+        "U5P": ["U5P", "U5P3", "U5P5p", "U5P5"],
+        "U7B": ["U7B", "U7B3", "U7B5p", "U7B5"],
+        "YCO": ["YCO", "YCO3", "YCO5p", "YCO5"],
+        "10C": ["10C", "10C3", "10C5p", "10C5"],
+        "18Q": ["18Q", "18Q3", "18Q5p", "18Q5"],
+        "2BT": ["2BT", "2BT3", "2BT5p", "2BT5"],
+        "2BU": ["2BU", "2BU3", "2BU5p", "2BU5"],
+        "2FI": ["2FI", "2FI3", "2FI5p", "2FI5"],
+        "2JU": ["2JU", "2JU3", "2JU5p", "2JU5"],
+        "3KA": ["3KA", "3KA3", "3KA5p", "3KA5"],
+        "3ZO": ["3ZO", "3ZO3", "3ZO5p", "3ZO5"],
+        "4E9": ["4E9", "4E93", "4E95p", "4E95"],
+        "4MF": ["4MF", "4MF3", "4MF5p", "4MF5"],
+        "5CF": ["5CF", "5CF3", "5CF5p", "5CF5"],
+        "5DB": ["5DB", "5DB3", "5DB5p", "5DB5"],
+        "63G": ["63G", "63G3", "63G5p", "63G5"],
+        "63H": ["63H", "63H3", "63H5p", "63H5"],
+        "6MI": ["6MI", "6MI3", "6MI5p", "6MI5"],
+        "8MG": ["8MG", "8MG3", "8MG5p", "8MG5"],
+        "8Y9": ["8Y9", "8Y93", "8Y95p", "8Y95"],
+        "9QV": ["9QV", "9QV3", "9QV5p", "9QV5"],
+        "A1H3G": ["A1H3G", "A1H3G3", "A1H3G5p", "A1H3G5"],
+        "A40": ["A40", "A403", "A405p", "A405"],
+        "A5O": ["A5O", "A5O3", "A5O5p", "A5O5"],
+        "AFG": ["AFG", "AFG3", "AFG5p", "AFG5"],
+        "ATL": ["ATL", "ATL3", "ATL5p", "ATL5"],
+        "C46": ["C46", "C463", "C465p", "C465"],
+        "C5P": ["C5P", "C5P3", "C5P5p", "C5P5"],
+        "DP": ["DP", "DP3", "DP5p", "DP5"],
+        "E1X": ["E1X", "E1X3", "E1X5p", "E1X5"],
+        "EIX": ["EIX", "EIX3", "EIX5p", "EIX5"],
+        "EWC": ["EWC", "EWC3", "EWC5p", "EWC5"],
+        "G3A": ["G3A"],
+        "GCP": ["GCP5p"],
+        "GRB": ["GRB", "GRB3", "GRB5p", "GRB5"],
+        "HN0": ["HN0", "HN03", "HN05p", "HN05"],
+        "IQG": ["IQG", "IQG3", "IQG5p", "IQG5"],
+        "LDG": ["LDG", "LDG3", "LDG5p", "LDG5"],
+        "LR6": ["LR6", "LR63", "LR65p", "LR65"],
+        "N2G": ["N2G", "N2G3", "N2G5p", "N2G5"],
+        "NF2": ["NF2", "NF23", "NF25p", "NF25"],
+        "O2Z": ["O2Z", "O2Z3", "O2Z5p", "O2Z5"],
+        "P2U": ["P2U", "P2U3", "P2U5p", "P2U5"],
+        "PBT": ["PBT", "PBT3", "PBT5p", "PBT5"],
+        "QCK": ["QCK", "QCK3", "QCK5p", "QCK5"],
+        "R": ["R", "R3", "R5p", "R5"],
+        "T5O": ["T5O", "T5O3", "T5O5p", "T5O5"],
+        "TDY": ["TDY", "TDY3", "TDY5p", "TDY5"],
+        "TM2": ["TM2", "TM23", "TM25p", "TM25"],
+        "TTM": ["TTM", "TTM3", "TTM5p", "TTM5"],
+        "U48": ["U48", "U483", "U485p", "U485"],
+        "UEL": ["UEL", "UEL3", "UEL5p", "UEL5"],
+        "UMC": ["UMC", "UMC3", "UMC5p", "UMC5"],
+        "US2": ["US2", "US23", "US25p", "US25"],
+        "VKJ": ["VKJ", "VKJ3", "VKJ5p", "VKJ5"],
+        "WUH": ["WUH5p"],
+        "X6H": ["X6H", "X6H3", "X6H5p", "X6H5"],
+        "XEC": ["XEC", "XEC3", "XEC5p", "XEC5"],
+        "XMP": ["XMP", "XMP3", "XMP5p", "XMP5"],
+        "ZDU": ["ZDU", "ZDU3", "ZDU5p", "ZDU5"],
+        "0AD": ["0AD", "0AD3", "0AD5p", "0AD5"],
+        "127": ["127", "1273", "1275p", "1275"],
+        "16B": ["16B", "16B3", "16B5p", "16B5"],
+        "1RN": ["1RN", "1RN3", "1RN5p", "1RN5"],
+        "1TL": ["1TL", "1TL3", "1TL5p", "1TL5"],
+        "2AT": ["2AT", "2AT3", "2AT5p", "2AT5"],
+        "2BD": ["2BD", "2BD3", "2BD5p", "2BD5"],
+        "2FE": ["2FE", "2FE3", "2FE5p", "2FE5"],
+        "2GT": ["2GT", "2GT3", "2GT5p", "2GT5"],
+        "2IA": ["2IA", "2IA3", "2IA5p", "2IA5"],
+        "2LA": ["2LA", "2LA3", "2LA5p", "2LA5"],
+        "2NT": ["2NT", "2NT3", "2NT5p", "2NT5"],
+        "2OT": ["2OT", "2OT3", "2OT5p", "2OT5"],
+        "3ME": ["3ME", "3ME3", "3ME5p", "3ME5"],
+        "47C": ["47C", "47C3", "47C5p", "47C5"],
+        "4EN": ["4EN", "4EN3", "4EN5p", "4EN5"],
+        "50L": ["50L", "50L3", "50L5p", "50L5"],
+        "50N": ["50N", "50N3", "50N5p", "50N5"],
+        "5FU": ["5FU", "5FU3", "5FU5p", "5FU5"],
+        "5IC": ["5IC", "5IC3", "5IC5p", "5IC5"],
+        "5JO": ["5JO", "5JO3", "5JO5p", "5JO5"],
+        "5NC": ["5NC", "5NC3", "5NC5p", "5NC5"],
+        "64P": ["64P", "64P3", "64P5p", "64P5"],
+        "6FK": ["6FK", "6FK3", "6FK5p", "6FK5"],
+        "6HB": ["6HB", "6HB3", "6HB5p", "6HB5"],
+        "6PO": ["6PO", "6PO3", "6PO5p", "6PO5"],
+        "77Y": ["77Y", "77Y3", "77Y5p", "77Y5"],
+        "7AT": ["7AT", "7AT3", "7AT5p", "7AT5"],
+        "7OK": ["7OK", "7OK3", "7OK5p", "7OK5"],
+        "84E": ["84E", "84E3", "84E5p", "84E5"],
+        "8AG": ["8AG", "8AG3", "8AG5p", "8AG5"],
+        "8DT": ["8DT", "8DT3", "8DT5p", "8DT5"],
+        "8PY": ["8PY", "8PY3", "8PY5p", "8PY5"],
+        "8XA": ["8XA", "8XA3", "8XA5p", "8XA5"],
+        "8XC": ["8XC", "8XC3", "8XC5p", "8XC5"],
+        "8XG": ["8XG", "8XG3", "8XG5p", "8XG5"],
+        "8XU": ["8XU", "8XU3", "8XU5p", "8XU5"],
+        "8YN": ["8YN", "8YN3", "8YN5p", "8YN5"],
+        "93D": ["93D", "93D3", "93D5p", "93D5"],
+        "94O": ["94O", "94O3", "94O5p", "94O5"],
+        "9SI": ["9SI", "9SI3", "9SI5p", "9SI5"],
+        "9SY": ["9SY", "9SY3", "9SY5p", "9SY5"],
+        "9V9": ["9V9", "9V93", "9V95p", "9V95"],
+        "A2P": ["A2P", "A2P3", "A2P5p", "A2P5"],
+        "A7E": ["A7E", "A7E3", "A7E5p", "A7E5"],
+        "ABR": ["ABR", "ABR3", "ABR5p", "ABR5"],
+        "ABS": ["ABS", "ABS3", "ABS5p", "ABS5"],
+        "AG9": ["AG9", "AG93", "AG95p", "AG95"],
+        "AT7": ["AT7", "AT73", "AT75p", "AT75"],
+        "BOE": ["BOE", "BOE3", "BOE5p", "BOE5"],
+        "C31": ["C31", "C313", "C315p", "C315"],
+        "C36": ["C36", "C363", "C365p", "C365"],
+        "CDW": ["CDW", "CDW3", "CDW5p", "CDW5"],
+        "CG1": ["CG15p"],
+        "CGY": ["CGY", "CGY3", "CGY5p", "CGY5"],
+        "CJ1": ["CJ1", "CJ13", "CJ15p", "CJ15"],
+        "CSM": ["CSM", "CSM3", "CSM5p", "CSM5"],
+        "D00": ["D00", "D003", "D005p", "D005"],
+        "DCM": ["DCM", "DCM3", "DCM5p", "DCM5"],
+        "DDN": ["DDN", "DDN3", "DDN5p", "DDN5"],
+        "DX": ["DX", "DX3", "DX5p", "DX5"],
+        "E": ["E", "E3", "E5p", "E5"],
+        "EDI": ["EDI", "EDI3", "EDI5p", "EDI5"],
+        "EHG": ["EHG", "EHG3", "EHG5p", "EHG5"],
+        "EIT": ["EIT", "EIT3", "EIT5p", "EIT5"],
+        "EQ0": ["EQ0", "EQ03", "EQ05p", "EQ05"],
+        "FDG": ["FDG", "FDG3", "FDG5p", "FDG5"],
+        "FMU": ["FMU", "FMU3", "FMU5p", "FMU5"],
+        "G2M": ["G2M", "G2M3", "G2M5p"],
+        "GCK": ["GCK", "GCK3", "GCK5p", "GCK5"],
+        "GMU": ["GMU", "GMU3", "GMU5p", "GMU5"],
+        "GMX": ["GMX", "GMX3", "GMX5p", "GMX5"],
+        "GN7": ["GN7", "GN73", "GN75p", "GN75"],
+        "GP3": ["GP3"],
+        "GSR": ["GSR", "GSR3", "GSR5p", "GSR5"],
+        "GSS": ["GSS", "GSS3", "GSS5p", "GSS5"],
+        "HEU": ["HEU", "HEU3", "HEU5p", "HEU5"],
+        "HYJ": ["HYJ", "HYJ3", "HYJ5p", "HYJ5"],
+        "IMP": ["IMP", "IMP3", "IMP5p", "IMP5"],
+        "J0X": ["J0X", "J0X3", "J0X5p", "J0X5"],
+        "J4T": ["J4T", "J4T3", "J4T5p", "J4T5"],
+        "JDT": ["JDT", "JDT3", "JDT5p", "JDT5"],
+        "JMC": ["JMC", "JMC3", "JMC5p", "JMC5"],
+        "LSH": ["LSH", "LSH3", "LSH5p", "LSH5"],
+        "LST": ["LST", "LST3", "LST5p", "LST5"],
+        "M1Y": ["M1Y", "M1Y3", "M1Y5p", "M1Y5"],
+        "M5M": ["M5M", "M5M3", "M5M5p", "M5M5"],
+        "MBZ": ["MBZ", "MBZ3", "MBZ5p", "MBZ5"],
+        "MDJ": ["MDJ", "MDJ3", "MDJ5p", "MDJ5"],
+        "MDK": ["MDK", "MDK3", "MDK5p", "MDK5"],
+        "MDQ": ["MDQ", "MDQ3", "MDQ5p", "MDQ5"],
+        "MDU": ["MDU", "MDU3", "MDU5p", "MDU5"],
+        "MDV": ["MDV", "MDV3", "MDV5p", "MDV5"],
+        "MFO": ["MFO", "MFO3", "MFO5p", "MFO5"],
+        "MFT": ["MFT", "MFT3", "MFT5p", "MFT5"],
+        "MGT": ["MGT5p"],
+        "MKX": ["MKX", "MKX3", "MKX5p", "MKX5"],
+        "MTR": ["MTR", "MTR3", "MTR5p", "MTR5"],
+        "N4S": ["N4S", "N4S3", "N4S5p", "N4S5"],
+        "N5I": ["N5I", "N5I3", "N5I5p", "N5I5"],
+        "N5M": ["N5M", "N5M3", "N5M5p", "N5M5"],
+        "NCU": ["NCU", "NCU3", "NCU5p", "NCU5"],
+        "NCX": ["NCX", "NCX3", "NCX5p", "NCX5"],
+        "NMS": ["NMS", "NMS3", "NMS5p", "NMS5"],
+        "NMT": ["NMT", "NMT3", "NMT5p", "NMT5"],
+        "NTT": ["NTT", "NTT3", "NTT5p", "NTT5"],
+        "OBX": ["OBX", "OBX3", "OBX5p", "OBX5"],
+        "OFC": ["OFC", "OFC3", "OFC5p", "OFC5"],
+        "OIQ": ["OIQ", "OIQ3", "OIQ5p", "OIQ5"],
+        "ONE": ["ONE", "ONE3", "ONE5p", "ONE5"],
+        "P2T": ["P2T", "P2T3", "P2T5p", "P2T5"],
+        "PPW": ["PPW", "PPW3", "PPW5p", "PPW5"],
+        "PQ1": ["PQ1", "PQ13", "PQ15p", "PQ15"],
+        "QGJ": ["QGJ", "QGJ3", "QGJ5p", "QGJ5"],
+        "QRV": ["QRV", "QRV3", "QRV5p", "QRV5"],
+        "RCE": ["RCE", "RCE3", "RCE5p", "RCE5"],
+        "S2M": ["S2M", "S2M3", "S2M5p", "S2M5"],
+        "S6M": ["S6M", "S6M3", "S6M5p", "S6M5"],
+        "SJO": ["SJO", "SJO3", "SJO5p", "SJO5"],
+        "SMT": ["SMT", "SMT3", "SMT5p", "SMT5"],
+        "T38": ["T38", "T383", "T385p", "T385"],
+        "T41": ["T41", "T413", "T415p", "T415"],
+        "TA3": ["TA3", "TA33", "TA35p", "TA35"],
+        "TC1": ["TC1", "TC13", "TC15p", "TC15"],
+        "TED": ["TED", "TED3", "TED5p", "TED5"],
+        "TFE": ["TFE", "TFE3", "TFE5p", "TFE5"],
+        "THX": ["THX", "THX3", "THX5p"],
+        "TJU": ["TJU", "TJU3", "TJU5p", "TJU5"],
+        "TLB": ["TLB", "TLB3", "TLB5p", "TLB5"],
+        "TLC": ["TLC", "TLC3", "TLC5p", "TLC5"],
+        "U4M": ["U4M", "U4M3", "U4M5p", "U4M5"],
+        "U5M": ["U5M", "U5M3", "U5M5p", "U5M5"],
+        "U5R": ["U5R", "U5R3", "U5R5p", "U5R5"],
+        "UBI": ["UBI", "UBI3", "UBI5p", "UBI5"],
+        "UFB": ["UFB", "UFB3", "UFB5p", "UFB5"],
+        "ULF": ["ULF", "ULF3", "ULF5p", "ULF5"],
+        "UMO": ["UMO", "UMO3", "UMO5p", "UMO5"],
+        "UMX": ["UMX", "UMX3", "UMX5p", "UMX5"],
+        "UOA": ["UOA", "UOA3", "UOA5p", "UOA5"],
+        "UOB": ["UOB", "UOB3", "UOB5p", "UOB5"],
+        "UPV": ["UPV", "UPV3", "UPV5p", "UPV5"],
+        "URX": ["URX", "URX3", "URX5p", "URX5"],
+        "UVX": ["UVX", "UVX3", "UVX5p", "UVX5"],
+        "UY4": ["UY4", "UY43", "UY45p", "UY45"],
+        "UZR": ["UZR", "UZR3", "UZR5p", "UZR5"],
+        "XAE": ["XAE", "XAE3", "XAE5p", "XAE5"],
+        "XC": ["XC", "XC3", "XC5p", "XC5"],
+        "XCS": ["XCS", "XCS3", "XCS5p", "XCS5"],
+        "XCY": ["XCY", "XCY3", "XCY5p", "XCY5"],
+        "XE6": ["XE6", "XE63", "XE65p", "XE65"],
+        "XFC": ["XFC", "XFC3", "XFC5p", "XFC5"],
+        "XGA": ["XGA", "XGA3", "XGA5p", "XGA5"],
+        "XNY": ["XNY", "XNY3", "XNY5p", "XNY5"],
+        "XPB": ["XPB", "XPB3", "XPB5p", "XPB5"],
+        "XTY": ["XTY", "XTY3", "XTY5p", "XTY5"],
+        "Y": ["Y", "Y3", "Y5p", "Y5"]
+    },
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+            "link_labels": {"31": "3-prime"}
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+            "link_labels": {"24": "5-prime", "29": "3-prime"}
+        },
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+            "link_labels": {"10": "5-prime"}
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+            "link_labels": {"30": "3-prime"}
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+            "link_labels": {"15": "5-prime"}
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+            "link_labels": {"35": "3-prime"}
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+            "link_labels": {"32": "3-prime"}
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+            "link_labels": {"21": "5-prime", "26": "3-prime"}
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+            "link_labels": {"28": "5-prime"}
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+            "link_labels": {"27": "3-prime"}
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+            "atom_name": ["H43", "O5'", "C5'", "H5'", "H5''", "C4'", "H4'", "O4'", "C1'", "H1'", "N1", "C2", "O2", "N3", "C4", "N4", "H41", "H42", "C5", "BR", "C6", "H6", "C2'", "H2'", "H2''", "C3'", "H3'", "O3'"],
+            "link_labels": {"27": "3-prime"}
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+            "link_labels": {"39": "5-prime", "44": "3-prime"}
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+            "link_labels": {"39": "5-prime"}
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+            "link_labels": {"45": "3-prime"}
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+            "link_labels": {"46": "3-prime"}
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+            "link_labels": {"28": "5-prime", "33": "3-prime"}
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+            "link_labels": {"28": "5-prime"}
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+            "atom_name": ["H13", "O2'", "C2'", "H4", "C1'", "H3", "N1", "C2", "O2", "N3", "C4", "N4", "H12", "C41", "H7", "H8", "H9", "C5", "H1", "C6", "H2", "O4'", "C4'", "H6", "C5'", "H10", "H11", "O5'", "P", "OP1", "OP2", "OP3", "C3'", "H5", "O3'"],
+            "link_labels": {"34": "3-prime"}
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+            "link_labels": {"31": "3-prime"}
+        },
+        "CBV": {
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+            "link_labels": {"25": "5-prime", "30": "3-prime"}
+        },
+        "CBV3": {
+            "smiles": "[H]OC1([H])C([H])(N2C(=O)N=C(N([H])[H])C(Br)=C2[H])OC([H])(C([H])([H])OP(=O)[O-])C1([H])O[H]",
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+            "link_labels": {"25": "5-prime"}
+        },
+        "CBV5p": {
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+            "atom_name": ["HO2'", "O2'", "C2'", "H2'", "C1'", "H1'", "N1", "C2", "O2", "N3", "C4", "N4", "HN41", "HN42", "C5", "BR", "C6", "H6", "O4'", "C4'", "H4'", "C5'", "H5'1", "H5'2", "O5'", "P", "O2P", "O3P", "O1P", "C3'", "H3'", "O3'"],
+            "link_labels": {"31": "3-prime"}
+        },
+        "CBV5": {
+            "smiles": "[H]OC([H])([H])C1([H])OC([H])(N2C(=O)N=C(N([H])[H])C(Br)=C2[H])C([H])(O[H])C1([H])O",
+            "atom_name": ["H7", "O5'", "C5'", "H5'1", "H5'2", "C4'", "H4'", "O4'", "C1'", "H1'", "N1", "C2", "O2", "N3", "C4", "N4", "HN41", "HN42", "C5", "BR", "C6", "H6", "C2'", "H2'", "O2'", "HO2'", "C3'", "H3'", "O3'"],
+            "link_labels": {"28": "3-prime"}
+        },
+        "3AU": {
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+            "atom_name": ["HO2'", "O2'", "C2'", "H2'", "C1'", "H1'", "N1", "C2", "O2", "N3", "C10", "H10", "H10A", "C11", "H11", "H11A", "C12", "H12", "C13", "O30", "O31", "N40", "HN40", "HN4A", "C4", "O4", "C5", "H5", "C6", "H6", "O4'", "C4'", "H4'", "C5'", "H5'", "H5'A", "O5'", "P", "OP1", "O11", "C3'", "H3'", "O3'"],
+            "link_labels": {"37": "5-prime", "42": "3-prime"}
+        },
+        "3AU3": {
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+            "atom_name": ["HO2'", "O2'", "C2'", "H2'", "C1'", "H1'", "N1", "C2", "O2", "N3", "C10", "H10", "H10A", "C11", "H11", "H11A", "C12", "H12", "C13", "O30", "O31", "N40", "HN40", "HN4A", "C4", "O4", "C5", "H5", "C6", "H6", "O4'", "C4'", "H4'", "C5'", "H5'", "H5'A", "O5'", "P", "OP1", "O11", "C3'", "H3'", "O3'", "HO3'"],
+            "link_labels": {"37": "5-prime"}
+        },
+        "3AU5p": {
+            "smiles": "[H]OC1([H])C([H])(N2C(=O)N(C([H])([H])C([H])([H])C([H])(C(=O)[O-])N([H])[H])C(=O)C([H])=C2[H])OC([H])(C([H])([H])OP(=O)([O-])[O-])C1([H])O",
+            "atom_name": ["HO2'", "O2'", "C2'", "H2'", "C1'", "H1'", "N1", "C2", "O2", "N3", "C10", "H10", "H10A", "C11", "H11", "H11A", "C12", "H12", "C13", "O30", "O31", "N40", "HN40", "HN4A", "C4", "O4", "C5", "H5", "C6", "H6", "O4'", "C4'", "H4'", "C5'", "H5'", "H5'A", "O5'", "P", "OP1", "OP2", "O11", "C3'", "H3'", "O3'"],
+            "link_labels": {"43": "3-prime"}
+        },
+        "3AU5": {
+            "smiles": "[H]OC([H])([H])C1([H])OC([H])(N2C(=O)N(C([H])([H])C([H])([H])C([H])(C(=O)[O-])N([H])[H])C(=O)C([H])=C2[H])C([H])(O[H])C1([H])O",
+            "atom_name": ["H13", "O5'", "C5'", "H5'", "H5'A", "C4'", "H4'", "O4'", "C1'", "H1'", "N1", "C2", "O2", "N3", "C10", "H10", "H10A", "C11", "H11", "H11A", "C12", "H12", "C13", "O30", "O31", "N40", "HN40", "HN4A", "C4", "O4", "C5", "H5", "C6", "H6", "C2'", "H2'", "O2'", "HO2'", "C3'", "H3'", "O3'"],
+            "link_labels": {"40": "3-prime"}
+        },
+        "5IU": {
+            "smiles": "[H]C1=C(I)C(=O)N([H])C(=O)N1C1([H])OC([H])(C([H])([H])OP(=O)[O-])C([H])(O)C1([H])[H]",
+            "atom_name": ["H6", "C6", "C5", "I5", "C4", "O4", "N3", "HN3", "C2", "O2", "N1", "C1'", "H1'", "O4'", "C4'", "H4'", "C5'", "H5'", "H5''", "O5'", "P", "OP1", "OP3", "C3'", "H3'", "O3'", "C2'", "H2'", "H2''"],
+            "link_labels": {"20": "5-prime", "25": "3-prime"}
+        },
+        "5IU3": {
+            "smiles": "[H]OC1([H])C([H])([H])C([H])(N2C(=O)N([H])C(=O)C(I)=C2[H])OC1([H])C([H])([H])OP(=O)[O-]",
+            "atom_name": ["HO3'", "O3'", "C3'", "H3'", "C2'", "H2'", "H2''", "C1'", "H1'", "N1", "C2", "O2", "N3", "HN3", "C4", "O4", "C5", "I5", "C6", "H6", "O4'", "C4'", "H4'", "C5'", "H5'", "H5''", "O5'", "P", "OP1", "OP3"],
+            "link_labels": {"27": "5-prime"}
+        },
+        "5IU5p": {
+            "smiles": "[H]C1=C(I)C(=O)N([H])C(=O)N1C1([H])OC([H])(C([H])([H])OP(=O)([O-])[O-])C([H])(O)C1([H])[H]",
+            "atom_name": ["H6", "C6", "C5", "I5", "C4", "O4", "N3", "HN3", "C2", "O2", "N1", "C1'", "H1'", "O4'", "C4'", "H4'", "C5'", "H5'", "H5''", "O5'", "P", "OP1", "OP2", "OP3", "C3'", "H3'", "O3'", "C2'", "H2'", "H2''"],
+            "link_labels": {"26": "3-prime"}
+        },
+        "5IU5": {
+            "smiles": "[H]OC([H])([H])C1([H])OC([H])(N2C(=O)N([H])C(=O)C(I)=C2[H])C([H])([H])C1([H])O",
+            "atom_name": ["H7", "O5'", "C5'", "H5'", "H5''", "C4'", "H4'", "O4'", "C1'", "H1'", "N1", "C2", "O2", "N3", "HN3", "C4", "O4", "C5", "I5", "C6", "H6", "C2'", "H2'", "H2''", "C3'", "H3'", "O3'"],
+            "link_labels": {"26": "3-prime"}
+        },
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+            "link_labels": {"43": "3-prime"}
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+            "link_labels": {"40": "3-prime"}
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+            "link_labels": {"35": "5-prime", "40": "3-prime"}
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+            "link_labels": {"35": "5-prime"}
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+            "link_labels": {"41": "3-prime"}
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+            "link_labels": {"38": "3-prime"}
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+            "link_labels": {"31": "5-prime", "36": "3-prime"}
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+            "link_labels": {"31": "5-prime"}
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+            "link_labels": {"37": "3-prime"}
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+            "link_labels": {"34": "3-prime"}
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+            "link_labels": {"32": "5-prime", "37": "3-prime"}
+        },
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+            "atom_name": ["H20", "O3'", "C3'", "H8", "C4'", "H14", "C5'", "H15", "H16", "O5'", "P", "OP1", "OP3", "O4'", "C1'", "H6", "N1", "C2", "O2", "N3", "C31", "H9", "H10", "C32", "H4", "H5", "C33", "H11", "H12", "H13", "C4", "H1", "N4", "H17", "H18", "C5", "H2", "C6", "H3", "C2'", "H7", "O2'", "C21", "H23", "H24", "H25"],
+            "link_labels": {"10": "5-prime"}
+        },
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+            "atom_name": ["H3", "C6", "C5", "H2", "C4", "H1", "N4", "H17", "H18", "N3", "C31", "H9", "H10", "C32", "H4", "H5", "C33", "H11", "H12", "H13", "C2", "O2", "N1", "C1'", "H6", "O4'", "C4'", "H14", "C5'", "H15", "H16", "O5'", "P", "OP1", "OP2", "OP3", "C3'", "H8", "O3'", "C2'", "H7", "O2'", "C21", "H23", "H24", "H25"],
+            "link_labels": {"38": "3-prime"}
+        },
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+            "atom_name": ["H26", "O5'", "C5'", "H15", "H16", "C4'", "H14", "O4'", "C1'", "H6", "N1", "C2", "O2", "N3", "C31", "H9", "H10", "C32", "H4", "H5", "C33", "H11", "H12", "H13", "C4", "H1", "N4", "H17", "H18", "C5", "H2", "C6", "H3", "C2'", "H7", "O2'", "C21", "H23", "H24", "H25", "C3'", "H8", "O3'"],
+            "link_labels": {"42": "3-prime"}
+        },
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+            "atom_name": ["H9", "N2", "H10", "C2", "N3", "C4", "C5", "C6", "O6", "N1", "H8", "N7", "C71", "O71", "C72", "H14", "H15", "H16", "C8", "H7", "H20", "N9", "C1'", "H1", "O4'", "C4'", "H4", "C5'", "H5", "H6", "O5'", "P", "OP1", "OP3", "C3'", "H3", "O3'", "C2'", "H2", "O2'", "C6'", "H17", "H18", "H19"],
+            "link_labels": {"31": "5-prime", "36": "3-prime"}
+        },
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+            "atom_name": ["H11", "O3'", "C3'", "H3", "C4'", "H4", "C5'", "H5", "H6", "O5'", "P", "OP1", "OP3", "O4'", "C1'", "H1", "N9", "C4", "C5", "C6", "O6", "N1", "H8", "C2", "N2", "H9", "H10", "N3", "N7", "C71", "O71", "C72", "H14", "H15", "H16", "C8", "H7", "H20", "C2'", "H2", "O2'", "C6'", "H17", "H18", "H19"],
+            "link_labels": {"10": "5-prime"}
+        },
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+            "atom_name": ["H9", "N2", "H10", "C2", "N3", "C4", "C5", "C6", "O6", "N1", "H8", "N7", "C71", "O71", "C72", "H14", "H15", "H16", "C8", "H7", "H20", "N9", "C1'", "H1", "O4'", "C4'", "H4", "C5'", "H5", "H6", "O5'", "P", "OP1", "OP2", "OP3", "C3'", "H3", "O3'", "C2'", "H2", "O2'", "C6'", "H17", "H18", "H19"],
+            "link_labels": {"37": "3-prime"}
+        },
+        "BGH5": {
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+            "atom_name": ["H21", "O5'", "C5'", "H5", "H6", "C4'", "H4", "O4'", "C1'", "H1", "N9", "C4", "C5", "C6", "O6", "N1", "H8", "C2", "N2", "H9", "H10", "N3", "N7", "C71", "O71", "C72", "H14", "H15", "H16", "C8", "H7", "H20", "C2'", "H2", "O2'", "C6'", "H17", "H18", "H19", "C3'", "H3", "O3'"],
+            "link_labels": {"41": "3-prime"}
+        },
+        "IGU": {
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+            "atom_name": ["H8", "C8", "N7", "C5", "C6", "N6", "HN61", "HN62", "N1", "HN1", "C2", "O2", "N3", "C4", "N9", "C1'", "H1'", "O4'", "C4'", "H4'", "C5'", "H5'", "H5''", "O5'", "P", "OP1", "OP3", "C3'", "H3'", "O3'", "C2'", "H2'", "H2''"],
+            "link_labels": {"24": "5-prime", "29": "3-prime"}
+        },
+        "IGU3": {
+            "smiles": "[H]OC1([H])C([H])([H])C([H])(N2C([H])=NC3=C(N([H])[H])N([H])C(=O)N=C32)OC1([H])C([H])([H])OP(=O)[O-]",
+            "atom_name": ["HO3'", "O3'", "C3'", "H3'", "C2'", "H2'", "H2''", "C1'", "H1'", "N9", "C8", "H8", "N7", "C5", "C6", "N6", "HN61", "HN62", "N1", "HN1", "C2", "O2", "N3", "C4", "O4'", "C4'", "H4'", "C5'", "H5'", "H5''", "O5'", "P", "OP1", "OP3"],
+            "link_labels": {"31": "5-prime"}
+        },
+        "IGU5p": {
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+            "atom_name": ["H8", "C8", "N7", "C5", "C6", "N6", "HN61", "HN62", "N1", "HN1", "C2", "O2", "N3", "C4", "N9", "C1'", "H1'", "O4'", "C4'", "H4'", "C5'", "H5'", "H5''", "O5'", "P", "OP1", "OP2", "OP3", "C3'", "H3'", "O3'", "C2'", "H2'", "H2''"],
+            "link_labels": {"30": "3-prime"}
+        },
+        "IGU5": {
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+            "atom_name": ["H9", "O5'", "C5'", "H5'", "H5''", "C4'", "H4'", "O4'", "C1'", "H1'", "N9", "C8", "H8", "N7", "C5", "C6", "N6", "HN61", "HN62", "N1", "HN1", "C2", "O2", "N3", "C4", "C2'", "H2'", "H2''", "C3'", "H3'", "O3'"],
+            "link_labels": {"30": "3-prime"}
+        },
+        "P4U": {
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+            "atom_name": ["H9", "O2'", "C2'", "H2", "C1'", "H1", "N1", "C2", "O2", "N3", "C4", "O4", "C41", "H13", "H14", "C42", "H15", "H16", "C43", "H17", "H18", "H19", "C5", "H5", "C6", "H8", "O4'", "C4'", "H4", "C5'", "H6", "H7", "O5'", "P", "OP1", "OP3", "C3'", "H3", "O3'"],
+            "link_labels": {"33": "5-prime", "38": "3-prime"}
+        },
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+            "atom_name": ["H9", "O2'", "C2'", "H2", "C1'", "H1", "N1", "C2", "O2", "N3", "C4", "O4", "C41", "H13", "H14", "C42", "H15", "H16", "C43", "H17", "H18", "H19", "C5", "H5", "C6", "H8", "O4'", "C4'", "H4", "C5'", "H6", "H7", "O5'", "P", "OP1", "OP3", "C3'", "H3", "O3'", "H10"],
+            "link_labels": {"33": "5-prime"}
+        },
+        "P4U5p": {
+            "smiles": "[H]OC1([H])C([H])(N2C(=O)N=C(OC([H])([H])C([H])([H])C([H])([H])[H])C([H])=C2[H])OC([H])(C([H])([H])OP(=O)([O-])[O-])C1([H])O",
+            "atom_name": ["H9", "O2'", "C2'", "H2", "C1'", "H1", "N1", "C2", "O2", "N3", "C4", "O4", "C41", "H13", "H14", "C42", "H15", "H16", "C43", "H17", "H18", "H19", "C5", "H5", "C6", "H8", "O4'", "C4'", "H4", "C5'", "H6", "H7", "O5'", "P", "OP1", "OP2", "OP3", "C3'", "H3", "O3'"],
+            "link_labels": {"39": "3-prime"}
+        },
+        "P4U5": {
+            "smiles": "[H]OC([H])([H])C1([H])OC([H])(N2C(=O)N=C(OC([H])([H])C([H])([H])C([H])([H])[H])C([H])=C2[H])C([H])(O[H])C1([H])O",
+            "atom_name": ["H20", "O5'", "C5'", "H6", "H7", "C4'", "H4", "O4'", "C1'", "H1", "N1", "C2", "O2", "N3", "C4", "O4", "C41", "H13", "H14", "C42", "H15", "H16", "C43", "H17", "H18", "H19", "C5", "H5", "C6", "H8", "C2'", "H2", "O2'", "H9", "C3'", "H3", "O3'"],
+            "link_labels": {"36": "3-prime"}
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+            "link_labels": {"14": "5-prime", "19": "3-prime"}
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+            "link_labels": {"20": "3-prime"}
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+            "link_labels": {"27": "3-prime"}
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+            "link_labels": {"14": "5-prime", "19": "3-prime"}
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+            "link_labels": {"14": "5-prime"}
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+            "link_labels": {"20": "3-prime"}
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+            "link_labels": {"33": "3-prime"}
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+            "link_labels": {"24": "5-prime", "29": "3-prime"}
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+            "link_labels": {"31": "5-prime"}
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+            "link_labels": {"30": "3-prime"}
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+            "link_labels": {"30": "3-prime"}
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+            "link_labels": {"31": "5-prime", "36": "3-prime"}
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+            "link_labels": {"38": "5-prime"}
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+            "link_labels": {"37": "3-prime"}
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+            "link_labels": {"49": "5-prime", "54": "3-prime"}
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+            "link_labels": {"52": "3-prime"}
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+            "link_labels": {"25": "5-prime", "30": "3-prime"}
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+            "link_labels": {"25": "5-prime"}
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+            "link_labels": {"31": "3-prime"}
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+            "link_labels": {"28": "3-prime"}
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+            "link_labels": {"14": "5-prime", "19": "3-prime"}
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+            "link_labels": {"28": "5-prime"}
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+            "link_labels": {"24": "5-prime", "29": "3-prime"}
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+            "link_labels": {"24": "5-prime"}
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+            "link_labels": {"20": "3-prime"}
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+            "link_labels": {"39": "3-prime"}
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+            "link_labels": {"24": "5-prime", "29": "3-prime"}
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+            "link_labels": {"24": "5-prime"}
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+            "link_labels": {"30": "3-prime"}
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+            "link_labels": {"19": "5-prime", "24": "3-prime"}
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+            "link_labels": {"25": "5-prime"}
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+            "link_labels": {"31": "3-prime"}
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+            "link_labels": {"28": "3-prime"}
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+            "link_labels": {"24": "5-prime", "29": "3-prime"}
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+            "link_labels": {"34": "5-prime"}
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+            "link_labels": {"40": "3-prime"}
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+            "atom_name": ["H17", "O06", "C05", "H3", "C07", "H4", "H5", "H6", "C04", "H2", "C02", "O01", "O03", "N08", "H14", "C09", "O29", "N6", "H15", "C6", "N1", "C2", "H1", "N3", "C4", "C5", "N7", "C8", "H13", "N9", "C1'", "H7", "O4'", "C4'", "H10", "C5'", "H11", "H12", "O5'", "P", "OP2", "OP3", "C3'", "H9", "O3'", "H19", "C2'", "H8", "O2'", "H18"],
+            "link_labels": {"39": "5-prime"}
+        },
+        "UY45p": {
+            "smiles": "[H]OC([H])(C([H])([H])[H])C([H])(C(=O)[O-])N([H])C(=O)N([H])C1=NC([H])=NC2=C1N=C([H])N2C1([H])OC([H])(C([H])([H])OP(=O)([O-])[O-])C([H])(O)C1([H])O[H]",
+            "atom_name": ["H17", "O06", "C05", "H3", "C07", "H4", "H5", "H6", "C04", "H2", "C02", "O01", "O03", "N08", "H14", "C09", "O29", "N6", "H15", "C6", "N1", "C2", "H1", "N3", "C4", "C5", "N7", "C8", "H13", "N9", "C1'", "H7", "O4'", "C4'", "H10", "C5'", "H11", "H12", "O5'", "P", "OP2", "OP1", "OP3", "C3'", "H9", "O3'", "C2'", "H8", "O2'", "H18"],
+            "link_labels": {"45": "3-prime"}
+        },
+        "UY45": {
+            "smiles": "[H]OC([H])([H])C1([H])OC([H])(N2C([H])=NC3=C2N=C([H])N=C3N([H])C(=O)N([H])C([H])(C(=O)[O-])C([H])(O[H])C([H])([H])[H])C([H])(O[H])C1([H])O",
+            "atom_name": ["H19", "O5'", "C5'", "H11", "H12", "C4'", "H10", "O4'", "C1'", "H7", "N9", "C8", "H13", "N7", "C5", "C4", "N3", "C2", "H1", "N1", "C6", "N6", "H15", "C09", "O29", "N08", "H14", "C04", "H2", "C02", "O01", "O03", "C05", "H3", "O06", "H17", "C07", "H4", "H5", "H6", "C2'", "H8", "O2'", "H18", "C3'", "H9", "O3'"],
+            "link_labels": {"46": "3-prime"}
+        },
+        "UZR": {
+            "smiles": "[H]N=[N+]=NC1([H])C([H])(N2C(=O)N([H])C(=O)C([H])=C2[H])OC([H])(C([H])([H])OP(=O)[O-])C1([H])O",
+            "atom_name": ["HN5'", "N5'", "N4'", "N3'", "C2'", "H2'", "C1'", "H1'", "N1", "C2", "O2", "N3", "H3", "C4", "O4", "C5", "H5", "C6", "H6", "O4'", "C4'", "H4'", "C5'", "H5'", "H5''", "O5'", "P", "OP1", "OP3", "C3'", "H3'", "O3'"],
+            "link_labels": {"26": "5-prime", "31": "3-prime"}
+        },
+        "UZR3": {
+            "smiles": "[H]N=[N+]=NC1([H])C([H])(N2C(=O)N([H])C(=O)C([H])=C2[H])OC([H])(C([H])([H])OP(=O)[O-])C1([H])O[H]",
+            "atom_name": ["HN5'", "N5'", "N4'", "N3'", "C2'", "H2'", "C1'", "H1'", "N1", "C2", "O2", "N3", "H3", "C4", "O4", "C5", "H5", "C6", "H6", "O4'", "C4'", "H4'", "C5'", "H5'", "H5''", "O5'", "P", "OP1", "OP3", "C3'", "H3'", "O3'", "HO3'"],
+            "link_labels": {"26": "5-prime"}
+        },
+        "UZR5p": {
+            "smiles": "[H]N=[N+]=NC1([H])C([H])(N2C(=O)N([H])C(=O)C([H])=C2[H])OC([H])(C([H])([H])OP(=O)([O-])[O-])C1([H])O",
+            "atom_name": ["HN5'", "N5'", "N4'", "N3'", "C2'", "H2'", "C1'", "H1'", "N1", "C2", "O2", "N3", "H3", "C4", "O4", "C5", "H5", "C6", "H6", "O4'", "C4'", "H4'", "C5'", "H5'", "H5''", "O5'", "P", "OP1", "OP2", "OP3", "C3'", "H3'", "O3'"],
+            "link_labels": {"32": "3-prime"}
+        },
+        "UZR5": {
+            "smiles": "[H]N=[N+]=NC1([H])C([H])(N2C(=O)N([H])C(=O)C([H])=C2[H])OC([H])(C([H])([H])O[H])C1([H])O",
+            "atom_name": ["HN5'", "N5'", "N4'", "N3'", "C2'", "H2'", "C1'", "H1'", "N1", "C2", "O2", "N3", "H3", "C4", "O4", "C5", "H5", "C6", "H6", "O4'", "C4'", "H4'", "C5'", "H5'", "H5''", "O5'", "H7", "C3'", "H3'", "O3'"],
+            "link_labels": {"29": "3-prime"}
+        },
+        "XAE": {
+            "smiles": "[H]C1=NC2=C([H])C3=C(N=C([H])N3C3([H])OC([H])(C([H])([H])OP(=O)[O-])C([H])(O)C3([H])[H])C([H])=C2C(N([H])[H])=N1",
+            "atom_name": ["H2", "C2", "N3", "C4", "CD", "HD", "C10", "C11", "N7", "C8", "H8", "N9", "C1'", "H1'", "O4'", "C4'", "H4'", "C5'", "H5'1", "H5'2", "O5'", "P", "OP2", "OP3", "C3'", "H3'", "O3'", "C2'", "H2'1", "H2'2", "CP", "HP", "C5", "C6", "N6", "HN61", "HN62", "N1"],
+            "link_labels": {"21": "5-prime", "26": "3-prime"}
+        },
+        "XAE3": {
+            "smiles": "[H]OC1([H])C([H])([H])C([H])(N2C([H])=NC3=C2C([H])=C2N=C([H])N=C(N([H])[H])C2=C3[H])OC1([H])C([H])([H])OP(=O)[O-]",
+            "atom_name": ["HO3'", "O3'", "C3'", "H3'", "C2'", "H2'1", "H2'2", "C1'", "H1'", "N9", "C8", "H8", "N7", "C11", "C10", "CD", "HD", "C4", "N3", "C2", "H2", "N1", "C6", "N6", "HN61", "HN62", "C5", "CP", "HP", "O4'", "C4'", "H4'", "C5'", "H5'1", "H5'2", "O5'", "P", "OP2", "OP3"],
+            "link_labels": {"36": "5-prime"}
+        },
+        "XAE5p": {
+            "smiles": "[H]C1=NC2=C([H])C3=C(N=C([H])N3C3([H])OC([H])(C([H])([H])OP(=O)([O-])[O-])C([H])(O)C3([H])[H])C([H])=C2C(N([H])[H])=N1",
+            "atom_name": ["H2", "C2", "N3", "C4", "CD", "HD", "C10", "C11", "N7", "C8", "H8", "N9", "C1'", "H1'", "O4'", "C4'", "H4'", "C5'", "H5'1", "H5'2", "O5'", "P", "OP2", "OP1", "OP3", "C3'", "H3'", "O3'", "C2'", "H2'1", "H2'2", "CP", "HP", "C5", "C6", "N6", "HN61", "HN62", "N1"],
+            "link_labels": {"27": "3-prime"}
+        },
+        "XAE5": {
+            "smiles": "[H]OC([H])([H])C1([H])OC([H])(N2C([H])=NC3=C2C([H])=C2N=C([H])N=C(N([H])[H])C2=C3[H])C([H])([H])C1([H])O",
+            "atom_name": ["H9", "O5'", "C5'", "H5'1", "H5'2", "C4'", "H4'", "O4'", "C1'", "H1'", "N9", "C8", "H8", "N7", "C11", "C10", "CD", "HD", "C4", "N3", "C2", "H2", "N1", "C6", "N6", "HN61", "HN62", "C5", "CP", "HP", "C2'", "H2'1", "H2'2", "C3'", "H3'", "O3'"],
+            "link_labels": {"35": "3-prime"}
+        },
+        "XC": {
+            "smiles": "[H]N([H])C1=NC(=O)N(C2([H])OC([H])(C([H])([H])OP(=O)[O-])C([H])(O)C2([H])[H])C([H])([H])C1([H])[H]",
+            "atom_name": ["H41", "N4", "H42", "C4", "N3", "C2", "O2", "N1", "C1'", "H1'", "O4'", "C4'", "H4'", "C5'", "H5'2", "H5'1", "O5'", "P", "O1P", "O1", "C3'", "H3'", "O3'", "C2'", "H2'2", "H2'1", "C6", "H6", "H2", "C5", "H3", "H5"],
+            "link_labels": {"17": "5-prime", "22": "3-prime"}
+        },
+        "XC3": {
+            "smiles": "[H]OC1([H])C([H])([H])C([H])(N2C(=O)N=C(N([H])[H])C([H])([H])C2([H])[H])OC1([H])C([H])([H])OP(=O)[O-]",
+            "atom_name": ["H4", "O3'", "C3'", "H3'", "C2'", "H2'2", "H2'1", "C1'", "H1'", "N1", "C2", "O2", "N3", "C4", "N4", "H41", "H42", "C5", "H3", "H5", "C6", "H6", "H2", "O4'", "C4'", "H4'", "C5'", "H5'2", "H5'1", "O5'", "P", "O1P", "O1"],
+            "link_labels": {"30": "5-prime"}
+        },
+        "XC5p": {
+            "smiles": "[H]N([H])C1=NC(=O)N(C2([H])OC([H])(C([H])([H])OP(=O)([O-])[O-])C([H])(O)C2([H])[H])C([H])([H])C1([H])[H]",
+            "atom_name": ["H41", "N4", "H42", "C4", "N3", "C2", "O2", "N1", "C1'", "H1'", "O4'", "C4'", "H4'", "C5'", "H5'2", "H5'1", "O5'", "P", "O1P", "O2P", "O1", "C3'", "H3'", "O3'", "C2'", "H2'2", "H2'1", "C6", "H6", "H2", "C5", "H3", "H5"],
+            "link_labels": {"23": "3-prime"}
+        },
+        "XC5": {
+            "smiles": "[H]OC([H])([H])C1([H])OC([H])(N2C(=O)N=C(N([H])[H])C([H])([H])C2([H])[H])C([H])([H])C1([H])O",
+            "atom_name": ["H43", "O5'", "C5'", "H5'2", "H5'1", "C4'", "H4'", "O4'", "C1'", "H1'", "N1", "C2", "O2", "N3", "C4", "N4", "H41", "H42", "C5", "H3", "H5", "C6", "H6", "H2", "C2'", "H2'2", "H2'1", "C3'", "H3'", "O3'"],
+            "link_labels": {"29": "3-prime"}
+        },
+        "XCS": {
+            "smiles": "[H]C1=C(C([H])([H])[H])C([H])=C(C2([H])OC([H])(C([H])([H])OP(=O)[O-])C([H])(O)C2([H])[H])C2=C1C(N([H])[H])=NC(=O)N2[H]",
+            "atom_name": ["HP", "CP", "C7", "C7A", "H7A1", "H7A2", "H7A3", "CD", "HD", "C8", "C1'", "H1'", "O4'", "C4'", "H4'", "C5'", "H5'1", "H5'2", "O5'", "P", "OP2", "OP3", "C3'", "H3'", "O3'", "C2'", "H2'1", "H2'2", "C6", "C5", "C4", "N4", "HN41", "HN42", "N3", "C2", "O2", "ND", "HND"],
+            "link_labels": {"19": "5-prime", "24": "3-prime"}
+        },
+        "XCS3": {
+            "smiles": "[H]OC1([H])C([H])([H])C([H])(C2=C([H])C(C([H])([H])[H])=C([H])C3=C2N([H])C(=O)N=C3N([H])[H])OC1([H])C([H])([H])OP(=O)[O-]",
+            "atom_name": ["HO3'", "O3'", "C3'", "H3'", "C2'", "H2'1", "H2'2", "C1'", "H1'", "C8", "CD", "HD", "C7", "C7A", "H7A1", "H7A2", "H7A3", "CP", "HP", "C5", "C6", "ND", "HND", "C2", "O2", "N3", "C4", "N4", "HN41", "HN42", "O4'", "C4'", "H4'", "C5'", "H5'1", "H5'2", "O5'", "P", "OP2", "OP3"],
+            "link_labels": {"37": "5-prime"}
+        },
+        "XCS5p": {
+            "smiles": "[H]C1=C(C([H])([H])[H])C([H])=C(C2([H])OC([H])(C([H])([H])OP(=O)([O-])[O-])C([H])(O)C2([H])[H])C2=C1C(N([H])[H])=NC(=O)N2[H]",
+            "atom_name": ["HP", "CP", "C7", "C7A", "H7A1", "H7A2", "H7A3", "CD", "HD", "C8", "C1'", "H1'", "O4'", "C4'", "H4'", "C5'", "H5'1", "H5'2", "O5'", "P", "OP2", "OP1", "OP3", "C3'", "H3'", "O3'", "C2'", "H2'1", "H2'2", "C6", "C5", "C4", "N4", "HN41", "HN42", "N3", "C2", "O2", "ND", "HND"],
+            "link_labels": {"25": "3-prime"}
+        },
+        "XCS5": {
+            "smiles": "[H]OC([H])([H])C1([H])OC([H])(C2=C([H])C(C([H])([H])[H])=C([H])C3=C2N([H])C(=O)N=C3N([H])[H])C([H])([H])C1([H])O",
+            "atom_name": ["H1", "O5'", "C5'", "H5'1", "H5'2", "C4'", "H4'", "O4'", "C1'", "H1'", "C8", "CD", "HD", "C7", "C7A", "H7A1", "H7A2", "H7A3", "CP", "HP", "C5", "C6", "ND", "HND", "C2", "O2", "N3", "C4", "N4", "HN41", "HN42", "C2'", "H2'1", "H2'2", "C3'", "H3'", "O3'"],
+            "link_labels": {"36": "3-prime"}
+        },
+        "XCY": {
+            "smiles": "[H]C1=C([H])C(C([H])([H])N([H])C2=NC(=O)N(C3([H])OC([H])(C([H])([H])OP(=O)[O-])C([H])(O)C3([H])[H])C([H])=C2[H])=C([H])C([H])=C1C([H])([H])N([H])[H]",
+            "atom_name": ["HD2", "CD2", "CE2", "HE2", "CZ", "CH", "HH1", "HH2", "N4", "HN4", "C4", "N3", "C2", "O2", "N1", "C1'", "H1'", "O4'", "C4'", "H4'", "C5'", "H5'", "H5''", "O5'", "P", "OP1", "OP2", "C3'", "H3'", "O3'", "C2'", "H2'", "H2''", "C6", "H6", "C5", "H5", "CE1", "HE1", "CD1", "HD1", "CG", "CB", "HB1", "HB2", "NZ", "HNZ1", "HNZ2"],
+            "link_labels": {"24": "5-prime", "29": "3-prime"}
+        },
+        "XCY3": {
+            "smiles": "[H]OC1([H])C([H])([H])C([H])(N2C(=O)N=C(N([H])C([H])([H])C3=C([H])C([H])=C(C([H])([H])N([H])[H])C([H])=C3[H])C([H])=C2[H])OC1([H])C([H])([H])OP(=O)[O-]",
+            "atom_name": ["HO3'", "O3'", "C3'", "H3'", "C2'", "H2'", "H2''", "C1'", "H1'", "N1", "C2", "O2", "N3", "C4", "N4", "HN4", "CH", "HH1", "HH2", "CZ", "CE1", "HE1", "CD1", "HD1", "CG", "CB", "HB1", "HB2", "NZ", "HNZ1", "HNZ2", "CD2", "HD2", "CE2", "HE2", "C5", "H5", "C6", "H6", "O4'", "C4'", "H4'", "C5'", "H5'", "H5''", "O5'", "P", "OP1", "OP2"],
+            "link_labels": {"46": "5-prime"}
+        },
+        "XCY5p": {
+            "smiles": "[H]C1=C([H])C(C([H])([H])N([H])C2=NC(=O)N(C3([H])OC([H])(C([H])([H])OP(=O)([O-])[O-])C([H])(O)C3([H])[H])C([H])=C2[H])=C([H])C([H])=C1C([H])([H])N([H])[H]",
+            "atom_name": ["HD2", "CD2", "CE2", "HE2", "CZ", "CH", "HH1", "HH2", "N4", "HN4", "C4", "N3", "C2", "O2", "N1", "C1'", "H1'", "O4'", "C4'", "H4'", "C5'", "H5'", "H5''", "O5'", "P", "OP1", "OP3", "OP2", "C3'", "H3'", "O3'", "C2'", "H2'", "H2''", "C6", "H6", "C5", "H5", "CE1", "HE1", "CD1", "HD1", "CG", "CB", "HB1", "HB2", "NZ", "HNZ1", "HNZ2"],
+            "link_labels": {"30": "3-prime"}
+        },
+        "XCY5": {
+            "smiles": "[H]OC([H])([H])C1([H])OC([H])(N2C(=O)N=C(N([H])C([H])([H])C3=C([H])C([H])=C(C([H])([H])N([H])[H])C([H])=C3[H])C([H])=C2[H])C([H])([H])C1([H])O",
+            "atom_name": ["H7", "O5'", "C5'", "H5'", "H5''", "C4'", "H4'", "O4'", "C1'", "H1'", "N1", "C2", "O2", "N3", "C4", "N4", "HN4", "CH", "HH1", "HH2", "CZ", "CE1", "HE1", "CD1", "HD1", "CG", "CB", "HB1", "HB2", "NZ", "HNZ1", "HNZ2", "CD2", "HD2", "CE2", "HE2", "C5", "H5", "C6", "H6", "C2'", "H2'", "H2''", "C3'", "H3'", "O3'"],
+            "link_labels": {"45": "3-prime"}
+        },
+        "XE6": {
+            "smiles": "[H]C1=C([H])N(C2([H])OC([H])(C([H])([H])OP(=O)[O-])C([H])(O)C2([H])OC([H])([H])[H])C(=O)N=C1N([H])[H]",
+            "atom_name": ["H3", "C5", "C6", "H4", "N1", "C1'", "H5", "O4'", "C4'", "H6", "C5'", "H7", "H8", "O5'", "P", "OP1", "OP3", "C3'", "H11", "O3'", "C2'", "H13", "O2'", "C22", "H14", "H15", "H16", "C2", "O2", "N3", "C4", "N4", "H1", "H2"],
+            "link_labels": {"14": "5-prime", "19": "3-prime"}
+        },
+        "XE63": {
+            "smiles": "[H]OC1([H])C([H])(C([H])([H])OP(=O)[O-])OC([H])(N2C(=O)N=C(N([H])[H])C([H])=C2[H])C1([H])OC([H])([H])[H]",
+            "atom_name": ["H12", "O3'", "C3'", "H11", "C4'", "H6", "C5'", "H7", "H8", "O5'", "P", "OP1", "OP3", "O4'", "C1'", "H5", "N1", "C2", "O2", "N3", "C4", "N4", "H1", "H2", "C5", "H3", "C6", "H4", "C2'", "H13", "O2'", "C22", "H14", "H15", "H16"],
+            "link_labels": {"10": "5-prime"}
+        },
+        "XE65p": {
+            "smiles": "[H]C1=C([H])N(C2([H])OC([H])(C([H])([H])OP(=O)([O-])[O-])C([H])(O)C2([H])OC([H])([H])[H])C(=O)N=C1N([H])[H]",
+            "atom_name": ["H3", "C5", "C6", "H4", "N1", "C1'", "H5", "O4'", "C4'", "H6", "C5'", "H7", "H8", "O5'", "P", "OP1", "OP2", "OP3", "C3'", "H11", "O3'", "C2'", "H13", "O2'", "C22", "H14", "H15", "H16", "C2", "O2", "N3", "C4", "N4", "H1", "H2"],
+            "link_labels": {"20": "3-prime"}
+        },
+        "XE65": {
+            "smiles": "[H]OC([H])([H])C1([H])OC([H])(N2C(=O)N=C(N([H])[H])C([H])=C2[H])C([H])(OC([H])([H])[H])C1([H])O",
+            "atom_name": ["H17", "O5'", "C5'", "H7", "H8", "C4'", "H6", "O4'", "C1'", "H5", "N1", "C2", "O2", "N3", "C4", "N4", "H1", "H2", "C5", "H3", "C6", "H4", "C2'", "H13", "O2'", "C22", "H14", "H15", "H16", "C3'", "H11", "O3'"],
+            "link_labels": {"31": "3-prime"}
+        },
+        "XFC": {
+            "smiles": "[H]C(=O)C1=C([H])N(C2([H])OC([H])(C([H])([H])OP(=O)[O-])C([H])(O)C2([H])F)C(=O)N=C1N([H])[H]",
+            "atom_name": ["H9", "C5A", "O5A", "C5", "C6", "H8", "N1", "C1'", "H5", "O4'", "C4'", "H4", "C5'", "H2", "H3", "O5'", "P", "OP2", "O1", "C3'", "H10", "O3'", "C2'", "H11", "F2'", "C2", "O2", "N3", "C4", "N4", "H6", "H7"],
+            "link_labels": {"16": "5-prime", "21": "3-prime"}
+        },
+        "XFC3": {
+            "smiles": "[H]OC1([H])C([H])(F)C([H])(N2C(=O)N=C(N([H])[H])C(C([H])=O)=C2[H])OC1([H])C([H])([H])OP(=O)[O-]",
+            "atom_name": ["H12", "O3'", "C3'", "H10", "C2'", "H11", "F2'", "C1'", "H5", "N1", "C2", "O2", "N3", "C4", "N4", "H6", "H7", "C5", "C5A", "H9", "O5A", "C6", "H8", "O4'", "C4'", "H4", "C5'", "H2", "H3", "O5'", "P", "OP2", "O1"],
+            "link_labels": {"30": "5-prime"}
+        },
+        "XFC5p": {
+            "smiles": "[H]C(=O)C1=C([H])N(C2([H])OC([H])(C([H])([H])OP(=O)([O-])[O-])C([H])(O)C2([H])F)C(=O)N=C1N([H])[H]",
+            "atom_name": ["H9", "C5A", "O5A", "C5", "C6", "H8", "N1", "C1'", "H5", "O4'", "C4'", "H4", "C5'", "H2", "H3", "O5'", "P", "OP2", "OP1", "O1", "C3'", "H10", "O3'", "C2'", "H11", "F2'", "C2", "O2", "N3", "C4", "N4", "H6", "H7"],
+            "link_labels": {"22": "3-prime"}
+        },
+        "XFC5": {
+            "smiles": "[H]OC([H])([H])C1([H])OC([H])(N2C(=O)N=C(N([H])[H])C(C([H])=O)=C2[H])C([H])(F)C1([H])O",
+            "atom_name": ["H12", "O5'", "C5'", "H2", "H3", "C4'", "H4", "O4'", "C1'", "H5", "N1", "C2", "O2", "N3", "C4", "N4", "H6", "H7", "C5", "C5A", "H9", "O5A", "C6", "H8", "C2'", "H11", "F2'", "C3'", "H10", "O3'"],
+            "link_labels": {"29": "3-prime"}
+        },
+        "XGA": {
+            "smiles": "[H]C1=NC2=C([H])C3=C(N=C(N([H])[H])N([H])C3=O)C([H])=C2N1C1([H])OC([H])(C([H])([H])OP(=O)[O-])C([H])(O)C1([H])[H]",
+            "atom_name": ["H8", "C8", "N7", "C11", "CP", "HP", "C5", "C4", "N3", "C2", "N2", "HN21", "HN22", "N1", "HN1", "C6", "O6", "CD", "HD", "C10", "N9", "C1'", "H1'", "O4'", "C4'", "H4'", "C5'", "H5'1", "H5'2", "O5'", "P", "OP2", "OP3", "C3'", "H3'", "O3'", "C2'", "H2'1", "H2'2"],
+            "link_labels": {"30": "5-prime", "35": "3-prime"}
+        },
+        "XGA3": {
+            "smiles": "[H]OC1([H])C([H])([H])C([H])(N2C([H])=NC3=C([H])C4=C(N=C(N([H])[H])N([H])C4=O)C([H])=C32)OC1([H])C([H])([H])OP(=O)[O-]",
+            "atom_name": ["HO3'", "O3'", "C3'", "H3'", "C2'", "H2'1", "H2'2", "C1'", "H1'", "N9", "C8", "H8", "N7", "C11", "CP", "HP", "C5", "C4", "N3", "C2", "N2", "HN21", "HN22", "N1", "HN1", "C6", "O6", "CD", "HD", "C10", "O4'", "C4'", "H4'", "C5'", "H5'1", "H5'2", "O5'", "P", "OP2", "OP3"],
+            "link_labels": {"37": "5-prime"}
+        },
+        "XGA5p": {
+            "smiles": "[H]C1=NC2=C([H])C3=C(N=C(N([H])[H])N([H])C3=O)C([H])=C2N1C1([H])OC([H])(C([H])([H])OP(=O)([O-])[O-])C([H])(O)C1([H])[H]",
+            "atom_name": ["H8", "C8", "N7", "C11", "CP", "HP", "C5", "C4", "N3", "C2", "N2", "HN21", "HN22", "N1", "HN1", "C6", "O6", "CD", "HD", "C10", "N9", "C1'", "H1'", "O4'", "C4'", "H4'", "C5'", "H5'1", "H5'2", "O5'", "P", "OP2", "OP1", "OP3", "C3'", "H3'", "O3'", "C2'", "H2'1", "H2'2"],
+            "link_labels": {"36": "3-prime"}
+        },
+        "XGA5": {
+            "smiles": "[H]OC([H])([H])C1([H])OC([H])(N2C([H])=NC3=C([H])C4=C(N=C(N([H])[H])N([H])C4=O)C([H])=C32)C([H])([H])C1([H])O",
+            "atom_name": ["H9", "O5'", "C5'", "H5'1", "H5'2", "C4'", "H4'", "O4'", "C1'", "H1'", "N9", "C8", "H8", "N7", "C11", "CP", "HP", "C5", "C4", "N3", "C2", "N2", "HN21", "HN22", "N1", "HN1", "C6", "O6", "CD", "HD", "C10", "C2'", "H2'1", "H2'2", "C3'", "H3'", "O3'"],
+            "link_labels": {"36": "3-prime"}
+        },
+        "XNY": {
+            "smiles": "[H]OC1([H])C([H])(N2C([H])=NC3=C2C([H])=C([H])N=C3N([H])[H])OC([H])(C([H])([H])OP(=O)[O-])C1([H])O",
+            "atom_name": ["HO2'", "O2'", "C2'", "H2'", "C1'", "H1'", "N9", "C8", "H8", "N7", "C5", "C4", "C3", "H3", "C2", "H2", "N1", "C6", "N6", "H61", "H62", "O4'", "C4'", "H4'", "C5'", "H5'", "H5''", "O5'", "P", "OP1", "OP3", "C3'", "H3'", "O3'"],
+            "link_labels": {"28": "5-prime", "33": "3-prime"}
+        },
+        "XNY3": {
+            "smiles": "[H]OC1([H])C([H])(N2C([H])=NC3=C2C([H])=C([H])N=C3N([H])[H])OC([H])(C([H])([H])OP(=O)[O-])C1([H])O[H]",
+            "atom_name": ["HO2'", "O2'", "C2'", "H2'", "C1'", "H1'", "N9", "C8", "H8", "N7", "C5", "C4", "C3", "H3", "C2", "H2", "N1", "C6", "N6", "H61", "H62", "O4'", "C4'", "H4'", "C5'", "H5'", "H5''", "O5'", "P", "OP1", "OP3", "C3'", "H3'", "O3'", "HO3'"],
+            "link_labels": {"28": "5-prime"}
+        },
+        "XNY5p": {
+            "smiles": "[H]OC1([H])C([H])(N2C([H])=NC3=C2C([H])=C([H])N=C3N([H])[H])OC([H])(C([H])([H])OP(=O)([O-])[O-])C1([H])O",
+            "atom_name": ["HO2'", "O2'", "C2'", "H2'", "C1'", "H1'", "N9", "C8", "H8", "N7", "C5", "C4", "C3", "H3", "C2", "H2", "N1", "C6", "N6", "H61", "H62", "O4'", "C4'", "H4'", "C5'", "H5'", "H5''", "O5'", "P", "OP1", "OP2", "OP3", "C3'", "H3'", "O3'"],
+            "link_labels": {"34": "3-prime"}
+        },
+        "XNY5": {
+            "smiles": "[H]OC([H])([H])C1([H])OC([H])(N2C([H])=NC3=C2C([H])=C([H])N=C3N([H])[H])C([H])(O[H])C1([H])O",
+            "atom_name": ["H63", "O5'", "C5'", "H5'", "H5''", "C4'", "H4'", "O4'", "C1'", "H1'", "N9", "C8", "H8", "N7", "C5", "C4", "C3", "H3", "C2", "H2", "N1", "C6", "N6", "H61", "H62", "C2'", "H2'", "O2'", "HO2'", "C3'", "H3'", "O3'"],
+            "link_labels": {"31": "3-prime"}
+        },
+        "XPB": {
+            "smiles": "[H]C1=NC([H])=C([H])C([H])=C1C(=O)C([H])([H])C([H])([H])C([H])([H])OC1=NC(N([H])[H])=NC2=C1N=C([H])N2C1([H])OC([H])(C([H])([H])OP(=O)[O-])C([H])(O)C1([H])[H]",
+            "atom_name": ["H18", "C18", "N1'", "C17", "H17", "C16", "H16", "C15", "H15", "C14", "C13", "O13", "C12", "H12", "H13", "C11", "H11", "H9", "C10", "H10", "H7", "O6", "C6", "N1", "C2", "N2", "H22", "H21", "N3", "C4", "C5", "N7", "C8", "H8", "N9", "C1'", "H1'", "O4'", "C4'", "H4'", "C5'", "H5'", "H5''", "O5'", "P", "OP1", "OP3", "C3'", "H3'", "O3'", "C2'", "H2''", "H2'"],
+            "link_labels": {"44": "5-prime", "49": "3-prime"}
+        },
+        "XPB3": {
+            "smiles": "[H]OC1([H])C([H])([H])C([H])(N2C([H])=NC3=C2N=C(N([H])[H])N=C3OC([H])([H])C([H])([H])C([H])([H])C(=O)C2=C([H])C([H])=C([H])N=C2[H])OC1([H])C([H])([H])OP(=O)[O-]",
+            "atom_name": ["H3", "O3'", "C3'", "H3'", "C2'", "H2''", "H2'", "C1'", "H1'", "N9", "C8", "H8", "N7", "C5", "C4", "N3", "C2", "N2", "H22", "H21", "N1", "C6", "O6", "C10", "H10", "H7", "C11", "H11", "H9", "C12", "H12", "H13", "C13", "O13", "C14", "C15", "H15", "C16", "H16", "C17", "H17", "N1'", "C18", "H18", "O4'", "C4'", "H4'", "C5'", "H5'", "H5''", "O5'", "P", "OP1", "OP3"],
+            "link_labels": {"51": "5-prime"}
+        },
+        "XPB5p": {
+            "smiles": "[H]C1=NC([H])=C([H])C([H])=C1C(=O)C([H])([H])C([H])([H])C([H])([H])OC1=NC(N([H])[H])=NC2=C1N=C([H])N2C1([H])OC([H])(C([H])([H])OP(=O)([O-])[O-])C([H])(O)C1([H])[H]",
+            "atom_name": ["H18", "C18", "N1'", "C17", "H17", "C16", "H16", "C15", "H15", "C14", "C13", "O13", "C12", "H12", "H13", "C11", "H11", "H9", "C10", "H10", "H7", "O6", "C6", "N1", "C2", "N2", "H22", "H21", "N3", "C4", "C5", "N7", "C8", "H8", "N9", "C1'", "H1'", "O4'", "C4'", "H4'", "C5'", "H5'", "H5''", "O5'", "P", "OP1", "OP2", "OP3", "C3'", "H3'", "O3'", "C2'", "H2''", "H2'"],
+            "link_labels": {"50": "3-prime"}
+        },
+        "XPB5": {
+            "smiles": "[H]OC([H])([H])C1([H])OC([H])(N2C([H])=NC3=C2N=C(N([H])[H])N=C3OC([H])([H])C([H])([H])C([H])([H])C(=O)C2=C([H])C([H])=C([H])N=C2[H])C([H])([H])C1([H])O",
+            "atom_name": ["H23", "O5'", "C5'", "H5'", "H5''", "C4'", "H4'", "O4'", "C1'", "H1'", "N9", "C8", "H8", "N7", "C5", "C4", "N3", "C2", "N2", "H22", "H21", "N1", "C6", "O6", "C10", "H10", "H7", "C11", "H11", "H9", "C12", "H12", "H13", "C13", "O13", "C14", "C15", "H15", "C16", "H16", "C17", "H17", "N1'", "C18", "H18", "C2'", "H2''", "H2'", "C3'", "H3'", "O3'"],
+            "link_labels": {"50": "3-prime"}
+        },
+        "XTY": {
+            "smiles": "[H]C1=C2C(=O)N([H])C(=O)N([H])C2=C(C2([H])OC([H])(C([H])([H])OP(=O)[O-])C([H])(O)C2([H])[H])C([H])=C1C([H])([H])[H]",
+            "atom_name": ["HP", "CP", "C5", "C4", "O4", "N3", "HN3", "C2", "O2", "N", "HN", "C6", "C8", "C1'", "H1'", "O4'", "C4'", "H4'", "C5'", "H5'1", "H5'2", "O5'", "P", "OP2", "OP3", "C3'", "H3'", "O3'", "C2'", "H2'1", "H2'2", "CD", "HD", "C7", "C7A", "H7A1", "H7A2", "H7A3"],
+            "link_labels": {"22": "5-prime", "27": "3-prime"}
+        },
+        "XTY3": {
+            "smiles": "[H]OC1([H])C([H])([H])C([H])(C2=C3C(=C([H])C(C([H])([H])[H])=C2[H])C(=O)N([H])C(=O)N3[H])OC1([H])C([H])([H])OP(=O)[O-]",
+            "atom_name": ["HO3'", "O3'", "C3'", "H3'", "C2'", "H2'1", "H2'2", "C1'", "H1'", "C8", "C6", "C5", "CP", "HP", "C7", "C7A", "H7A1", "H7A2", "H7A3", "CD", "HD", "C4", "O4", "N3", "HN3", "C2", "O2", "N", "HN", "O4'", "C4'", "H4'", "C5'", "H5'1", "H5'2", "O5'", "P", "OP2", "OP3"],
+            "link_labels": {"36": "5-prime"}
+        },
+        "XTY5p": {
+            "smiles": "[H]C1=C2C(=O)N([H])C(=O)N([H])C2=C(C2([H])OC([H])(C([H])([H])OP(=O)([O-])[O-])C([H])(O)C2([H])[H])C([H])=C1C([H])([H])[H]",
+            "atom_name": ["HP", "CP", "C5", "C4", "O4", "N3", "HN3", "C2", "O2", "N", "HN", "C6", "C8", "C1'", "H1'", "O4'", "C4'", "H4'", "C5'", "H5'1", "H5'2", "O5'", "P", "OP2", "OP1", "OP3", "C3'", "H3'", "O3'", "C2'", "H2'1", "H2'2", "CD", "HD", "C7", "C7A", "H7A1", "H7A2", "H7A3"],
+            "link_labels": {"28": "3-prime"}
+        },
+        "XTY5": {
+            "smiles": "[H]OC([H])([H])C1([H])OC([H])(C2=C3C(=C([H])C(C([H])([H])[H])=C2[H])C(=O)N([H])C(=O)N3[H])C([H])([H])C1([H])O",
+            "atom_name": ["H1", "O5'", "C5'", "H5'1", "H5'2", "C4'", "H4'", "O4'", "C1'", "H1'", "C8", "C6", "C5", "CP", "HP", "C7", "C7A", "H7A1", "H7A2", "H7A3", "CD", "HD", "C4", "O4", "N3", "HN3", "C2", "O2", "N", "HN", "C2'", "H2'1", "H2'2", "C3'", "H3'", "O3'"],
+            "link_labels": {"35": "3-prime"}
+        },
+        "Y": {
+            "smiles": "[H]OC([H])([H])C([H])(C1=C([H])C([H])=C([H])C([H])=C1[H])N([H])C1=NC([H])=NC2=C1N=C([H])N2C1([H])OC([H])(C([H])([H])OP(=O)[O-])C([H])(O)C1([H])[H]",
+            "atom_name": ["HB", "OB", "CB", "HB1", "HB2", "CA", "HA", "CJ", "CO", "HO", "CM", "HM", "CP", "HP", "CM'", "HM'", "CO'", "HO'", "N6", "H6", "C6", "N1", "C2", "H2", "N3", "C4", "C5", "N7", "C8", "H8", "N9", "C1'", "H1'", "O4'", "C4'", "H4'", "C5'", "H5'", "H5''", "O5'", "P", "OP1", "OP3", "C3'", "H3'", "O3'", "C2'", "H2'", "H2''"],
+            "link_labels": {"40": "5-prime", "45": "3-prime"}
+        },
+        "Y3": {
+            "smiles": "[H]OC([H])([H])C([H])(C1=C([H])C([H])=C([H])C([H])=C1[H])N([H])C1=NC([H])=NC2=C1N=C([H])N2C1([H])OC([H])(C([H])([H])OP(=O)[O-])C([H])(O[H])C1([H])[H]",
+            "atom_name": ["HB", "OB", "CB", "HB1", "HB2", "CA", "HA", "CJ", "CO", "HO", "CM", "HM", "CP", "HP", "CM'", "HM'", "CO'", "HO'", "N6", "H6", "C6", "N1", "C2", "H2", "N3", "C4", "C5", "N7", "C8", "H8", "N9", "C1'", "H1'", "O4'", "C4'", "H4'", "C5'", "H5'", "H5''", "O5'", "P", "OP1", "OP3", "C3'", "H3'", "O3'", "HO3'", "C2'", "H2'", "H2''"],
+            "link_labels": {"40": "5-prime"}
+        },
+        "Y5p": {
+            "smiles": "[H]OC([H])([H])C([H])(C1=C([H])C([H])=C([H])C([H])=C1[H])N([H])C1=NC([H])=NC2=C1N=C([H])N2C1([H])OC([H])(C([H])([H])OP(=O)([O-])[O-])C([H])(O)C1([H])[H]",
+            "atom_name": ["HB", "OB", "CB", "HB1", "HB2", "CA", "HA", "CJ", "CO", "HO", "CM", "HM", "CP", "HP", "CM'", "HM'", "CO'", "HO'", "N6", "H6", "C6", "N1", "C2", "H2", "N3", "C4", "C5", "N7", "C8", "H8", "N9", "C1'", "H1'", "O4'", "C4'", "H4'", "C5'", "H5'", "H5''", "O5'", "P", "OP1", "OP2", "OP3", "C3'", "H3'", "O3'", "C2'", "H2'", "H2''"],
+            "link_labels": {"46": "3-prime"}
+        },
+        "Y5": {
+            "smiles": "[H]OC([H])([H])C([H])(C1=C([H])C([H])=C([H])C([H])=C1[H])N([H])C1=NC([H])=NC2=C1N=C([H])N2C1([H])OC([H])(C([H])([H])O[H])C([H])(O)C1([H])[H]",
+            "atom_name": ["HB", "OB", "CB", "HB1", "HB2", "CA", "HA", "CJ", "CO", "HO", "CM", "HM", "CP", "HP", "CM'", "HM'", "CO'", "HO'", "N6", "H6", "C6", "N1", "C2", "H2", "N3", "C4", "C5", "N7", "C8", "H8", "N9", "C1'", "H1'", "O4'", "C4'", "H4'", "C5'", "H5'", "H5''", "O5'", "H9", "C3'", "H3'", "O3'", "C2'", "H2'", "H2''"],
+            "link_labels": {"43": "3-prime"}
+        }
+    }
+}
\ No newline at end of file
diff --git a/meeko/data/residue_chem_templates.json b/meeko/data/residue_chem_templates.json
index 3c879871..484c9def 100644
--- a/meeko/data/residue_chem_templates.json
+++ b/meeko/data/residue_chem_templates.json
@@ -101,8 +101,8 @@
 		},
 		"ZN": {
 			"smiles": "[Zn+2]",
-			"link_labels": {},
-			"atom_name": ["ZN"]
+			"atom_name": ["ZN"],
+			"link_labels": {}
 		},
 		"BR": {
 			"smiles": "[Br-]",
@@ -119,251 +119,166 @@
 			"atom_name": ["OW", "HW1", "HW2"],
 			"link_labels": {}
 		},
-		"p": {
-			"smiles": "P(=O)([O-])[O-]",
-			"atom_name": [ "P", "OP1", "OP2", "OP3"],
-			"link_labels": {"0": "5-prime"}
-		},
-		"A_": {
-			"smiles": "[H]OC1([H])C([H])(N2C([H])=NC3=C2N=C([H])N=C3N([H])[H])OC([H])(C([H])([H])OP(=O)([O-])[O-])C1([H])O[H]",
-			"atom_name": ["HO2'", "O2'", "C2'", "H2'", "C1'", "H1'", "N9", "C8", "H8", "N7", "C5", "C4", "N3", "C2", "H2", "N1", "C6", "N6", "H61", "H62", "O4'", "C4'", "H4'", "C5'", "H5'", "H5''", "O5'", "P", "OP1", "OP3", "OP2", "C3'", "H3'", "O3'", "HO3'"],
-			"link_labels": {}
-		},
-		"A": {
-			"smiles": "[H]OC1([H])C([H])(N2C([H])=NC3=C2N=C([H])N=C3N([H])[H])OC([H])(C([H])([H])OP(=O)[O-])C1([H])O",
-			"atom_name": ["HO2'", "O2'", "C2'", "H2'", "C1'", "H1'", "N9", "C8", "H8", "N7", "C5", "C4", "N3", "C2", "H2", "N1", "C6", "N6", "H61", "H62", "O4'", "C4'", "H4'", "C5'", "H5'", "H5''", "O5'", "P", "OP1", "OP2", "C3'", "H3'", "O3'"],
-			"link_labels": {"27": "5-prime", "32": "3-prime"}
-		},
-		"A3": {
-			"smiles": "[H]OC1([H])C([H])(N2C([H])=NC3=C2N=C([H])N=C3N([H])[H])OC([H])(C([H])([H])OP(=O)[O-])C1([H])O[H]",
-			"atom_name": ["HO2'", "O2'", "C2'", "H2'", "C1'", "H1'", "N9", "C8", "H8", "N7", "C5", "C4", "N3", "C2", "H2", "N1", "C6", "N6", "H61", "H62", "O4'", "C4'", "H4'", "C5'", "H5'", "H5''", "O5'", "P", "OP1", "OP2", "C3'", "H3'", "O3'", "HO3'"],
-			"link_labels": {"27": "5-prime"}
-		},
-		"A5p": {
-			"smiles": "[H]OC1([H])C([H])(N2C([H])=NC3=C2N=C([H])N=C3N([H])[H])OC([H])(C([H])([H])OP(=O)([O-])[O-])C1([H])O",
-			"atom_name": ["HO2'", "O2'", "C2'", "H2'", "C1'", "H1'", "N9", "C8", "H8", "N7", "C5", "C4", "N3", "C2", "H2", "N1", "C6", "N6", "H61", "H62", "O4'", "C4'", "H4'", "C5'", "H5'", "H5''", "O5'", "P", "OP1", "OP3", "OP2", "C3'", "H3'", "O3'"],
-			"link_labels": {"33": "3-prime"}
-		},
-		"AN": {
-			"smiles": "[H]OC([H])([H])C1([H])OC([H])(N2C([H])=NC3=C2N=C([H])N=C3N([H])[H])C([H])(O[H])C1([H])O[H]",
-			"atom_name": ["HO5'", "O5'", "C5'", "H5'", "H5''", "C4'", "H4'", "O4'", "C1'", "H1'", "N9", "C8", "H8", "N7", "C5", "C4", "N3", "C2", "H2", "N1", "C6", "N6", "H61", "H62", "C2'", "H2'", "O2'", "HO2'", "C3'", "H3'", "O3'", "HO3'"],
-			"link_labels": {}
-		},
-		"A5": {
-			"smiles": "[H]OC([H])([H])C1([H])OC([H])(N2C([H])=NC3=C2N=C([H])N=C3N([H])[H])C([H])(O[H])C1([H])O",
-			"atom_name": ["HO5'", "O5'", "C5'", "H5'", "H5''", "C4'", "H4'", "O4'", "C1'", "H1'", "N9", "C8", "H8", "N7", "C5", "C4", "N3", "C2", "H2", "N1", "C6", "N6", "H61", "H62", "C2'", "H2'", "O2'", "HO2'", "C3'", "H3'", "O3'"],
-			"link_labels": {"30": "3-prime"}
-		},
-		"U_": {
-			"smiles": "[H]OC1([H])C([H])(N2C(=O)N([H])C(=O)C([H])=C2[H])OC([H])(C([H])([H])OP(=O)([O-])[O-])C1([H])O[H]",
-			"atom_name": ["HO2'", "O2'", "C2'", "H2'", "C1'", "H1'", "N1", "C2", "O2", "N3", "H3", "C4", "O4", "C5", "H5", "C6", "H6", "O4'", "C4'", "H4'", "C5'", "H5'", "H5''", "O5'", "P", "OP1", "OP3", "OP2", "C3'", "H3'", "O3'", "HO3'"],
-			"link_labels": {}
-		},
-		"U": {
-			"smiles": "[H]OC1([H])C([H])(N2C(=O)N([H])C(=O)C([H])=C2[H])OC([H])(C([H])([H])OP(=O)[O-])C1([H])O",
-			"atom_name": ["HO2'", "O2'", "C2'", "H2'", "C1'", "H1'", "N1", "C2", "O2", "N3", "H3", "C4", "O4", "C5", "H5", "C6", "H6", "O4'", "C4'", "H4'", "C5'", "H5'", "H5''", "O5'", "P", "OP1", "OP2", "C3'", "H3'", "O3'"],
-			"link_labels": {"24": "5-prime", "29": "3-prime"}
-		},
-		"U3": {
-			"smiles": "[H]OC1([H])C([H])(N2C(=O)N([H])C(=O)C([H])=C2[H])OC([H])(C([H])([H])OP(=O)[O-])C1([H])O[H]",
-			"atom_name": ["HO2'", "O2'", "C2'", "H2'", "C1'", "H1'", "N1", "C2", "O2", "N3", "H3", "C4", "O4", "C5", "H5", "C6", "H6", "O4'", "C4'", "H4'", "C5'", "H5'", "H5''", "O5'", "P", "OP1", "OP2", "C3'", "H3'", "O3'", "HO3'"],
-			"link_labels": {"24": "5-prime"}
-		},
-		"U5p": {
-			"smiles": "[H]OC1([H])C([H])(N2C(=O)N([H])C(=O)C([H])=C2[H])OC([H])(C([H])([H])OP(=O)([O-])[O-])C1([H])O",
-			"atom_name": ["HO2'", "O2'", "C2'", "H2'", "C1'", "H1'", "N1", "C2", "O2", "N3", "H3", "C4", "O4", "C5", "H5", "C6", "H6", "O4'", "C4'", "H4'", "C5'", "H5'", "H5''", "O5'", "P", "OP1", "OP3", "OP2", "C3'", "H3'", "O3'"],
-			"link_labels": {"30": "3-prime"}
-		},
-		"UN": {
-			"smiles": "[H]OC([H])([H])C1([H])OC([H])(N2C(=O)N([H])C(=O)C([H])=C2[H])C([H])(O[H])C1([H])O[H]",
-			"atom_name": ["HO5'", "O5'", "C5'", "H5'", "H5''", "C4'", "H4'", "O4'", "C1'", "H1'", "N1", "C2", "O2", "N3", "H3", "C4", "O4", "C5", "H5", "C6", "H6", "C2'", "H2'", "O2'", "HO2'", "C3'", "H3'", "O3'", "HO3'"],
-			"link_labels": {}
-		},
-		"U5": {
-			"smiles": "[H]OC([H])([H])C1([H])OC([H])(N2C(=O)N([H])C(=O)C([H])=C2[H])C([H])(O[H])C1([H])O",
-			"atom_name": ["HO5'", "O5'", "C5'", "H5'", "H5''", "C4'", "H4'", "O4'", "C1'", "H1'", "N1", "C2", "O2", "N3", "H3", "C4", "O4", "C5", "H5", "C6", "H6", "C2'", "H2'", "O2'", "HO2'", "C3'", "H3'", "O3'"],
-			"link_labels": {"27": "3-prime"}
-		},
-		"C_": {
-			"smiles": "[H]OC1([H])C([H])(N2C(=O)N=C(N([H])[H])C([H])=C2[H])OC([H])(C([H])([H])OP(=O)([O-])[O-])C1([H])O[H]",
-			"atom_name": ["HO2'", "O2'", "C2'", "H2'", "C1'", "H1'", "N1", "C2", "O2", "N3", "C4", "N4", "H41", "H42", "C5", "H5", "C6", "H6", "O4'", "C4'", "H4'", "C5'", "H5'", "H5''", "O5'", "P", "OP1", "OP3", "OP2", "C3'", "H3'", "O3'", "HO3'"],
-			"link_labels": {}
-		},
-		"C": {
-			"smiles": "[H]OC1([H])C([H])(N2C(=O)N=C(N([H])[H])C([H])=C2[H])OC([H])(C([H])([H])OP(=O)[O-])C1([H])O",
-			"atom_name": ["HO2'", "O2'", "C2'", "H2'", "C1'", "H1'", "N1", "C2", "O2", "N3", "C4", "N4", "H41", "H42", "C5", "H5", "C6", "H6", "O4'", "C4'", "H4'", "C5'", "H5'", "H5''", "O5'", "P", "OP1", "OP2", "C3'", "H3'", "O3'"],
-			"link_labels": {"25": "5-prime", "30": "3-prime"}
-		},
-		"C3": {
-			"smiles": "[H]OC1([H])C([H])(N2C(=O)N=C(N([H])[H])C([H])=C2[H])OC([H])(C([H])([H])OP(=O)[O-])C1([H])O[H]",
-			"atom_name": ["HO2'", "O2'", "C2'", "H2'", "C1'", "H1'", "N1", "C2", "O2", "N3", "C4", "N4", "H41", "H42", "C5", "H5", "C6", "H6", "O4'", "C4'", "H4'", "C5'", "H5'", "H5''", "O5'", "P", "OP1", "OP2", "C3'", "H3'", "O3'", "HO3'"],
-			"link_labels": {"25": "5-prime"}
-		},
-		"C5p": {
-			"smiles": "[H]OC1([H])C([H])(N2C(=O)N=C(N([H])[H])C([H])=C2[H])OC([H])(C([H])([H])OP(=O)([O-])[O-])C1([H])O",
-			"atom_name": ["HO2'", "O2'", "C2'", "H2'", "C1'", "H1'", "N1", "C2", "O2", "N3", "C4", "N4", "H41", "H42", "C5", "H5", "C6", "H6", "O4'", "C4'", "H4'", "C5'", "H5'", "H5''", "O5'", "P", "OP1", "OP3", "OP2", "C3'", "H3'", "O3'"],
-			"link_labels": {"31": "3-prime"}
-		},
-		"CN": {
-			"smiles": "[H]OC([H])([H])C1([H])OC([H])(N2C(=O)N=C(N([H])[H])C([H])=C2[H])C([H])(O[H])C1([H])O[H]",
-			"atom_name": ["HO5'", "O5'", "C5'", "H5'", "H5''", "C4'", "H4'", "O4'", "C1'", "H1'", "N1", "C2", "O2", "N3", "C4", "N4", "H41", "H42", "C5", "H5", "C6", "H6", "C2'", "H2'", "O2'", "HO2'", "C3'", "H3'", "O3'", "HO3'"],
-			"link_labels": {}
-		},
-		"C5": {
-			"smiles": "[H]OC([H])([H])C1([H])OC([H])(N2C(=O)N=C(N([H])[H])C([H])=C2[H])C([H])(O[H])C1([H])O",
-			"atom_name": ["HO5'", "O5'", "C5'", "H5'", "H5''", "C4'", "H4'", "O4'", "C1'", "H1'", "N1", "C2", "O2", "N3", "C4", "N4", "H41", "H42", "C5", "H5", "C6", "H6", "C2'", "H2'", "O2'", "HO2'", "C3'", "H3'", "O3'"],
-			"link_labels": {"28": "3-prime"}
-		},
-		"G_": {
-			"smiles": "[H]OC1([H])C([H])(N2C([H])=NC3=C2N=C(N([H])[H])N([H])C3=O)OC([H])(C([H])([H])OP(=O)([O-])[O-])C1([H])O[H]",
-			"atom_name": ["HO2'", "O2'", "C2'", "H2'", "C1'", "H1'", "N9", "C8", "H8", "N7", "C5", "C4", "N3", "C2", "N2", "H21", "H22", "N1", "H1", "C6", "O6", "O4'", "C4'", "H4'", "C5'", "H5'", "H5''", "O5'", "P", "OP1", "OP3", "OP2", "C3'", "H3'", "O3'", "HO3'"],
-			"link_labels": {}
-		},
-		"G": {
-			"smiles": "[H]OC1([H])C([H])(N2C([H])=NC3=C2N=C(N([H])[H])N([H])C3=O)OC([H])(C([H])([H])OP(=O)[O-])C1([H])O",
-			"atom_name": ["HO2'", "O2'", "C2'", "H2'", "C1'", "H1'", "N9", "C8", "H8", "N7", "C5", "C4", "N3", "C2", "N2", "H21", "H22", "N1", "H1", "C6", "O6", "O4'", "C4'", "H4'", "C5'", "H5'", "H5''", "O5'", "P", "OP1", "OP2", "C3'", "H3'", "O3'"],
-			"link_labels": {"28": "5-prime", "33": "3-prime"}
-		},
-		"G3": {
-			"smiles": "[H]OC1([H])C([H])(N2C([H])=NC3=C2N=C(N([H])[H])N([H])C3=O)OC([H])(C([H])([H])OP(=O)[O-])C1([H])O[H]",
-			"atom_name": ["HO2'", "O2'", "C2'", "H2'", "C1'", "H1'", "N9", "C8", "H8", "N7", "C5", "C4", "N3", "C2", "N2", "H21", "H22", "N1", "H1", "C6", "O6", "O4'", "C4'", "H4'", "C5'", "H5'", "H5''", "O5'", "P", "OP1", "OP2", "C3'", "H3'", "O3'", "HO3'"],
-			"link_labels": {"28": "5-prime"}
-		},
-		"G5p": {
-			"smiles": "[H]OC1([H])C([H])(N2C([H])=NC3=C2N=C(N([H])[H])N([H])C3=O)OC([H])(C([H])([H])OP(=O)([O-])[O-])C1([H])O",
-			"atom_name": ["HO2'", "O2'", "C2'", "H2'", "C1'", "H1'", "N9", "C8", "H8", "N7", "C5", "C4", "N3", "C2", "N2", "H21", "H22", "N1", "H1", "C6", "O6", "O4'", "C4'", "H4'", "C5'", "H5'", "H5''", "O5'", "P", "OP1", "OP3", "OP2", "C3'", "H3'", "O3'"],
-			"link_labels": {"34": "3-prime"}
-		},
-		"GN": {
-			"smiles": "[H]OC([H])([H])C1([H])OC([H])(N2C([H])=NC3=C2N=C(N([H])[H])N([H])C3=O)C([H])(O[H])C1([H])O[H]",
-			"atom_name": ["HO5'", "O5'", "C5'", "H5'", "H5''", "C4'", "H4'", "O4'", "C1'", "H1'", "N9", "C8", "H8", "N7", "C5", "C4", "N3", "C2", "N2", "H21", "H22", "N1", "H1", "C6", "O6", "C2'", "H2'", "O2'", "HO2'", "C3'", "H3'", "O3'", "HO3'"],
-			"link_labels": {}
-		},
-		"G5": {
-			"smiles": "[H]OC([H])([H])C1([H])OC([H])(N2C([H])=NC3=C2N=C(N([H])[H])N([H])C3=O)C([H])(O[H])C1([H])O",
-			"atom_name": ["HO5'", "O5'", "C5'", "H5'", "H5''", "C4'", "H4'", "O4'", "C1'", "H1'", "N9", "C8", "H8", "N7", "C5", "C4", "N3", "C2", "N2", "H21", "H22", "N1", "H1", "C6", "O6", "C2'", "H2'", "O2'", "HO2'", "C3'", "H3'", "O3'"],
-			"link_labels": {"31": "3-prime"}
-		},
-		"DA_": {
-			"smiles": "[H]OC1([H])C([H])([H])C([H])(N2C([H])=NC3=C2N=C([H])N=C3N([H])[H])OC1([H])C([H])([H])OP(=O)([O-])[O-]",
-			"atom_name": ["HO3'", "O3'", "C3'", "H3'", "C2'", "H2'", "H2''", "C1'", "H1'", "N9", "C8", "H8", "N7", "C5", "C4", "N3", "C2", "H2", "N1", "C6", "N6", "H61", "H62", "O4'", "C4'", "H4'", "C5'", "H5'", "H5''", "O5'", "P", "OP1", "OP3", "OP2"],
-			"link_labels": {}
-		},
-		"DA": {
-			"smiles": "[H]C1=NC2=C(N=C([H])N2C2([H])OC([H])(C([H])([H])OP(=O)[O-])C([H])(O)C2([H])[H])C(N([H])[H])=N1",
-			"atom_name": ["H2", "C2", "N3", "C4", "C5", "N7", "C8", "H8", "N9", "C1'", "H1'", "O4'", "C4'", "H4'", "C5'", "H5'", "H5''", "O5'", "P", "OP1", "OP2", "C3'", "H3'", "O3'", "C2'", "H2'", "H2''", "C6", "N6", "H61", "H62", "N1"],
-			"link_labels": {"18": "5-prime", "23": "3-prime"}
-		},
-		"DA3": {
-			"smiles": "[H]OC1([H])C([H])([H])C([H])(N2C([H])=NC3=C2N=C([H])N=C3N([H])[H])OC1([H])C([H])([H])OP(=O)[O-]",
-			"atom_name": ["HO3'", "O3'", "C3'", "H3'", "C2'", "H2'", "H2''", "C1'", "H1'", "N9", "C8", "H8", "N7", "C5", "C4", "N3", "C2", "H2", "N1", "C6", "N6", "H61", "H62", "O4'", "C4'", "H4'", "C5'", "H5'", "H5''", "O5'", "P", "OP1", "OP2"],
-			"link_labels": {"30": "5-prime"}
-		},
-		"DA5p": {
-			"smiles": "[H]C1=NC2=C(N=C([H])N2C2([H])OC([H])(C([H])([H])OP(=O)([O-])[O-])C([H])(O)C2([H])[H])C(N([H])[H])=N1",
-			"atom_name": ["H2", "C2", "N3", "C4", "C5", "N7", "C8", "H8", "N9", "C1'", "H1'", "O4'", "C4'", "H4'", "C5'", "H5'", "H5''", "O5'", "P", "OP1", "OP3", "OP2", "C3'", "H3'", "O3'", "C2'", "H2'", "H2''", "C6", "N6", "H61", "H62", "N1"],
-			"link_labels": {"24": "3-prime"}
-		},
-		"DAN": {
-			"smiles": "[H]OC([H])([H])C1([H])OC([H])(N2C([H])=NC3=C2N=C([H])N=C3N([H])[H])C([H])([H])C1([H])O[H]",
-			"atom_name": ["HO5'", "O5'", "C5'", "H5'", "H5''", "C4'", "H4'", "O4'", "C1'", "H1'", "N9", "C8", "H8", "N7", "C5", "C4", "N3", "C2", "H2", "N1", "C6", "N6", "H61", "H62", "C2'", "H2'", "H2''", "C3'", "H3'", "O3'", "HO3'"],
-			"link_labels": {}
-		},
-		"DA5": {
-			"smiles": "[H]OC([H])([H])C1([H])OC([H])(N2C([H])=NC3=C2N=C([H])N=C3N([H])[H])C([H])([H])C1([H])O",
-			"atom_name": ["HO5'", "O5'", "C5'", "H5'", "H5''", "C4'", "H4'", "O4'", "C1'", "H1'", "N9", "C8", "H8", "N7", "C5", "C4", "N3", "C2", "H2", "N1", "C6", "N6", "H61", "H62", "C2'", "H2'", "H2''", "C3'", "H3'", "O3'"],
-			"link_labels": {"29": "3-prime"}
-		},
-		"DT_": {
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-			"link_labels": {}
-		},
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-			"link_labels": {"23": "5-prime", "28": "3-prime"}
-		},
-		"DT3": {
-			"smiles": "[H]OC1([H])C([H])([H])C([H])(N2C(=O)N([H])C(=O)C(C([H])([H])[H])=C2[H])OC1([H])C([H])([H])OP(=O)[O-]",
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-			"link_labels": {"30": "5-prime"}
-		},
-		"DT5p": {
-			"smiles": "[H]C1=C(C([H])([H])[H])C(=O)N([H])C(=O)N1C1([H])OC([H])(C([H])([H])OP(=O)([O-])[O-])C([H])(O)C1([H])[H]",
-			"atom_name": ["H6", "C6", "C5", "C7", "H71", "H72", "H73", "C4", "O4", "N3", "H3", "C2", "O2", "N1", "C1'", "H1'", "O4'", "C4'", "H4'", "C5'", "H5'", "H5''", "O5'", "P", "OP1", "OP3", "OP2", "C3'", "H3'", "O3'", "C2'", "H2'", "H2''"],
-			"link_labels": {"29": "3-prime"}
-		},
-		"DTN": {
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-			"link_labels": {}
-		},
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-			"link_labels": {"29": "3-prime"}
-		},
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-			"link_labels": {}
-		},
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-			"atom_name": ["H5", "C5", "C6", "H6", "N1", "C1'", "H1'", "O4'", "C4'", "H4'", "C5'", "H5'", "H5''", "O5'", "P", "OP1", "OP2", "C3'", "H3'", "O3'", "C2'", "H2'", "H2''", "C2", "O2", "N3", "C4", "N4", "H41", "H42"],
-			"link_labels": {"14": "5-prime", "19": "3-prime"}
-		},
-		"DC3": {
-			"smiles": "[H]OC1([H])C([H])([H])C([H])(N2C(=O)N=C(N([H])[H])C([H])=C2[H])OC1([H])C([H])([H])OP(=O)[O-]",
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-			"link_labels": {"28": "5-prime"}
-		},
-		"DC5p": {
-			"smiles": "[H]C1=C([H])N(C2([H])OC([H])(C([H])([H])OP(=O)([O-])[O-])C([H])(O)C2([H])[H])C(=O)N=C1N([H])[H]",
-			"atom_name": ["H5", "C5", "C6", "H6", "N1", "C1'", "H1'", "O4'", "C4'", "H4'", "C5'", "H5'", "H5''", "O5'", "P", "OP1", "OP3", "OP2", "C3'", "H3'", "O3'", "C2'", "H2'", "H2''", "C2", "O2", "N3", "C4", "N4", "H41", "H42"],
-			"link_labels": {"20": "3-prime"}
-		},
-		"DCN": {
-			"smiles": "[H]OC([H])([H])C1([H])OC([H])(N2C(=O)N=C(N([H])[H])C([H])=C2[H])C([H])([H])C1([H])O[H]",
-			"atom_name": ["HO5'", "O5'", "C5'", "H5'", "H5''", "C4'", "H4'", "O4'", "C1'", "H1'", "N1", "C2", "O2", "N3", "C4", "N4", "H41", "H42", "C5", "H5", "C6", "H6", "C2'", "H2'", "H2''", "C3'", "H3'", "O3'", "HO3'"],
-			"link_labels": {}
-		},
-		"DC5": {
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-			"atom_name": ["HO5'", "O5'", "C5'", "H5'", "H5''", "C4'", "H4'", "O4'", "C1'", "H1'", "N1", "C2", "O2", "N3", "C4", "N4", "H41", "H42", "C5", "H5", "C6", "H6", "C2'", "H2'", "H2''", "C3'", "H3'", "O3'"],
-			"link_labels": {"27": "3-prime"}
-		},
-		"DG_": {
-			"smiles": "[H]OC1([H])C([H])([H])C([H])(N2C([H])=NC3=C2N=C(N([H])[H])N([H])C3=O)OC1([H])C([H])([H])OP(=O)([O-])[O-]",
-			"atom_name": ["HO3'", "O3'", "C3'", "H3'", "C2'", "H2'", "H2''", "C1'", "H1'", "N9", "C8", "H8", "N7", "C5", "C4", "N3", "C2", "N2", "H21", "H22", "N1", "H1", "C6", "O6", "O4'", "C4'", "H4'", "C5'", "H5'", "H5''", "O5'", "P", "OP1", "OP3", "OP2"],
-			"link_labels": {}
-		},
-		"DG": {
-			"smiles": "[H]C1=NC2=C(N=C(N([H])[H])N([H])C2=O)N1C1([H])OC([H])(C([H])([H])OP(=O)[O-])C([H])(O)C1([H])[H]",
-			"atom_name": ["H8", "C8", "N7", "C5", "C4", "N3", "C2", "N2", "H21", "H22", "N1", "H1", "C6", "O6", "N9", "C1'", "H1'", "O4'", "C4'", "H4'", "C5'", "H5'", "H5''", "O5'", "P", "OP1", "OP2", "C3'", "H3'", "O3'", "C2'", "H2'", "H2''"],
-			"link_labels": {"24": "5-prime", "29": "3-prime"}
-		},
-		"DG3": {
-			"smiles": "[H]OC1([H])C([H])([H])C([H])(N2C([H])=NC3=C2N=C(N([H])[H])N([H])C3=O)OC1([H])C([H])([H])OP(=O)[O-]",
-			"atom_name": ["HO3'", "O3'", "C3'", "H3'", "C2'", "H2'", "H2''", "C1'", "H1'", "N9", "C8", "H8", "N7", "C5", "C4", "N3", "C2", "N2", "H21", "H22", "N1", "H1", "C6", "O6", "O4'", "C4'", "H4'", "C5'", "H5'", "H5''", "O5'", "P", "OP1", "OP2"],
-			"link_labels": {"31": "5-prime"}
-		},
-		"DG5p": {
-			"smiles": "[H]C1=NC2=C(N=C(N([H])[H])N([H])C2=O)N1C1([H])OC([H])(C([H])([H])OP(=O)([O-])[O-])C([H])(O)C1([H])[H]",
-			"atom_name": ["H8", "C8", "N7", "C5", "C4", "N3", "C2", "N2", "H21", "H22", "N1", "H1", "C6", "O6", "N9", "C1'", "H1'", "O4'", "C4'", "H4'", "C5'", "H5'", "H5''", "O5'", "P", "OP1", "OP3", "OP2", "C3'", "H3'", "O3'", "C2'", "H2'", "H2''"],
-			"link_labels": {"30": "3-prime"}
-		},
-		"DGN": {
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-			"atom_name": ["HO5'", "O5'", "C5'", "H5'", "H5''", "C4'", "H4'", "O4'", "C1'", "H1'", "N9", "C8", "H8", "N7", "C5", "C4", "N3", "C2", "N2", "H21", "H22", "N1", "H1", "C6", "O6", "C2'", "H2'", "H2''", "C3'", "H3'", "O3'", "HO3'"],
-			"link_labels": {}
-		},
-		"DG5": {
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-			"link_labels": {"30": "3-prime"}
-		},
+        "A": {
+            "smiles": "[H]OC1([H])C([H])(N2C([H])=NC3=C2N=C([H])N=C3N([H])[H])OC([H])(C([H])([H])OP(=O)[O-])C1([H])O",
+            "atom_name": ["HO2'", "O2'", "C2'", "H2'", "C1'", "H1'", "N9", "C8", "H8", "N7", "C5", "C4", "N3", "C2", "H2", "N1", "C6", "N6", "H61", "H62", "O4'", "C4'", "H4'", "C5'", "H5'", "H5''", "O5'", "P", "OP1", "OP2", "C3'", "H3'", "O3'"],
+            "link_labels": {"27": "5-prime", "32": "3-prime"}
+        },
+        "A3": {
+            "smiles": "[H]OC1([H])C([H])(N2C([H])=NC3=C2N=C([H])N=C3N([H])[H])OC([H])(C([H])([H])OP(=O)[O-])C1([H])O[H]",
+            "atom_name": ["HO2'", "O2'", "C2'", "H2'", "C1'", "H1'", "N9", "C8", "H8", "N7", "C5", "C4", "N3", "C2", "H2", "N1", "C6", "N6", "H61", "H62", "O4'", "C4'", "H4'", "C5'", "H5'", "H5''", "O5'", "P", "OP1", "OP2", "C3'", "H3'", "O3'", "HO3'"],
+            "link_labels": {"27": "5-prime"}
+        },
+        "A5p": {
+            "smiles": "[H]OC1([H])C([H])(N2C([H])=NC3=C2N=C([H])N=C3N([H])[H])OC([H])(C([H])([H])OP(=O)([O-])[O-])C1([H])O",
+            "atom_name": ["HO2'", "O2'", "C2'", "H2'", "C1'", "H1'", "N9", "C8", "H8", "N7", "C5", "C4", "N3", "C2", "H2", "N1", "C6", "N6", "H61", "H62", "O4'", "C4'", "H4'", "C5'", "H5'", "H5''", "O5'", "P", "OP1", "OP3", "OP2", "C3'", "H3'", "O3'"],
+            "link_labels": {"33": "3-prime"}
+        },
+        "A5": {
+            "smiles": "[H]OC([H])([H])C1([H])OC([H])(N2C([H])=NC3=C2N=C([H])N=C3N([H])[H])C([H])(O[H])C1([H])O",
+            "atom_name": ["H63", "O5'", "C5'", "H5'", "H5''", "C4'", "H4'", "O4'", "C1'", "H1'", "N9", "C8", "H8", "N7", "C5", "C4", "N3", "C2", "H2", "N1", "C6", "N6", "H61", "H62", "C2'", "H2'", "O2'", "HO2'", "C3'", "H3'", "O3'"],
+            "link_labels": {"30": "3-prime"}
+        },
+        "U": {
+            "smiles": "[H]OC1([H])C([H])(N2C(=O)N([H])C(=O)C([H])=C2[H])OC([H])(C([H])([H])OP(=O)[O-])C1([H])O",
+            "atom_name": ["HO2'", "O2'", "C2'", "H2'", "C1'", "H1'", "N1", "C2", "O2", "N3", "H3", "C4", "O4", "C5", "H5", "C6", "H6", "O4'", "C4'", "H4'", "C5'", "H5'", "H5''", "O5'", "P", "OP1", "OP2", "C3'", "H3'", "O3'"],
+            "link_labels": {"24": "5-prime", "29": "3-prime"}
+        },
+        "U3": {
+            "smiles": "[H]OC1([H])C([H])(N2C(=O)N([H])C(=O)C([H])=C2[H])OC([H])(C([H])([H])OP(=O)[O-])C1([H])O[H]",
+            "atom_name": ["HO2'", "O2'", "C2'", "H2'", "C1'", "H1'", "N1", "C2", "O2", "N3", "H3", "C4", "O4", "C5", "H5", "C6", "H6", "O4'", "C4'", "H4'", "C5'", "H5'", "H5''", "O5'", "P", "OP1", "OP2", "C3'", "H3'", "O3'", "HO3'"],
+            "link_labels": {"24": "5-prime"}
+        },
+        "U5p": {
+            "smiles": "[H]OC1([H])C([H])(N2C(=O)N([H])C(=O)C([H])=C2[H])OC([H])(C([H])([H])OP(=O)([O-])[O-])C1([H])O",
+            "atom_name": ["HO2'", "O2'", "C2'", "H2'", "C1'", "H1'", "N1", "C2", "O2", "N3", "H3", "C4", "O4", "C5", "H5", "C6", "H6", "O4'", "C4'", "H4'", "C5'", "H5'", "H5''", "O5'", "P", "OP1", "OP3", "OP2", "C3'", "H3'", "O3'"],
+            "link_labels": {"30": "3-prime"}
+        },
+        "U5": {
+            "smiles": "[H]OC([H])([H])C1([H])OC([H])(N2C(=O)N([H])C(=O)C([H])=C2[H])C([H])(O[H])C1([H])O",
+            "atom_name": ["H7", "O5'", "C5'", "H5'", "H5''", "C4'", "H4'", "O4'", "C1'", "H1'", "N1", "C2", "O2", "N3", "H3", "C4", "O4", "C5", "H5", "C6", "H6", "C2'", "H2'", "O2'", "HO2'", "C3'", "H3'", "O3'"],
+            "link_labels": {"27": "3-prime"}
+        },
+        "C": {
+            "smiles": "[H]OC1([H])C([H])(N2C(=O)N=C(N([H])[H])C([H])=C2[H])OC([H])(C([H])([H])OP(=O)[O-])C1([H])O",
+            "atom_name": ["HO2'", "O2'", "C2'", "H2'", "C1'", "H1'", "N1", "C2", "O2", "N3", "C4", "N4", "H41", "H42", "C5", "H5", "C6", "H6", "O4'", "C4'", "H4'", "C5'", "H5'", "H5''", "O5'", "P", "OP1", "OP2", "C3'", "H3'", "O3'"],
+            "link_labels": {"25": "5-prime", "30": "3-prime"}
+        },
+        "C3": {
+            "smiles": "[H]OC1([H])C([H])(N2C(=O)N=C(N([H])[H])C([H])=C2[H])OC([H])(C([H])([H])OP(=O)[O-])C1([H])O[H]",
+            "atom_name": ["HO2'", "O2'", "C2'", "H2'", "C1'", "H1'", "N1", "C2", "O2", "N3", "C4", "N4", "H41", "H42", "C5", "H5", "C6", "H6", "O4'", "C4'", "H4'", "C5'", "H5'", "H5''", "O5'", "P", "OP1", "OP2", "C3'", "H3'", "O3'", "HO3'"],
+            "link_labels": {"25": "5-prime"}
+        },
+        "C5p": {
+            "smiles": "[H]OC1([H])C([H])(N2C(=O)N=C(N([H])[H])C([H])=C2[H])OC([H])(C([H])([H])OP(=O)([O-])[O-])C1([H])O",
+            "atom_name": ["HO2'", "O2'", "C2'", "H2'", "C1'", "H1'", "N1", "C2", "O2", "N3", "C4", "N4", "H41", "H42", "C5", "H5", "C6", "H6", "O4'", "C4'", "H4'", "C5'", "H5'", "H5''", "O5'", "P", "OP1", "OP3", "OP2", "C3'", "H3'", "O3'"],
+            "link_labels": {"31": "3-prime"}
+        },
+        "C5": {
+            "smiles": "[H]OC([H])([H])C1([H])OC([H])(N2C(=O)N=C(N([H])[H])C([H])=C2[H])C([H])(O[H])C1([H])O",
+            "atom_name": ["H43", "O5'", "C5'", "H5'", "H5''", "C4'", "H4'", "O4'", "C1'", "H1'", "N1", "C2", "O2", "N3", "C4", "N4", "H41", "H42", "C5", "H5", "C6", "H6", "C2'", "H2'", "O2'", "HO2'", "C3'", "H3'", "O3'"],
+            "link_labels": {"28": "3-prime"}
+        },
+        "G": {
+            "smiles": "[H]OC1([H])C([H])(N2C([H])=NC3=C2N=C(N([H])[H])N([H])C3=O)OC([H])(C([H])([H])OP(=O)[O-])C1([H])O",
+            "atom_name": ["HO2'", "O2'", "C2'", "H2'", "C1'", "H1'", "N9", "C8", "H8", "N7", "C5", "C4", "N3", "C2", "N2", "H21", "H22", "N1", "H1", "C6", "O6", "O4'", "C4'", "H4'", "C5'", "H5'", "H5''", "O5'", "P", "OP1", "OP2", "C3'", "H3'", "O3'"],
+            "link_labels": {"28": "5-prime", "33": "3-prime"}
+        },
+        "G3": {
+            "smiles": "[H]OC1([H])C([H])(N2C([H])=NC3=C2N=C(N([H])[H])N([H])C3=O)OC([H])(C([H])([H])OP(=O)[O-])C1([H])O[H]",
+            "atom_name": ["HO2'", "O2'", "C2'", "H2'", "C1'", "H1'", "N9", "C8", "H8", "N7", "C5", "C4", "N3", "C2", "N2", "H21", "H22", "N1", "H1", "C6", "O6", "O4'", "C4'", "H4'", "C5'", "H5'", "H5''", "O5'", "P", "OP1", "OP2", "C3'", "H3'", "O3'", "HO3'"],
+            "link_labels": {"28": "5-prime"}
+        },
+        "G5p": {
+            "smiles": "[H]OC1([H])C([H])(N2C([H])=NC3=C2N=C(N([H])[H])N([H])C3=O)OC([H])(C([H])([H])OP(=O)([O-])[O-])C1([H])O",
+            "atom_name": ["HO2'", "O2'", "C2'", "H2'", "C1'", "H1'", "N9", "C8", "H8", "N7", "C5", "C4", "N3", "C2", "N2", "H21", "H22", "N1", "H1", "C6", "O6", "O4'", "C4'", "H4'", "C5'", "H5'", "H5''", "O5'", "P", "OP1", "OP3", "OP2", "C3'", "H3'", "O3'"],
+            "link_labels": {"34": "3-prime"}
+        },
+        "G5": {
+            "smiles": "[H]OC([H])([H])C1([H])OC([H])(N2C([H])=NC3=C2N=C(N([H])[H])N([H])C3=O)C([H])(O[H])C1([H])O",
+            "atom_name": ["H23", "O5'", "C5'", "H5'", "H5''", "C4'", "H4'", "O4'", "C1'", "H1'", "N9", "C8", "H8", "N7", "C5", "C4", "N3", "C2", "N2", "H21", "H22", "N1", "H1", "C6", "O6", "C2'", "H2'", "O2'", "HO2'", "C3'", "H3'", "O3'"],
+            "link_labels": {"31": "3-prime"}
+        },
+        "DA": {
+            "smiles": "[H]C1=NC2=C(N=C([H])N2C2([H])OC([H])(C([H])([H])OP(=O)[O-])C([H])(O)C2([H])[H])C(N([H])[H])=N1",
+            "atom_name": ["H2", "C2", "N3", "C4", "C5", "N7", "C8", "H8", "N9", "C1'", "H1'", "O4'", "C4'", "H4'", "C5'", "H5'", "H5''", "O5'", "P", "OP1", "OP2", "C3'", "H3'", "O3'", "C2'", "H2'", "H2''", "C6", "N6", "H61", "H62", "N1"],
+            "link_labels": {"18": "5-prime", "23": "3-prime"}
+        },
+        "DA3": {
+            "smiles": "[H]OC1([H])C([H])([H])C([H])(N2C([H])=NC3=C2N=C([H])N=C3N([H])[H])OC1([H])C([H])([H])OP(=O)[O-]",
+            "atom_name": ["HO3'", "O3'", "C3'", "H3'", "C2'", "H2'", "H2''", "C1'", "H1'", "N9", "C8", "H8", "N7", "C5", "C4", "N3", "C2", "H2", "N1", "C6", "N6", "H61", "H62", "O4'", "C4'", "H4'", "C5'", "H5'", "H5''", "O5'", "P", "OP1", "OP2"],
+            "link_labels": {"30": "5-prime"}
+        },
+        "DA5p": {
+            "smiles": "[H]C1=NC2=C(N=C([H])N2C2([H])OC([H])(C([H])([H])OP(=O)([O-])[O-])C([H])(O)C2([H])[H])C(N([H])[H])=N1",
+            "atom_name": ["H2", "C2", "N3", "C4", "C5", "N7", "C8", "H8", "N9", "C1'", "H1'", "O4'", "C4'", "H4'", "C5'", "H5'", "H5''", "O5'", "P", "OP1", "OP3", "OP2", "C3'", "H3'", "O3'", "C2'", "H2'", "H2''", "C6", "N6", "H61", "H62", "N1"],
+            "link_labels": {"24": "3-prime"}
+        },
+        "DA5": {
+            "smiles": "[H]OC([H])([H])C1([H])OC([H])(N2C([H])=NC3=C2N=C([H])N=C3N([H])[H])C([H])([H])C1([H])O",
+            "atom_name": ["H63", "O5'", "C5'", "H5'", "H5''", "C4'", "H4'", "O4'", "C1'", "H1'", "N9", "C8", "H8", "N7", "C5", "C4", "N3", "C2", "H2", "N1", "C6", "N6", "H61", "H62", "C2'", "H2'", "H2''", "C3'", "H3'", "O3'"],
+            "link_labels": {"29": "3-prime"}
+        },
+        "DT": {
+            "smiles": "[H]C1=C(C([H])([H])[H])C(=O)N([H])C(=O)N1C1([H])OC([H])(C([H])([H])OP(=O)[O-])C([H])(O)C1([H])[H]",
+            "atom_name": ["H6", "C6", "C5", "C7", "H71", "H72", "H73", "C4", "O4", "N3", "H3", "C2", "O2", "N1", "C1'", "H1'", "O4'", "C4'", "H4'", "C5'", "H5'", "H5''", "O5'", "P", "OP1", "OP2", "C3'", "H3'", "O3'", "C2'", "H2'", "H2''"],
+            "link_labels": {"23": "5-prime", "28": "3-prime"}
+        },
+        "DT3": {
+            "smiles": "[H]OC1([H])C([H])([H])C([H])(N2C(=O)N([H])C(=O)C(C([H])([H])[H])=C2[H])OC1([H])C([H])([H])OP(=O)[O-]",
+            "atom_name": ["HO3'", "O3'", "C3'", "H3'", "C2'", "H2'", "H2''", "C1'", "H1'", "N1", "C2", "O2", "N3", "H3", "C4", "O4", "C5", "C7", "H71", "H72", "H73", "C6", "H6", "O4'", "C4'", "H4'", "C5'", "H5'", "H5''", "O5'", "P", "OP1", "OP2"],
+            "link_labels": {"30": "5-prime"}
+        },
+        "DT5p": {
+            "smiles": "[H]C1=C(C([H])([H])[H])C(=O)N([H])C(=O)N1C1([H])OC([H])(C([H])([H])OP(=O)([O-])[O-])C([H])(O)C1([H])[H]",
+            "atom_name": ["H6", "C6", "C5", "C7", "H71", "H72", "H73", "C4", "O4", "N3", "H3", "C2", "O2", "N1", "C1'", "H1'", "O4'", "C4'", "H4'", "C5'", "H5'", "H5''", "O5'", "P", "OP1", "OP3", "OP2", "C3'", "H3'", "O3'", "C2'", "H2'", "H2''"],
+            "link_labels": {"29": "3-prime"}
+        },
+        "DT5": {
+            "smiles": "[H]OC([H])([H])C1([H])OC([H])(N2C(=O)N([H])C(=O)C(C([H])([H])[H])=C2[H])C([H])([H])C1([H])O",
+            "atom_name": ["H74", "O5'", "C5'", "H5'", "H5''", "C4'", "H4'", "O4'", "C1'", "H1'", "N1", "C2", "O2", "N3", "H3", "C4", "O4", "C5", "C7", "H71", "H72", "H73", "C6", "H6", "C2'", "H2'", "H2''", "C3'", "H3'", "O3'"],
+            "link_labels": {"29": "3-prime"}
+        },
+        "DC": {
+            "smiles": "[H]C1=C([H])N(C2([H])OC([H])(C([H])([H])OP(=O)[O-])C([H])(O)C2([H])[H])C(=O)N=C1N([H])[H]",
+            "atom_name": ["H5", "C5", "C6", "H6", "N1", "C1'", "H1'", "O4'", "C4'", "H4'", "C5'", "H5'", "H5''", "O5'", "P", "OP1", "OP2", "C3'", "H3'", "O3'", "C2'", "H2'", "H2''", "C2", "O2", "N3", "C4", "N4", "H41", "H42"],
+            "link_labels": {"14": "5-prime", "19": "3-prime"}
+        },
+        "DC3": {
+            "smiles": "[H]OC1([H])C([H])([H])C([H])(N2C(=O)N=C(N([H])[H])C([H])=C2[H])OC1([H])C([H])([H])OP(=O)[O-]",
+            "atom_name": ["HO3'", "O3'", "C3'", "H3'", "C2'", "H2'", "H2''", "C1'", "H1'", "N1", "C2", "O2", "N3", "C4", "N4", "H41", "H42", "C5", "H5", "C6", "H6", "O4'", "C4'", "H4'", "C5'", "H5'", "H5''", "O5'", "P", "OP1", "OP2"],
+            "link_labels": {"28": "5-prime"}
+        },
+        "DC5p": {
+            "smiles": "[H]C1=C([H])N(C2([H])OC([H])(C([H])([H])OP(=O)([O-])[O-])C([H])(O)C2([H])[H])C(=O)N=C1N([H])[H]",
+            "atom_name": ["H5", "C5", "C6", "H6", "N1", "C1'", "H1'", "O4'", "C4'", "H4'", "C5'", "H5'", "H5''", "O5'", "P", "OP1", "OP3", "OP2", "C3'", "H3'", "O3'", "C2'", "H2'", "H2''", "C2", "O2", "N3", "C4", "N4", "H41", "H42"],
+            "link_labels": {"20": "3-prime"}
+        },
+        "DC5": {
+            "smiles": "[H]OC([H])([H])C1([H])OC([H])(N2C(=O)N=C(N([H])[H])C([H])=C2[H])C([H])([H])C1([H])O",
+            "atom_name": ["H43", "O5'", "C5'", "H5'", "H5''", "C4'", "H4'", "O4'", "C1'", "H1'", "N1", "C2", "O2", "N3", "C4", "N4", "H41", "H42", "C5", "H5", "C6", "H6", "C2'", "H2'", "H2''", "C3'", "H3'", "O3'"],
+            "link_labels": {"27": "3-prime"}
+        },
+        "DG": {
+            "smiles": "[H]C1=NC2=C(N=C(N([H])[H])N([H])C2=O)N1C1([H])OC([H])(C([H])([H])OP(=O)[O-])C([H])(O)C1([H])[H]",
+            "atom_name": ["H8", "C8", "N7", "C5", "C4", "N3", "C2", "N2", "H21", "H22", "N1", "H1", "C6", "O6", "N9", "C1'", "H1'", "O4'", "C4'", "H4'", "C5'", "H5'", "H5''", "O5'", "P", "OP1", "OP2", "C3'", "H3'", "O3'", "C2'", "H2'", "H2''"],
+            "link_labels": {"24": "5-prime", "29": "3-prime"}
+        },
+        "DG3": {
+            "smiles": "[H]OC1([H])C([H])([H])C([H])(N2C([H])=NC3=C2N=C(N([H])[H])N([H])C3=O)OC1([H])C([H])([H])OP(=O)[O-]",
+            "atom_name": ["HO3'", "O3'", "C3'", "H3'", "C2'", "H2'", "H2''", "C1'", "H1'", "N9", "C8", "H8", "N7", "C5", "C4", "N3", "C2", "N2", "H21", "H22", "N1", "H1", "C6", "O6", "O4'", "C4'", "H4'", "C5'", "H5'", "H5''", "O5'", "P", "OP1", "OP2"],
+            "link_labels": {"31": "5-prime"}
+        },
+        "DG5p": {
+            "smiles": "[H]C1=NC2=C(N=C(N([H])[H])N([H])C2=O)N1C1([H])OC([H])(C([H])([H])OP(=O)([O-])[O-])C([H])(O)C1([H])[H]",
+            "atom_name": ["H8", "C8", "N7", "C5", "C4", "N3", "C2", "N2", "H21", "H22", "N1", "H1", "C6", "O6", "N9", "C1'", "H1'", "O4'", "C4'", "H4'", "C5'", "H5'", "H5''", "O5'", "P", "OP1", "OP3", "OP2", "C3'", "H3'", "O3'", "C2'", "H2'", "H2''"],
+            "link_labels": {"30": "3-prime"}
+        },
+        "DG5": {
+            "smiles": "[H]OC([H])([H])C1([H])OC([H])(N2C([H])=NC3=C2N=C(N([H])[H])N([H])C3=O)C([H])([H])C1([H])O",
+            "atom_name": ["H23", "O5'", "C5'", "H5'", "H5''", "C4'", "H4'", "O4'", "C1'", "H1'", "N9", "C8", "H8", "N7", "C5", "C4", "N3", "C2", "N2", "H21", "H22", "N1", "H1", "C6", "O6", "C2'", "H2'", "H2''", "C3'", "H3'", "O3'"],
+            "link_labels": {"30": "3-prime"}
+        },
 		"ALA": {
 			"smiles": "C(=O)C([H])(N[H])C([H])([H])[H]",
 			"atom_name": ["C", "O", "CA", "HA", "N", "H", "CB", "HB1", "HB2", "HB3"],

From b0599766571fc37aee0a7d8b6a744053917e5588 Mon Sep 17 00:00:00 2001
From: Amy He <ayhe1768@gmail.com>
Date: Thu, 17 Oct 2024 12:48:36 -0700
Subject: [PATCH 074/166] (WIP) manage key error for unknown residues

---
 meeko/linked_rdkit_chorizo.py | 12 ++++++++++++
 1 file changed, 12 insertions(+)

diff --git a/meeko/linked_rdkit_chorizo.py b/meeko/linked_rdkit_chorizo.py
index 17f696ae..50df8940 100644
--- a/meeko/linked_rdkit_chorizo.py
+++ b/meeko/linked_rdkit_chorizo.py
@@ -687,6 +687,18 @@ def __init__(
             raise ValueError(msg)
         bonds = {k: v[0] for k, v in bonds.items()}
 
+        # check if input assigned residue name in residue_templates
+        err = ""
+        unknown_res_from_input = set(res_id for res_id in raw_input_mols if raw_input_mols[res_id][1] not in residue_templates)
+        if len(unknown_res_from_input) > 0:
+            err += f"Input residue names {set(raw_input_mols[res_id][1] for res_id in unknown_res_from_input)} not in residue_templates" + os_linesep
+        if set_template is not None:
+            unknown_res_from_assign = set(res_id for res_id in set_template if set_template[res_id] not in residue_templates)
+            if len(unknown_res_from_input) > 0:
+                err += f"Assigned residue names {set(set_template[res_id] for res_id in unknown_res_from_assign)} not in residue_templates" + os_linesep
+        if err: 
+            raise ValueError(f"{err}")
+
         self.residues, self.log = self._get_residues(
             raw_input_mols,
             ambiguous,

From 08d757519704a662dd25e40daeefaeff2ffd9cf9 Mon Sep 17 00:00:00 2001
From: Amy He <ayhe1768@gmail.com>
Date: Thu, 17 Oct 2024 12:50:06 -0700
Subject: [PATCH 075/166] add templates missing bc download timeout

---
 meeko/data/NAKB_templates.json | 58 ++++++++++++++++++++++++++++++++++
 1 file changed, 58 insertions(+)

diff --git a/meeko/data/NAKB_templates.json b/meeko/data/NAKB_templates.json
index fc74f33e..b13c3292 100644
--- a/meeko/data/NAKB_templates.json
+++ b/meeko/data/NAKB_templates.json
@@ -176,6 +176,9 @@
         "LV2": ["LV2", "LV23", "LV25p", "LV25"],
         "OHU": ["OHU", "OHU3", "OHU5p", "OHU5"],
         "PRN": ["PRN", "PRN3", "PRN5p", "PRN5"],
+        "TCY": ["TCY", "TCY3", "TCY5p", "TCY5"],
+        "UTP": ["UTP", "UTP3", "UTP5p"],
+        "WVQ": ["WVQ", "WVQ3", "WVQ5p", "WVQ5"],
         "0A": ["0A", "0A3", "0A5p", "0A5"],
         "1DP": ["1DP", "1DP3", "1DP5p", "1DP5"],
         "2EG": ["2EG", "2EG3", "2EG5p", "2EG5"],
@@ -3842,6 +3845,61 @@
             "atom_name": ["H9", "O5'", "C5'", "H5'", "H5''", "C4'", "H4'", "O4'", "C1'", "H1'", "N9", "C8", "H8", "N7", "C5", "C4", "N3", "C2", "H2", "N1", "C6", "H6", "C2'", "H2'", "H2''", "C3'", "H3'", "O3'"],
             "link_labels": {"27": "3-prime"}
         },
+        "TCY": {
+            "smiles": "[H]C1=NC(N([H])[H])=C2N=C([H])N(C3([H])OC4([H])C(O)(C3([H])[H])C([H])([H])C3([H])C([H])([H])C43OP(=O)[O-])C2=N1",
+            "atom_name": ["H2", "C2", "N1", "C6", "N6", "HN6", "HN6A", "C5", "N7", "C8", "H8", "N9", "C1'", "H1'", "O4'", "C4'", "H4'", "C3'", "O3'", "C2'", "H2'", "H2'A", "C7'", "H7'", "H7'A", "C6'", "H6'", "C8'", "H8'", "H8'A", "C5'", "O5'", "P", "O1P", "O2P", "C4", "N3"],
+            "link_labels": {"32": "5-prime", "18": "3-prime"}
+        },
+        "TCY3": {
+            "smiles": "[H]OC12C([H])([H])C([H])(N3C([H])=NC4=C(N([H])[H])N=C([H])N=C43)OC1([H])C1(OP(=O)[O-])C([H])([H])C1([H])C2([H])[H]",
+            "atom_name": ["HO3'", "O3'", "C3'", "C2'", "H2'", "H2'A", "C1'", "H1'", "N9", "C8", "H8", "N7", "C5", "C6", "N6", "HN6", "HN6A", "N1", "C2", "H2", "N3", "C4", "O4'", "C4'", "H4'", "C5'", "O5'", "P", "O1P", "O2P", "C8'", "H8'", "H8'A", "C6'", "H6'", "C7'", "H7'", "H7'A"],
+            "link_labels": {"27": "5-prime"}
+        },
+        "TCY5p": {
+            "smiles": "[H]C1=NC(N([H])[H])=C2N=C([H])N(C3([H])OC4([H])C(O)(C3([H])[H])C([H])([H])C3([H])C([H])([H])C43OP(=O)([O-])[O-])C2=N1",
+            "atom_name": ["H2", "C2", "N1", "C6", "N6", "HN6", "HN6A", "C5", "N7", "C8", "H8", "N9", "C1'", "H1'", "O4'", "C4'", "H4'", "C3'", "O3'", "C2'", "H2'", "H2'A", "C7'", "H7'", "H7'A", "C6'", "H6'", "C8'", "H8'", "H8'A", "C5'", "O5'", "P", "O1P", "O3P", "O2P", "C4", "N3"],
+            "link_labels": {"18": "3-prime"}
+        },
+        "TCY5": {
+            "smiles": "[H]OC12C([H])([H])C1([H])C([H])([H])C1(O)C([H])([H])C([H])(N3C([H])=NC4=C(N([H])[H])N=C([H])N=C43)OC12[H]",
+            "atom_name": ["H9", "O5'", "C5'", "C8'", "H8'", "H8'A", "C6'", "H6'", "C7'", "H7'", "H7'A", "C3'", "O3'", "C2'", "H2'", "H2'A", "C1'", "H1'", "N9", "C8", "H8", "N7", "C5", "C6", "N6", "HN6", "HN6A", "N1", "C2", "H2", "N3", "C4", "O4'", "C4'", "H4'"],
+            "link_labels": {"12": "3-prime"}
+        },
+        "UTP": {
+            "smiles": "[H]OC1([H])C([H])(N2C(=O)N([H])C(=O)C([H])=C2[H])OC([H])(C([H])([H])OP(=O)OP(=O)([O-])OP(=O)([O-])[O-])C1([H])O",
+            "atom_name": ["HA", "O2'", "C2'", "H2'", "C1'", "H1'", "N1", "C2", "O2", "N3", "H3", "C4", "O4", "C5", "H5", "C6", "H6", "O4'", "C4'", "H4'", "C5'", "H5'1", "H5'2", "O5'", "PA", "O1A", "O3A", "PB", "O2B", "O1B", "O3B", "PG", "O2G", "O1G", "O3G", "C3'", "H3'", "O3'"],
+            "link_labels": {"24": "5-prime", "37": "3-prime"}
+        },
+        "UTP3": {
+            "smiles": "[H]OC1([H])C([H])(N2C(=O)N([H])C(=O)C([H])=C2[H])OC([H])(C([H])([H])OP(=O)OP(=O)([O-])OP(=O)([O-])[O-])C1([H])O[H]",
+            "atom_name": ["HA", "O2'", "C2'", "H2'", "C1'", "H1'", "N1", "C2", "O2", "N3", "H3", "C4", "O4", "C5", "H5", "C6", "H6", "O4'", "C4'", "H4'", "C5'", "H5'1", "H5'2", "O5'", "PA", "O1A", "O3A", "PB", "O2B", "O1B", "O3B", "PG", "O2G", "O1G", "O3G", "C3'", "H3'", "O3'", "HB"],
+            "link_labels": {"24": "5-prime"}
+        },
+        "UTP5p": {
+            "smiles": "[H]OC1([H])C([H])(N2C(=O)N([H])C(=O)C([H])=C2[H])OC([H])(C([H])([H])OP(=O)([O-])OP(=O)([O-])OP(=O)([O-])[O-])C1([H])O",
+            "atom_name": ["HA", "O2'", "C2'", "H2'", "C1'", "H1'", "N1", "C2", "O2", "N3", "H3", "C4", "O4", "C5", "H5", "C6", "H6", "O4'", "C4'", "H4'", "C5'", "H5'1", "H5'2", "O5'", "PA", "O1A", "O2A", "O3A", "PB", "O2B", "O1B", "O3B", "PG", "O2G", "O1G", "O3G", "C3'", "H3'", "O3'"],
+            "link_labels": {"38": "3-prime"}
+        },
+        "WVQ": {
+            "smiles": "[H]C(=O)N=C1C(=O)N=C(N([H])[H])N=C1N([H])C1([H])OC([H])(C([H])([H])OP(=O)[O-])C([H])(O)C1([H])[H]",
+            "atom_name": ["H3", "C8", "O8", "N7", "C5", "C6", "O6", "N1", "C2", "N2", "H1", "H2", "N3", "C4", "N9", "H11", "C1'", "H4", "O4'", "C4'", "H8", "C5'", "H9", "H10", "O5'", "P", "OP1", "O1", "C3'", "H7", "O3'", "C2'", "H5", "H6"],
+            "link_labels": {"25": "5-prime", "30": "3-prime"}
+        },
+        "WVQ3": {
+            "smiles": "[H]OC1([H])C([H])([H])C([H])(N([H])C2=NC(N([H])[H])=NC(=O)C2=NC([H])=O)OC1([H])C([H])([H])OP(=O)[O-]",
+            "atom_name": ["H12", "O3'", "C3'", "H7", "C2'", "H5", "H6", "C1'", "H4", "N9", "H11", "C4", "N3", "C2", "N2", "H1", "H2", "N1", "C6", "O6", "C5", "N7", "C8", "H3", "O8", "O4'", "C4'", "H8", "C5'", "H9", "H10", "O5'", "P", "OP1", "O1"],
+            "link_labels": {"32": "5-prime"}
+        },
+        "WVQ5p": {
+            "smiles": "[H]C(=O)N=C1C(=O)N=C(N([H])[H])N=C1N([H])C1([H])OC([H])(C([H])([H])OP(=O)([O-])[O-])C([H])(O)C1([H])[H]",
+            "atom_name": ["H3", "C8", "O8", "N7", "C5", "C6", "O6", "N1", "C2", "N2", "H1", "H2", "N3", "C4", "N9", "H11", "C1'", "H4", "O4'", "C4'", "H8", "C5'", "H9", "H10", "O5'", "P", "OP1", "OP2", "O1", "C3'", "H7", "O3'", "C2'", "H5", "H6"],
+            "link_labels": {"31": "3-prime"}
+        },
+        "WVQ5": {
+            "smiles": "[H]OC([H])([H])C1([H])OC([H])(N([H])C2=NC(N([H])[H])=NC(=O)C2=NC([H])=O)C([H])([H])C1([H])O",
+            "atom_name": ["H12", "O5'", "C5'", "H9", "H10", "C4'", "H8", "O4'", "C1'", "H4", "N9", "H11", "C4", "N3", "C2", "N2", "H1", "H2", "N1", "C6", "O6", "C5", "N7", "C8", "H3", "O8", "C2'", "H5", "H6", "C3'", "H7", "O3'"],
+            "link_labels": {"31": "3-prime"}
+        },
         "0A": {
             "smiles": "[H]OC1([H])C([H])(N2C([H])=NC3=C2N=C([H])N=C3N([H])[H])OC([H])(C([H])([H])OP(=O)[O-])C1([H])O",
             "atom_name": ["HO2'", "O2'", "C2'", "H2'", "C1'", "H1'", "N9", "C8", "H8", "N7", "C5", "C4", "N3", "C2", "H2", "N1", "C6", "N6", "HN6", "HN6A", "O4'", "C4'", "H4'", "C5'", "H5'", "H5'A", "O5'", "P", "OP1", "OP3", "C3'", "H3'", "O3'"],

From 4b7ca2204ae450cc90624577034f6face358d1f5 Mon Sep 17 00:00:00 2001
From: Amy He <ayhe1768@gmail.com>
Date: Thu, 17 Oct 2024 15:08:30 -0700
Subject: [PATCH 076/166] working version of guess templates for noncovalent
 cofactors

---
 meeko/linked_rdkit_chorizo.py | 27 ++++++++++++++++++++++++---
 1 file changed, 24 insertions(+), 3 deletions(-)

diff --git a/meeko/linked_rdkit_chorizo.py b/meeko/linked_rdkit_chorizo.py
index 50df8940..f6dc2a94 100644
--- a/meeko/linked_rdkit_chorizo.py
+++ b/meeko/linked_rdkit_chorizo.py
@@ -661,6 +661,7 @@ def __init__(
             raise ValueError(msg)
         self.residue_chem_templates = residue_chem_templates
         residue_templates = residue_chem_templates.residue_templates
+        print(residue_templates)
         padders = residue_chem_templates.padders
         ambiguous = residue_chem_templates.ambiguous
 
@@ -689,15 +690,33 @@ def __init__(
 
         # check if input assigned residue name in residue_templates
         err = ""
-        unknown_res_from_input = set(res_id for res_id in raw_input_mols if raw_input_mols[res_id][1] not in residue_templates)
+        unknown_res_from_input = set(res_id for res_id in raw_input_mols if raw_input_mols[res_id][1] not in residue_templates.keys() | ambiguous.keys())
         if len(unknown_res_from_input) > 0:
             err += f"Input residue names {set(raw_input_mols[res_id][1] for res_id in unknown_res_from_input)} not in residue_templates" + os_linesep
         if set_template is not None:
-            unknown_res_from_assign = set(res_id for res_id in set_template if set_template[res_id] not in residue_templates)
+            unknown_res_from_assign = set(res_id for res_id in set_template if set_template[res_id] not in residue_templates.keys() | ambiguous.keys())
             if len(unknown_res_from_input) > 0:
                 err += f"Assigned residue names {set(set_template[res_id] for res_id in unknown_res_from_assign)} not in residue_templates" + os_linesep
         if err: 
-            raise ValueError(f"{err}")
+            print(err)
+            import sys, importlib.util
+            script_path = '/Users/amyhe/Desktop/0_forks/gemile/chemtempgen.py'
+            # Load the module dynamically
+            spec = importlib.util.spec_from_file_location("chemtempgen", script_path)
+            chemtempgen = importlib.util.module_from_spec(spec)
+            sys.modules["chemtempgen"] = chemtempgen
+            spec.loader.exec_module(chemtempgen)
+
+            unknown_res =  set(raw_input_mols[res_id][1] for res_id in unknown_res_from_input) | set(set_template[res_id] for res_id in unknown_res_from_assign)
+            for resname in unknown_res: 
+                cc = chemtempgen.make_noncovalent(resname)
+                guess_template_dict = json.loads(chemtempgen.export_chem_templates_to_json([cc]))['residue_templates'][resname]
+                residue_templates.update({resname: 
+                                          ResidueTemplate(
+                                              smiles = guess_template_dict['smiles'],
+                                              atom_names = guess_template_dict['atom_name'],
+                                              link_labels = guess_template_dict['link_labels'])})
+            # raise ValueError(f"{err}")
 
         self.residues, self.log = self._get_residues(
             raw_input_mols,
@@ -2299,6 +2318,8 @@ def check(self, mol, link_labels, atom_names):
         #    raise ValueError(f"each array in data must have the same length, but got {data_lengths=}")
         # data_length = data_lengths.pop()
         if len(atom_names) != mol.GetNumAtoms():
+            print(Chem.MolToSmiles(mol, allHsExplicit = True))
+            print(atom_names)
             raise ValueError(f"{len(atom_names)=} differs from {mol.GetNumAtoms()=}")
         return
 

From bf325af766d440a152f7b56809d771170b9a1857 Mon Sep 17 00:00:00 2001
From: Amy He <ayhe1768@gmail.com>
Date: Thu, 17 Oct 2024 15:52:28 -0700
Subject: [PATCH 077/166] use context manager to suppress RDKit Log

---
 meeko/chemtempgen.py          | 666 ++++++++++++++++++++++++++++++++++
 meeko/linked_rdkit_chorizo.py |  25 +-
 2 files changed, 675 insertions(+), 16 deletions(-)
 create mode 100644 meeko/chemtempgen.py

diff --git a/meeko/chemtempgen.py b/meeko/chemtempgen.py
new file mode 100644
index 00000000..f8385de5
--- /dev/null
+++ b/meeko/chemtempgen.py
@@ -0,0 +1,666 @@
+import gemmi
+import json
+from pathlib import Path
+import copy
+import urllib.request
+import time
+import tempfile
+
+from rdkit import Chem
+from rdkit.Chem import rdmolops
+
+from rdkit import RDLogger
+logger = RDLogger.logger()
+logger.setLevel(RDLogger.CRITICAL)
+import sys, logging
+logging.basicConfig(stream=sys.stdout, level=logging.WARNING)
+
+
+# Constants from Meeko
+covalent_radius = {  # from wikipedia
+    1: 0.31,
+    5: 0.84,
+    6: 0.76,
+    7: 0.71,
+    8: 0.66,
+    9: 0.57,
+    12: 0.00,  # hack to avoid bonds with metals
+    14: 1.11,
+    15: 1.07,
+    16: 1.05,
+    17: 1.02,
+    # 19: 2.03,
+    20: 0.00,
+    # 24: 1.39,
+    25: 0.00,  # hack to avoid bonds with metals
+    26: 0.00,
+    30: 0.00,  # hack to avoid bonds with metals
+    # 34: 1.20,
+    35: 1.20,
+    53: 1.39,
+}
+list_of_AD_elements_as_AtomicNum = list(covalent_radius.keys())
+
+
+# Utility Functions
+def mol_contains_unexpected_element(mol: Chem.Mol, allowed_elements: list[str] = list_of_AD_elements_as_AtomicNum) -> bool:
+    """Check if rwmol contains unexpected elements"""
+    for atom in mol.GetAtoms():
+        if atom.GetAtomicNum() not in allowed_elements:
+            return True
+    return False
+
+
+def get_atom_idx_by_names(mol: Chem.Mol, wanted_names: set[str] = set()) -> set[int]:
+    
+    if not wanted_names:
+        return set()
+    
+    wanted_atoms_by_names = {atom for atom in mol.GetAtoms() if atom.GetProp('atom_id') in wanted_names}
+    names_not_found = wanted_names.difference({atom.GetProp('atom_id') for atom in wanted_atoms_by_names})
+    if names_not_found: 
+        logging.warning(f"Molecule doesn't contain the requested atoms with names: {names_not_found} -> continue with found names... ")
+    return {atom.GetIdx() for atom in wanted_atoms_by_names}
+
+
+def get_atom_idx_by_patterns(mol: Chem.Mol, allowed_smarts: str, 
+                             wanted_smarts_loc: dict[str, set[int]] = None,
+                             allow_multiple: bool=False) -> set[int]:
+    
+    if wanted_smarts_loc is None:
+        return set()
+    
+    wanted_atoms_idx = set()
+    
+    tmol = Chem.MolFromSmarts(allowed_smarts)
+    match_allowed = mol.GetSubstructMatches(tmol)
+    if not match_allowed:
+        logging.warning(f"Molecule doesn't contain allowed_smarts: {allowed_smarts} -> no pattern-based action will be made. ")
+        return set()
+    if len(match_allowed) > 1 and not allow_multiple: 
+        logging.warning(f"Molecule contain multiple copies of allowed_smarts: {allowed_smarts} -> no pattern-based action will be made. ")
+        return set()
+    if len(match_allowed) > 1 and allow_multiple:
+        match_allowed = set(item for sublist in match_allowed for item in sublist)
+    else:
+        match_allowed = match_allowed[0]
+    
+    for wanted_smarts in wanted_smarts_loc: 
+        lmol = Chem.MolFromSmarts(wanted_smarts)
+        match_wanted = mol.GetSubstructMatches(lmol)
+        if not match_wanted:
+            logging.warning(f"Molecule doesn't contain wanted_smarts: {wanted_smarts} -> continue with next pattern... ")
+            continue
+        for match_copy in match_wanted:
+            match_in_copy = [idx for idx in match_copy if match_copy.index(idx) in wanted_smarts_loc[wanted_smarts]]
+            match_wanted_atoms = {mol.GetAtomWithIdx(idx) for idx in match_in_copy if idx in match_allowed}
+            if match_wanted_atoms: 
+                wanted_atoms_idx.update(atom.GetIdx() for atom in match_wanted_atoms)
+    
+    return wanted_atoms_idx
+
+
+# Mol Editing Functions
+def embed(mol: Chem.Mol, allowed_smarts: str, 
+          leaving_names: set[str] = None, leaving_smarts_loc: dict[str, set[int]] = None, 
+          alsoHs: bool = True) -> Chem.Mol:
+    """
+    Remove atoms from the molecule based the union of
+    (a) leaving_names: list of atom IDs (names), and
+    (b) leaving_smarts_loc: dict to map substructure SMARTS patterns with 
+    tuple of 0-based indicies for atoms to delete (restricted by allowed_smarts)
+    """
+    if leaving_names is None and leaving_smarts_loc is None:
+        return mol
+
+    leaving_atoms_idx = set()
+
+    if leaving_names:
+        leaving_atoms_idx.update(get_atom_idx_by_names(mol, leaving_names))
+
+    if leaving_smarts_loc:
+        leaving_atoms_idx.update(get_atom_idx_by_patterns(mol, allowed_smarts, leaving_smarts_loc))
+
+    if leaving_atoms_idx and alsoHs:
+        leaving_Hs = [ne for atom_idx in leaving_atoms_idx for ne in mol.GetAtomWithIdx(atom_idx).GetNeighbors() if ne.GetAtomicNum() == 1]
+        leaving_atoms_idx.update(atom.GetIdx() for atom in leaving_Hs)
+
+    if not leaving_atoms_idx:
+        logging.warning(f"No matched atoms to delete -> embed returning original mol...")
+        return mol
+    
+    rwmol = Chem.RWMol(mol)
+    for atom_idx in sorted(leaving_atoms_idx, reverse=True): 
+        rwmol.RemoveAtom(atom_idx)
+    rwmol.UpdatePropertyCache()
+    return rwmol.GetMol()
+
+
+def cap(mol: Chem.Mol, allowed_smarts: str, 
+        capping_names: set[str] = None, capping_smarts_loc: dict[str, set[int]] = None) -> Chem.Mol:
+    """Add hydrogens to atoms with implicit hydrogens based on the union of
+    (a) capping_names: list of atom IDs (names), and
+    (b) capping_smarts_loc: dict to map substructure SMARTS patterns with 
+    tuple of 0-based indicies for atoms."""
+   
+    if capping_names is None and capping_smarts_loc is None:
+        return mol
+    
+    capping_atoms_idx = set()
+    
+    if capping_names:
+        capping_atoms_idx.update(get_atom_idx_by_names(mol, capping_names))
+
+    if capping_smarts_loc:
+        capping_atoms_idx.update(get_atom_idx_by_patterns(mol, allowed_smarts, capping_smarts_loc, allow_multiple = True))
+
+    if not capping_atoms_idx:
+        logging.warning(f"No matched atoms to cap -> cap returning original mol...")
+        return mol
+    
+    def get_max_Hid(mol: Chem.Mol) -> int:
+        all_Hids = [atom.GetProp('atom_id') for atom in mol.GetAtoms() if atom.GetAtomicNum()==1]
+        regular_ids = [Hid for Hid in all_Hids if Hid[0]=='H' and Hid[1:].isdigit()]
+        if len(regular_ids) > 0:
+            return max(int(x[1:]) for x in regular_ids)
+        else:
+            return 0
+    
+    rwmol = Chem.RWMol(mol)
+    new_Hid = get_max_Hid(mol) + 1
+    for atom_idx in capping_atoms_idx:
+        needed_Hs = mol.GetAtomWithIdx(atom_idx).GetNumImplicitHs()
+        if needed_Hs == 0:
+            logging.warning(f"Atom # {atom_idx} ({mol.GetAtomWithIdx(atom_idx).GetProp('atom_id')}) in mol doesn't have implicit Hs -> continue with next atom... ")
+        else:
+            new_atom = Chem.Atom("H")
+            new_atom.SetProp('atom_id', f"H{new_Hid}")
+            new_Hid += 1
+            new_idx = rwmol.AddAtom(new_atom)
+            rwmol.AddBond(atom_idx, new_idx, Chem.BondType.SINGLE)
+    rwmol.UpdatePropertyCache()
+    return rwmol.GetMol()
+
+
+def deprotonate(mol, acidic_proton_loc: dict[str, int] = None) -> Chem.Mol:
+    """Remove acidic protons from the molecule based on acidic_proton_loc"""
+    # acidic_proton_loc is a mapping 
+    # keys: smarts pattern of a fragment
+    # value: the index (order in smarts) of the leaving proton
+
+    if acidic_proton_loc is None:
+        return mol
+
+    # deprotonate all matched protons
+    acidic_protons_idx = set()
+    for smarts_pattern, idx in acidic_proton_loc.items():
+        qmol = Chem.MolFromSmarts(smarts_pattern)
+        acidic_protons_idx.update(match[idx] for match in mol.GetSubstructMatches(qmol))
+    
+    if not acidic_protons_idx:
+        logging.warning(f"Molecule doesn't contain matching  with acidic_proton_loc {acidic_proton_loc} -> deprotonate returning original mol... ")
+        return mol
+     
+    rwmol = Chem.RWMol(mol)
+    for atom_idx in sorted(acidic_protons_idx, reverse=True):
+        rwmol.RemoveAtom(atom_idx)
+        neighbors = mol.GetAtomWithIdx(atom_idx).GetNeighbors()
+        if neighbors:
+            neighbor_atom = rwmol.GetAtomWithIdx(neighbors[0].GetIdx())
+            neighbor_atom.SetFormalCharge(neighbor_atom.GetFormalCharge() - 1)
+    
+    rwmol.UpdatePropertyCache()
+    return rwmol.GetMol()
+
+
+# Output Formatters
+def get_smiles_with_atom_names(mol: Chem.Mol) -> tuple[str, list[str]]:
+    """Generate SMILES with atom names in the order of SMILES output."""
+    # allHsExplicit may expose the implicit Hs of linker atoms to Smiles; the implicit Hs don't have names
+    smiles_exh = Chem.MolToSmiles(mol, allHsExplicit=True)
+
+    smiles_atom_output_order = mol.GetProp('_smilesAtomOutputOrder')
+    delimiters = ['[', ']', ',']
+    for delimiter in delimiters:
+        smiles_atom_output_order = smiles_atom_output_order.replace(delimiter, ' ')
+    smiles_output_order = [int(x) for x in smiles_atom_output_order.split()]
+
+    atom_name = [mol.GetAtomWithIdx(atom_i).GetProp('atom_id') for atom_i in smiles_output_order]
+
+    return smiles_exh, atom_name
+
+
+def get_pretty_smiles(smi: str) -> str: 
+    """Convert Smiles with allHsExplicit to pretty Smiles to be put on chem templates"""
+    # collect the inside square brackets contents
+    contents = set()
+    inside_bracket = False
+    for char in smi:
+        if char == '[':
+            inside_bracket = True
+            content = ""
+        elif char == ']' and inside_bracket:
+            inside_bracket = False
+            contents.add(content)
+        elif inside_bracket:
+            content += char
+
+    def is_chemical_element(symbol: str) -> bool:
+        """Check if a string represents a valid chemical element."""
+        try:
+            return Chem.GetPeriodicTable().GetAtomicNumber(symbol) > 0
+        # rdkit throws RuntimeError if invalid
+        except RuntimeError:
+            return False
+
+    for content in contents:
+        # keep [H] for explicit Hs
+        if content == 'H': 
+            continue
+        # drop H in the content to hide implicit Hs
+        H_stripped = content.split('H')[0]
+        # drop [ ] if the content is an uncharged element symbol
+        if is_chemical_element(content) or is_chemical_element(H_stripped):
+            smi = smi.replace(f"[{content}]", f"{H_stripped}" if 'H' in content else f"{content}")
+    return smi
+
+
+class ChemicalComponent_LoggingControler:
+
+    def __init__(self):
+        self.logger = logging.getLogger('ChemicalComponent')
+        self.original_level = self.logger.level
+        self.rdkit_logger = RDLogger.logger()
+        self.default_rdkit_level = RDLogger.WARNING
+
+    def __enter__(self):
+        self.rdkit_logger.setLevel(RDLogger.CRITICAL)
+        self.logger.setLevel(logging.WARNING)
+        handler = logging.StreamHandler(sys.stdout)
+        self.logger.addHandler(handler)
+        return self
+    
+    def __exit__(self, exc_type, exc_value, traceback):
+        self.rdkit_logger.setLevel(self.default_rdkit_level)
+        self.logger.setLevel(self.original_level)
+        for handler in self.logger.handlers:
+            self.logger.removeHandler(handler)
+
+
+class ChemicalComponent:
+
+    def __init__(self, rdkit_mol: Chem.Mol, resname: str, smiles_exh: str, atom_name: list[str]):
+        self.rdkit_mol = rdkit_mol
+        self.resname = resname
+        self.parent = resname # default parent to itself
+        self.smiles_exh = smiles_exh
+        self.atom_name = atom_name
+        self.link_labels = {} # default to empty dict (free molecular form)
+
+    def __eq__(self, other):
+        if isinstance(other, ChemicalComponent):
+            return self.smiles_exh == other.smiles_exh and self.atom_name == other.atom_name
+        return False
+
+    @classmethod
+    def from_cif(cls, source_cif: str, resname: str):
+        """Create ChemicalComponent from a chemical component dict file and a searchable residue name in file."""
+        
+        # Locate block by resname
+        doc = gemmi.cif.read(source_cif)
+        block = doc.find_block(resname)
+        
+        # Populate atom table
+        atom_category = '_chem_comp_atom.'
+        atom_attributes = ['atom_id', # atom names
+                           'type_symbol', # atom elements
+                           'charge', # (atomic) formal charges
+                           'pdbx_leaving_atom_flag', # flags for leaving atoms after polymerization
+                           ]
+        atom_table = block.find(atom_category, atom_attributes)
+        atom_cols = {attr: atom_table.find_column(f"{atom_category}{attr}") for attr in atom_attributes}
+
+        # Summon rdkit atoms into empty RWMol
+        rwmol = Chem.RWMol()
+        atom_elements = atom_cols['type_symbol']
+
+        for idx, element in enumerate(atom_elements):
+            if len(element)==2:
+                element = element[0] + element[1].lower()
+            rdkit_atom = Chem.Atom(element)
+            for attr in atom_attributes:
+                rdkit_atom.SetProp(attr, atom_cols[attr][idx])
+                # strip double quotes in names
+                raw_name = rdkit_atom.GetProp('atom_id')
+                rdkit_atom.SetProp('atom_id', raw_name.strip('"'))
+            target_charge = atom_cols['charge'][idx]
+            if target_charge!='0':
+                rdkit_atom.SetFormalCharge(int(target_charge)) # this needs to be int for rdkit
+            rwmol.AddAtom(rdkit_atom)
+
+        # Check if rwmol contains unexpected elements
+        if mol_contains_unexpected_element(rwmol):
+            logging.warning(f"Molecule contains unexpected elements -> template for {resname} will be None. ")
+            return None
+
+        # Map atom_id (atom names) with rdkit idx
+        name_to_idx_mapping = {atom.GetProp('atom_id'): idx for (idx, atom) in enumerate(rwmol.GetAtoms())}
+
+        # Populate bond table
+        bond_category = '_chem_comp_bond.'
+        bond_attributes = ['atom_id_1', # atom name 1
+                           'atom_id_2', # atom name 2
+                           'value_order', # bond order
+                           ]
+        bond_table = block.find(bond_category, bond_attributes)
+        bond_cols = {attr: bond_table.find_column(f"{bond_category}{attr}") for attr in bond_attributes}
+
+        # Connect atoms by bonds
+        bond_type_mapping = {
+            'SING': Chem.BondType.SINGLE,
+            'DOUB': Chem.BondType.DOUBLE,
+            'TRIP': Chem.BondType.TRIPLE,
+            'AROM': Chem.BondType.AROMATIC
+        }
+        bond_types = bond_cols['value_order']
+
+        for bond_i, bond_type in enumerate(bond_types):
+            rwmol.AddBond(name_to_idx_mapping[bond_cols['atom_id_1'][bond_i].strip('"')], 
+                          name_to_idx_mapping[bond_cols['atom_id_2'][bond_i].strip('"')], 
+                          bond_type_mapping.get(bond_type, Chem.BondType.UNSPECIFIED))
+
+        # Finish eidting mol 
+        try:    
+            rwmol.UpdatePropertyCache()
+        except Exception as e:
+            logging.error(f"Failed to create rdkitmol from cif. Error: {e} -> template for {resname} will be None. ")
+            return None
+        
+        # Check implicit Hs
+        total_implicit_hydrogens = sum(atom.GetNumImplicitHs() for atom in rwmol.GetAtoms())
+        if total_implicit_hydrogens > 0:
+            logging.error(f"rdkitmol from cif has implicit hydrogens. -> template for {resname} will be None. ")
+            return None
+
+        rdkit_mol = rwmol.GetMol()
+            
+        # Get Smiles with explicit Hs and ordered atom names
+        smiles_exh, atom_name = get_smiles_with_atom_names(rdkit_mol)
+        
+        return cls(rdkit_mol, resname, smiles_exh, atom_name)
+
+
+    def make_canonical(self, acidic_proton_loc):
+        """Deprotonate acidic groups til the canonical (most deprotonated) state."""
+        self.rdkit_mol = deprotonate(self.rdkit_mol, acidic_proton_loc = acidic_proton_loc)
+        return self
+
+    def make_embedded(self, allowed_smarts, leaving_names = None, leaving_smarts_loc = None):
+        """Remove leaving atoms from the molecule by atom names and/or patterns."""
+        self.rdkit_mol = embed(self.rdkit_mol, allowed_smarts = allowed_smarts, 
+                               leaving_names = leaving_names, leaving_smarts_loc = leaving_smarts_loc)
+        return self
+        
+    def make_capped(self, allowed_smarts, capping_names = None, capping_smarts_loc = None):
+        """Build and name explicit hydrogens for atoms with implicit Hs by atom names and/or patterns."""
+        self.rdkit_mol = cap(self.rdkit_mol, allowed_smarts = allowed_smarts, 
+                             capping_names = capping_names, capping_smarts_loc = capping_smarts_loc)
+        return self
+        
+    def make_pretty_smiles(self):
+        """Build and name explicit hydrogens for atoms with implicit Hs by atom names and/or patterns."""
+        self.smiles_exh, self.atom_name = get_smiles_with_atom_names(self.rdkit_mol)
+        self.smiles_exh = get_pretty_smiles(self.smiles_exh)
+        return self
+
+    def make_link_labels_from_patterns(self, pattern_to_label_mapping = {}):
+        """Map patterns to link labels based on a given mapping."""
+        if not pattern_to_label_mapping:
+            return self
+
+        for pattern in pattern_to_label_mapping:
+            atom_idx = get_atom_idx_by_patterns(self.rdkit_mol, allowed_smarts = Chem.MolToSmarts(self.rdkit_mol), 
+                                                wanted_smarts_loc = {pattern: {0}})
+            if not atom_idx:
+                logging.warning(f"Molecule doesn't contain pattern: {pattern} -> linker label for {pattern_to_label_mapping[pattern]} will not be made. ")
+            elif len(atom_idx) > 1:
+                logging.warning(f"Molecule contain multiple copies of pattern: {pattern} -> linker label for {pattern_to_label_mapping[pattern]} will not be made. ")
+            else:
+                atom_idx = next(iter(atom_idx))
+                name = self.rdkit_mol.GetAtomWithIdx(atom_idx).GetProp('atom_id')
+                self.link_labels.update({str(self.atom_name.index(name)): pattern_to_label_mapping[pattern]})
+
+        return self
+    
+    def make_link_labels_from_names(self, name_to_label_mapping = {}):
+        """Map atom names to link labels based on a given mapping."""
+        if not name_to_label_mapping:
+            return self
+
+        for atom in self.rdkit_mol.GetAtoms():
+            if atom.GetProp('atom_id') in name_to_label_mapping:
+                if atom.GetNumImplicitHs() > 0:
+                    name = atom.GetProp('atom_id')
+                    self.link_labels.update({str(self.atom_name.index(name)): name_to_label_mapping[name]})
+
+        return self
+    
+    def meeko_check(self):
+        smiles, link_labels, atom_names = [self.smiles_exh, self.link_labels, self.atom_name]
+        ps = Chem.SmilesParserParams()
+        ps.removeHs = False
+        mol = Chem.MolFromSmiles(smiles, ps)
+            
+        have_implicit_hs = set()
+        for atom in mol.GetAtoms():
+            if atom.GetNumImplicitHs() > 0:
+                have_implicit_hs.add(atom.GetIdx())
+        if set(int(atom_idx) for atom_idx in link_labels) != have_implicit_hs:
+            raise ValueError(
+                f"expected any atom with non-real Hs ({have_implicit_hs}) to be in {link_labels=}"
+            )
+        if atom_names is None:
+            return
+        if len(atom_names) != mol.GetNumAtoms():
+            raise ValueError(f"{len(atom_names)=} differs from {mol.GetNumAtoms()=}")
+        return
+
+
+# Export/Writer Function
+def export_chem_templates_to_json(cc_list: list[ChemicalComponent], json_fname: str=""):
+    """Export list of chem templates to json"""
+
+    basenames = []
+    for cc in cc_list:
+        if cc.parent and cc.parent not in basenames:
+            basenames.append(cc.parent)
+    ambiguous_dict = {basename:[] for basename in basenames}
+    for cc in cc_list:
+        ambiguous_dict[cc.parent].append(cc.resname)
+
+    data_to_export = {"ambiguous": {}}
+
+    residue_templates = {}
+    for cc in cc_list:
+        residue_templates[cc.resname] = {
+            "smiles": cc.smiles_exh,
+            "atom_name": cc.resname+".atom_names",
+        }
+        if cc.link_labels:
+            residue_templates[cc.resname]["link_labels"] = cc.resname+".link_labels"
+        else:
+            residue_templates[cc.resname]["link_labels"] = {}
+
+    data_to_export.update({"residue_templates": residue_templates})
+
+    json_str = json.dumps(data_to_export, indent = 4)
+
+    # format ambiguous resnames to one line
+    for basename in data_to_export["ambiguous"]:
+        single_line_resnames = json.dumps(data_to_export["ambiguous"][basename], separators=(', ', ': '))
+        json_str = json_str.replace(json.dumps(data_to_export["ambiguous"][basename], indent = 4), single_line_resnames)
+
+    # format link_labels and atom_name to one line
+    for cc in cc_list:
+        single_line_atom_name = json.dumps(cc.atom_name, separators=(', ', ': '))
+        json_str = json_str.replace(json.dumps(data_to_export["residue_templates"][cc.resname]["atom_name"], indent = 4), single_line_atom_name)
+        if cc.link_labels:
+            single_line_link_labels = json.dumps(cc.link_labels, separators=(', ', ': '))
+            json_str = json_str.replace(json.dumps(data_to_export["residue_templates"][cc.resname]["link_labels"], indent = 4), single_line_link_labels)
+
+    if json_fname:
+        with open(Path(json_fname), 'w') as f:
+            f.write(json_str)
+        print(f"{json_fname} <-- Json File for New Chemical Templates")
+    else:
+        print(json_str)
+        return json_str
+
+
+def fetch_from_pdb(resname: str, max_retries = 5, backoff_factor = 2) -> str: 
+    url = f"https://files.rcsb.org/ligands/download/{resname}.cif"
+    file_path = f"{resname}.cif"
+    for retry in range(max_retries):
+        try:
+            with urllib.request.urlopen(url) as response:
+                content = response.read()
+            logging.info(f"File downloaded successfully: {file_path}")
+            with tempfile.NamedTemporaryFile(delete=False, suffix=".cif") as temp_file:
+                temp_file.write(content)
+                return temp_file.name 
+            
+        except Exception as e:
+            if retry < max_retries - 1: 
+                wait_time = backoff_factor ** retry  
+                logging.info(f"Download failed for {resname}. Error: {e}. Retrying in {wait_time} seconds...")
+                time.sleep(wait_time)
+            else:
+                logging.error(f"Max retries reached. Could not download CIF file for {resname}. Error: {e}")
+                return None
+
+
+class ChemTempCreationError(Exception):
+    def __init__(self, message):
+        super().__init__(message)
+
+# Constants
+acidic_proton_loc_canonical = {
+        # any carboxylic acid, sulfuric/sulfonic acid/ester, phosphoric/phosphinic acid/ester
+        '[H][O]['+atom+'](=O)': 0 for atom in ('CX3', 'SX4', 'SX3', 'PX4', 'PX3')
+    } | {
+        # any thio carboxylic/sulfuric acid
+        '[H][O]['+atom+'](=S)': 0 for atom in ('CX3', 'SX4')
+    } | {
+        '[H][SX2][a]': 0, # thiophenol
+    }
+
+# Make free (noncovalent) CC
+def build_noncovalent_CC(basename: str) -> ChemicalComponent: 
+
+    with ChemicalComponent_LoggingControler(): 
+        cc_from_cif = ChemicalComponent.from_cif(fetch_from_pdb(basename), basename)
+        if cc_from_cif is None:
+            return None
+
+        cc = copy.deepcopy(cc_from_cif)
+        logger.info(f"*** using CCD residue {basename} to construct {cc.resname} ***")
+
+        cc = cc.make_canonical(acidic_proton_loc = acidic_proton_loc_canonical)
+        if len(rdmolops.GetMolFrags(cc.rdkit_mol))>1:
+            err = f"Template Generation failed for {cc.resname}. Error: Molecule breaks into fragments during the deleterious editing. "
+            logging.error(err)
+            raise ChemTempCreationError(err)
+
+        cc = cc.make_pretty_smiles()
+
+        # Try Meeko check
+        try:
+            cc.meeko_check()
+        except Exception as e:
+            err = f"Template {cc.resname} Failed to pass Meeko check. Error: {e}"
+            logging.error(err)
+            raise ChemTempCreationError(err)
+            
+        logger.info(f"*** finish making {cc.resname} ***")
+    return cc
+
+
+# Example
+def main(): 
+
+    # """Download components.cif"""
+    # import subprocess, sys
+    # result = subprocess.run(["curl", "https://files.wwpdb.org/pub/pdb/data/monomers/components.cif"], capture_output=True, text=True)
+    # if result.returncode != 0:
+    #    print(f"Unable to download components.cif from files.wwpdb.org")
+    #    sys.exit(2)
+
+    """Download components.cif"""
+    import urllib.request
+
+    url = "https://files.wwpdb.org/pub/pdb/data/monomers/components.cif"
+    source_cif = file_path = "components.cif"
+
+    try:
+        urllib.request.urlretrieve(url, file_path)
+        logging.info(f"File downloaded successfully: {file_path}")
+    except Exception as e:
+        logging.error(f"Failed to download file. Error: {e}")
+
+    """Make chemical templates"""
+    basenames = ['A', 'U', 'C', 'G', 'DA', 'DT', 'DC', 'DG']
+    NA_ccs = []
+
+    acidic_proton_loc_canonical = {
+        # any carboxylic acid, sulfuric/sulfonic acid/ester, phosphoric/phosphinic acid/ester
+        '[H][O]['+atom+'](=O)': 0 for atom in ('CX3', 'SX4', 'SX3', 'PX4', 'PX3')
+    } | {
+        # any thio carboxylic/sulfuric acid
+        '[H][O]['+atom+'](=S)': 0 for atom in ('CX3', 'SX4')
+    } | {
+        '[H][SX2][a]': 0, # thiophenol
+    } 
+    embed_allowed_smarts = "[O][PX4](=O)([O])[OX2][CX4][CX4]1[OX2][CX4][CX4][CX4]1[OX2][H]"
+    cap_allowed_smarts = "[OX2][CX4][CX4]1[OX2][CX4][CX4][CX4]1[OX2]"
+    pattern_to_label_mapping_standard = {'[PX4h1]': '5-prime', '[O+0X2h1]': '3-prime'}
+
+    variant_recipe = {
+        # embedded nucleotide 
+        "":  ({"[O][PX4](=O)([O])[OX2][CX4]": {0} ,"[CX4]1[OX2][CX4][CX4][CX4]1[OX2][H]": {6}}, None), 
+        # 3' end nucleotide 
+        "3": ({"[O][PX4](=O)([O])[OX2][CX4]": {0}}, None), 
+        # 5' end nucleotide (extra phosphate than canonical X5)
+        "5p": ({"[CX4]1[OX2][CX4][CX4][CX4]1[OX2][H]": {6}}, None), 
+        # 5' end nucleoside (canonical X5 in Amber)
+        "5": ({"[O][PX4](=O)([O])[OX2][CX4]": {0,1,2,3}, "[CX4]1[OX2][CX4][CX4][CX4]1[OX2][H]": {6}}, {"[OX2][CX4][CX4]1[OX2][CX4][CX4][CX4]1[OX2]": {0}}), 
+    }
+
+    for basename in basenames:
+        for suffix in variant_recipe:
+            cc = ChemicalComponent.from_cif(source_cif, basename)
+            cc.resname += suffix
+            print(f"*** using CCD residue {basename} to construct {cc.resname} ***")
+
+            cc = (
+                cc
+                .make_canonical(acidic_proton_loc = acidic_proton_loc_canonical)
+                .make_embedded(allowed_smarts = embed_allowed_smarts, 
+                               leaving_smarts_loc = variant_recipe[suffix][0])
+                .make_capped(allowed_smarts = cap_allowed_smarts, 
+                             capping_smarts_loc = variant_recipe[suffix][1]) 
+                .make_pretty_smiles()
+                .make_link_labels_from_patterns(pattern_to_label_mapping = pattern_to_label_mapping_standard)
+                )
+
+            print(f"*** finish making {cc.resname} ***")
+            NA_ccs.append(cc)
+
+    """Export to one json file"""
+    export_chem_templates_to_json(NA_ccs, 'standard_NA_templates.json')
+
+
+if __name__ == '__main__':
+    main()
+
+
+# XXX read from prepared? enumerate in stepwise? all protonation state variants, alter charge and update smiles/idx
\ No newline at end of file
diff --git a/meeko/linked_rdkit_chorizo.py b/meeko/linked_rdkit_chorizo.py
index f6dc2a94..baba2860 100644
--- a/meeko/linked_rdkit_chorizo.py
+++ b/meeko/linked_rdkit_chorizo.py
@@ -21,6 +21,8 @@
 from .utils.rdkitutils import _aux_altloc_mol_build
 from .utils.pdbutils import PDBAtomInfo
 
+from .chemtempgen import *
+
 import numpy as np
 
 periodic_table = Chem.GetPeriodicTable()
@@ -661,7 +663,6 @@ def __init__(
             raise ValueError(msg)
         self.residue_chem_templates = residue_chem_templates
         residue_templates = residue_chem_templates.residue_templates
-        print(residue_templates)
         padders = residue_chem_templates.padders
         ambiguous = residue_chem_templates.ambiguous
 
@@ -693,29 +694,23 @@ def __init__(
         unknown_res_from_input = set(res_id for res_id in raw_input_mols if raw_input_mols[res_id][1] not in residue_templates.keys() | ambiguous.keys())
         if len(unknown_res_from_input) > 0:
             err += f"Input residue names {set(raw_input_mols[res_id][1] for res_id in unknown_res_from_input)} not in residue_templates" + os_linesep
-        if set_template is not None:
+        unknown_res_from_assign = set()
+        if set_template:
             unknown_res_from_assign = set(res_id for res_id in set_template if set_template[res_id] not in residue_templates.keys() | ambiguous.keys())
             if len(unknown_res_from_input) > 0:
                 err += f"Assigned residue names {set(set_template[res_id] for res_id in unknown_res_from_assign)} not in residue_templates" + os_linesep
         if err: 
             print(err)
-            import sys, importlib.util
-            script_path = '/Users/amyhe/Desktop/0_forks/gemile/chemtempgen.py'
-            # Load the module dynamically
-            spec = importlib.util.spec_from_file_location("chemtempgen", script_path)
-            chemtempgen = importlib.util.module_from_spec(spec)
-            sys.modules["chemtempgen"] = chemtempgen
-            spec.loader.exec_module(chemtempgen)
 
             unknown_res =  set(raw_input_mols[res_id][1] for res_id in unknown_res_from_input) | set(set_template[res_id] for res_id in unknown_res_from_assign)
             for resname in unknown_res: 
-                cc = chemtempgen.make_noncovalent(resname)
-                guess_template_dict = json.loads(chemtempgen.export_chem_templates_to_json([cc]))['residue_templates'][resname]
+                cc = build_noncovalent_CC(resname)
+                fetch_template_dict = json.loads(export_chem_templates_to_json([cc]))['residue_templates'][resname]
                 residue_templates.update({resname: 
                                           ResidueTemplate(
-                                              smiles = guess_template_dict['smiles'],
-                                              atom_names = guess_template_dict['atom_name'],
-                                              link_labels = guess_template_dict['link_labels'])})
+                                              smiles = fetch_template_dict['smiles'],
+                                              atom_names = fetch_template_dict['atom_name'],
+                                              link_labels = fetch_template_dict['link_labels'])})
             # raise ValueError(f"{err}")
 
         self.residues, self.log = self._get_residues(
@@ -2318,8 +2313,6 @@ def check(self, mol, link_labels, atom_names):
         #    raise ValueError(f"each array in data must have the same length, but got {data_lengths=}")
         # data_length = data_lengths.pop()
         if len(atom_names) != mol.GetNumAtoms():
-            print(Chem.MolToSmiles(mol, allHsExplicit = True))
-            print(atom_names)
             raise ValueError(f"{len(atom_names)=} differs from {mol.GetNumAtoms()=}")
         return
 

From c1678a700173488806354fcb633c6936fadbbe1a Mon Sep 17 00:00:00 2001
From: Amy He <ayhe1768@gmail.com>
Date: Thu, 17 Oct 2024 15:55:52 -0700
Subject: [PATCH 078/166] format print

---
 meeko/chemtempgen.py | 2 ++
 1 file changed, 2 insertions(+)

diff --git a/meeko/chemtempgen.py b/meeko/chemtempgen.py
index f8385de5..0f7ec69b 100644
--- a/meeko/chemtempgen.py
+++ b/meeko/chemtempgen.py
@@ -513,7 +513,9 @@ def export_chem_templates_to_json(cc_list: list[ChemicalComponent], json_fname:
             f.write(json_str)
         print(f"{json_fname} <-- Json File for New Chemical Templates")
     else:
+        print(str.center(60, " New Template Built "))
         print(json_str)
+        print("*"*60)
         return json_str
 
 

From 0a5d8c6a50adc0b782dcb7f9ae36979a4100cf67 Mon Sep 17 00:00:00 2001
From: Amy He <ayhe1768@gmail.com>
Date: Thu, 17 Oct 2024 15:57:05 -0700
Subject: [PATCH 079/166] fix format print

---
 meeko/chemtempgen.py | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/meeko/chemtempgen.py b/meeko/chemtempgen.py
index 0f7ec69b..2dd4512c 100644
--- a/meeko/chemtempgen.py
+++ b/meeko/chemtempgen.py
@@ -513,7 +513,7 @@ def export_chem_templates_to_json(cc_list: list[ChemicalComponent], json_fname:
             f.write(json_str)
         print(f"{json_fname} <-- Json File for New Chemical Templates")
     else:
-        print(str.center(60, " New Template Built "))
+        print(" New Template Built ".center(60, "*"))
         print(json_str)
         print("*"*60)
         return json_str

From 25db00543d2c7c79611635c35ea00387fa89eab9 Mon Sep 17 00:00:00 2001
From: diogom <diogom@scripps.edu>
Date: Fri, 18 Oct 2024 00:46:41 -0700
Subject: [PATCH 080/166] exporting full receptor with docked flexres positions

---
 meeko/linked_rdkit_chorizo.py  | 202 ++++++++++++++++++++++++++++-----
 meeko/molecule_pdbqt.py        |   5 +
 meeko/rdkit_mol_create.py      |  11 +-
 meeko/utils/utils.py           |   3 -
 scripts/mk_prepare_receptor.py |   2 +-
 5 files changed, 187 insertions(+), 36 deletions(-)

diff --git a/meeko/linked_rdkit_chorizo.py b/meeko/linked_rdkit_chorizo.py
index c7914cac..b2289005 100644
--- a/meeko/linked_rdkit_chorizo.py
+++ b/meeko/linked_rdkit_chorizo.py
@@ -10,6 +10,7 @@
 from rdkit.Chem import rdFMCS
 from rdkit.Chem import rdChemReactions
 from rdkit.Chem import rdMolInterchange
+from rdkit.Geometry import Point3D
 
 from .molsetup import RDKitMoleculeSetup
 from .molsetup import MoleculeSetupEncoder
@@ -20,6 +21,7 @@
 from .utils.rdkitutils import build_one_rdkit_mol_per_altloc
 from .utils.rdkitutils import _aux_altloc_mol_build
 from .utils.pdbutils import PDBAtomInfo
+from .utils.utils import parse_begin_res
 
 import numpy as np
 
@@ -343,6 +345,88 @@ def rectify_charges(q_list, net_charge=None, decimals=3) -> list[float]:
     return charges_dec
 
 
+def get_updated_positions(residue, new_positions: dict): 
+    """
+    Returns full set of positions for the rdkit_mol in residue given a partial
+    set of new_positions. Hydrogens not specified in new_positions will
+    have their position reset by RDKit if they satisfy either A or B defined
+    below. n1 is the heavy atom that the hydrogen is bonded two, and n2 is
+    another heavy atom bonded to n1 (i.e., two bonds aways from the hydrogen).
+    Conditions:
+      (A) max one n2 absent from new_positions, and n1 is in new_positions
+      (B) max one n2 absent from new_positions, and at least one n2 in
+      new_positions, and if there is an n2 absent from new_positions the bond
+      between n1 and that n2 must be rotatable
+
+    Parameters
+    ----------
+    residue: ChorizoResidue
+        molecule associated with new positions
+    new_positions: dict (int -> (float, float, float))
+                         |      |
+                atom_index      |
+                                new_position
+    """
+
+    h_to_update = []
+    mol = Chem.Mol(residue.rdkit_mol)  # avoids side effects
+    conformer = mol.GetConformer()
+    idx_to_molsetup = {j: i for i, j in residue.molsetup_mapidx.items()}
+    for atom in mol.GetAtoms():
+        index = atom.GetIdx()
+        if atom.GetAtomicNum() != 1 or index in new_positions:
+            continue
+        to_update = False
+        # n1 -> neighbor
+        # n2 -> neighbor of neighbor
+        if len(atom.GetNeighbors()) != 1:
+            raise RuntimeError("expected hydrogen to have exactly 1 neighbor")
+        n1 = atom.GetNeighbors()[0]
+        num_n2_in_new = 0
+        num_n2_not_in_new = 0
+        num_n2_not_in_new_rotatable = 0
+        n1_in_new = False
+        if n1.GetIdx() in new_positions:
+            n1_in_new = True
+        for n2 in n1.GetNeighbors():
+            # n2 could be same as atom (circle back) but
+            # continue statements above and below prevent trouble
+            if n2.GetAtomicNum() == 1:
+                continue
+            num_n2_in_new += n2.GetIdx() in new_positions
+            if not n2.GetIdx() in new_positions:
+                num_n2_not_in_new += 1
+                i = idx_to_molsetup[n1.GetIdx()]
+                j = idx_to_molsetup[n2.GetIdx()]
+                bond_id = (min(i, j), max(i, j))
+                rotatable = residue.molsetup.bond_info[bond_id].rotatable
+                num_n2_not_in_new_rotatable += rotatable
+        # link atom same as not_in_new (even if blunt, to keep simple)
+        if n1.GetTotalNumHs(includeNeighbors=False):
+            num_n2_not_in_new += 1
+
+        # condition A
+        if n1_in_new and num_n2_not_in_new <= 1:
+            h_to_update.append(index)
+        # condition B
+        elif (
+            num_n2_in_new > 0 and
+            num_n2_not_in_new <= 1 and
+            num_n2_not_in_new_rotatable == num_n2_not_in_new
+        ):
+            h_to_update.append(index)
+    for atom in mol.GetAtoms():
+        index = atom.GetIdx()
+        if index in new_positions:
+            x, y, z = new_positions[index]
+            p = Point3D(float(x), float(y), float(z))
+            conformer.SetAtomPosition(index, p)
+    if h_to_update:
+        update_H_positions(mol, h_to_update)
+    return mol.GetConformer().GetPositions()
+
+
+
 def update_H_positions(mol: Chem.Mol, indices_to_update: list[int]) -> None:
     """
     Re-calculates the position of some hydrogens already existing in the mol. Does not guarantee that chirality can be
@@ -1612,45 +1696,48 @@ def _prody_to_residue_mols(
                                           missed_altloc, needed_altloc)
         return raw_input_mols
 
-    def to_pdb(self, use_modified_coords: bool = False, modified_coords_index: int = 0):
-        """
 
+
+    def to_pdb(self, new_positions: Optional[dict]=None):
+        """
         Parameters
         ----------
-        use_modified_coords: bool
-        modified_coords_index: int
-
+        new_positions: dict (str -> dict (int -> (float, float, float)))
+                             |            |      |
+                    residue_id            |      |
+                                 atom_index      |
+                                                 new_position
         Returns
-        -------
+        _______
+        pdb_string: str
+        """    
+
+        if new_positions is None:
+            new_positions = {}
+        valid_residues = self.get_valid_residues()
+
+        # check that residue IDs passed in new_positions are valid
+        unknown_res_ids = set()
+        for res_id in new_positions:
+            if res_id not in valid_residues:
+                unknown_res_ids.add(res_id)
+        if unknown_res_ids:
+            msg = f"Residue IDs not in valid residues: {unknown_res_ids}"
+            raise ValueError(msg)
 
-        """
         pdbout = ""
         atom_count = 0
         pdb_line = "{:6s}{:5d} {:^4s} {:3s} {:1s}{:4d}{:1s}   {:8.3f}{:8.3f}{:8.3f}                       {:2s} "
         pdb_line += pathlib.os.linesep
         for res_id in self.get_valid_residues():
-            resmol = self.residues[res_id].rdkit_mol
-            if use_modified_coords and self.residues[res_id].molsetup is not None:
-                molsetup = self.residues[res_id].molsetup
-                if len(molsetup.modified_atom_positions) <= modified_coords_index:
-                    errmsg = "Requesting pose %d but only got %d in molsetup of %s" % (
-                        modified_coords_index,
-                        len(molsetup.modified_atom_positions),
-                        res_id,
-                    )
-                    raise RuntimeError(errmsg)
-                p = molsetup.modified_atom_positions[modified_coords_index]
-                modified_positions = molsetup.get_conformer_with_modified_positions(
-                    p
-                ).GetPositions()
-                positions = {}
-                for i, j in self.residues[res_id].molsetup_mapidx.items():
-                    positions[j] = modified_positions[i]
+            rdkit_mol = self.residues[res_id].rdkit_mol
+            if res_id in new_positions:
+                positions = get_updated_positions(
+                    self.residues[res_id],
+                    new_positions[res_id],
+                )
             else:
-                positions = {
-                    i: xyz
-                    for (i, xyz) in enumerate(resmol.GetConformer().GetPositions())
-                }
+                positions = rdkit_mol.GetConformer().GetPositions()
 
             chain, resnum = res_id.split(":")
             if resnum[-1].isalpha():
@@ -1660,10 +1747,10 @@ def to_pdb(self, use_modified_coords: bool = False, modified_coords_index: int =
                 icode = ""
             resnum = int(resnum)
 
-            for i, atom in enumerate(resmol.GetAtoms()):
+            for i, atom in enumerate(rdkit_mol.GetAtoms()):
                 atom_count += 1
                 props = atom.GetPropsAsDict()
-                atom_name = props.get("atom_name", "")
+                atom_name = self.residues[res_id].atom_names[i]
                 x, y, z = positions[i]
                 element = mini_periodic_table[atom.GetAtomicNum()]
                 pdbout += pdb_line.format(
@@ -2625,7 +2712,8 @@ def residue_template_json_decoder(obj: dict):
 
     # Converting ResidueTemplate init values that need conversion
     deserialized_mol = rdkit_mol_from_json(obj["mol"])
-    mol_smiles = rdkit.Chem.MolToSmiles(deserialized_mol)
+    # do not write canonical smiles to preserve original atom order
+    mol_smiles = rdkit.Chem.MolToSmiles(deserialized_mol, canonical=False)
     link_labels = {int(k): v for k, v in obj["link_labels"].items()}
 
     # Construct a ResidueTemplate object
@@ -2755,3 +2843,55 @@ def linked_rdkit_chorizo_json_decoder(obj: dict):
 
     return linked_rdkit_chorizo
 # endregion
+
+def sidechain_to_mol(pdbqt_atoms):
+    tiny_periodic_table = {"C": 6, "N": 7, "O": 8, "H": 1, "S": 16, "P": 15} 
+    positions = []
+    mol = Chem.EditableMol(Chem.Mol())
+    mol.BeginBatchEdit()
+    for row in pdbqt_atoms:
+        atomic_nr = tiny_periodic_table[row["name"][0]]  # using PDB name
+        atom = Chem.Atom(atomic_nr)
+        mol.AddAtom(atom)
+        x, y, z = row["xyz"]
+        positions.append(Point3D(float(x), float(y), float(z)))
+    mol.CommitBatchEdit()
+    mol = mol.GetMol()
+    conformer = Chem.Conformer(mol.GetNumAtoms())
+    for index, position in enumerate(positions):
+        conformer.SetAtomPosition(index, position)
+    mol.AddConformer(conformer, assignId=True)
+    from rdkit.Chem import rdDetermineBonds
+    rdDetermineBonds.DetermineConnectivity(mol)
+    Chem.SanitizeMol(mol)
+    return mol
+
+def export_full(chorizo, pdbqt_mol):
+    flexres_id = pdbqt_mol._pose_data["mol_index_to_flexible_residue"]
+    new_positions = {}
+    for mol_idx, atom_idxs in pdbqt_mol._atom_annotations["mol_index"].items():
+        if flexres_id[mol_idx] is not None:
+            res_id = parse_begin_res(flexres_id[mol_idx])
+            atoms = pdbqt_mol.atoms(atom_idxs)
+            mol = sidechain_to_mol(atoms)
+
+            key = chorizo.residues[res_id].residue_template_key
+            molsetup_to_template = chorizo.residues[res_id].molsetup_mapidx
+            template_to_molsetup = {j: i for i, j in molsetup_to_template.items()}
+            template = chorizo.residue_chem_templates.residue_templates[key]
+            result = template.match(mol)
+            template_to_mol = result[-1]
+            rdkitmol_to_pdbqt = {}
+            sidechain_positions = {}
+            molsetup_matched = set()
+            for i, j in template_to_mol.items():
+                molsetup_matched.add(template_to_molsetup[i])
+                rdkitmol_to_pdbqt[i] = j
+                sidechain_positions[i] = tuple(atoms["xyz"][j])
+            if len(molsetup_matched) != len(template_to_mol):
+                raise RuntimeError
+            is_flexres_atom = chorizo.residues[res_id].is_flexres_atom 
+            hit_count = sum([is_flexres_atom[i] for i in molsetup_matched])
+            new_positions[res_id] = sidechain_positions
+    pdbstr = chorizo.to_pdb(new_positions)
+    return pdbstr
diff --git a/meeko/molecule_pdbqt.py b/meeko/molecule_pdbqt.py
index 5c909bf7..e73e53db 100644
--- a/meeko/molecule_pdbqt.py
+++ b/meeko/molecule_pdbqt.py
@@ -70,6 +70,7 @@ def _read_ligand_pdbqt_file(pdbqt_string, poses_to_read=-1, energy_range=-1, is_
         'rank_in_cluster': [],
         'cluster_leads_sorted': [],
         'cluster_size': [],
+        "mol_index_to_flexible_residue": {},
     }
 
     tmp_cluster_data = {}
@@ -78,6 +79,7 @@ def _read_ligand_pdbqt_file(pdbqt_string, poses_to_read=-1, energy_range=-1, is_
     buffer_smiles = None
     buffer_smiles_index_map = []
     buffer_smiles_h_parent = []
+    buffer_flexres_id = None
 
     lines = pdbqt_string.split('\n')
     if len(lines[-1]) == 0: lines = lines[:-1]
@@ -169,10 +171,12 @@ def _read_ligand_pdbqt_file(pdbqt_string, poses_to_read=-1, energy_range=-1, is_
             pose_data["smiles"][mol_index] = buffer_smiles
             pose_data["smiles_index_map"][mol_index] = buffer_smiles_index_map
             pose_data["smiles_h_parent"][mol_index] = buffer_smiles_h_parent
+            pose_data["mol_index_to_flexible_residue"][mol_index] = buffer_flexres_id
             buffer_index_map = {}
             buffer_smiles = None
             buffer_smiles_index_map = []
             buffer_smiles_h_parent = []
+            buffer_flexres_id = None
         elif line.startswith('REMARK INDEX MAP') and is_first_pose:
             integers = [int(integer) for integer in line.split()[3:]]
             if len(integers) % 2 == 1:
@@ -220,6 +224,7 @@ def _read_ligand_pdbqt_file(pdbqt_string, poses_to_read=-1, energy_range=-1, is_
             pose_data['internal_energies'].append(float(line[45:].split()[0]))
         elif line.startswith('BEGIN_RES'):
             location = 'flexible_residue'
+            buffer_flexres_id = " ".join(line.strip().split()[1:])
         elif line.startswith('END_RES'):
             # We never know if there is a molecule just after the flexible residue...
             location = 'ligand'
diff --git a/meeko/rdkit_mol_create.py b/meeko/rdkit_mol_create.py
index b7a606f9..999fe37f 100644
--- a/meeko/rdkit_mol_create.py
+++ b/meeko/rdkit_mol_create.py
@@ -180,11 +180,20 @@ class RDKitMolCreate:
     }
 
     @classmethod
-    def from_pdbqt_mol(cls, pdbqt_mol, only_cluster_leads=False): # TODO add pseudo-water (W atoms, variable nr each pose)
+    def from_pdbqt_mol(
+        cls,
+        pdbqt_mol,
+        only_cluster_leads=False,
+        skip_flexres=False,
+    ):
+        # todo: add pseudo-water (W atoms, variable nr each pose)
         if only_cluster_leads and len(pdbqt_mol._pose_data["cluster_leads_sorted"]) == 0:
             raise RuntimeError("no cluster_leads in pdbqt_mol but only_cluster_leads=True")
         mol_list = []
         for mol_index in pdbqt_mol._atom_annotations["mol_index"]:
+            flexres_id = pdbqt_mol._pose_data["mol_index_to_flexible_residue"][mol_index]
+            if flexres_id is not None and skip_flexres:
+                continue
             smiles = pdbqt_mol._pose_data['smiles'][mol_index]
             index_map = pdbqt_mol._pose_data['smiles_index_map'][mol_index]
             h_parent = pdbqt_mol._pose_data['smiles_h_parent'][mol_index]
diff --git a/meeko/utils/utils.py b/meeko/utils/utils.py
index 32daab0d..bb05b575 100644
--- a/meeko/utils/utils.py
+++ b/meeko/utils/utils.py
@@ -409,8 +409,6 @@ def parse_begin_res(string):
     is_chain_or_resname = False
     got_space = False
     for i, char in enumerate(reversed(string)):
-        #if not resname_chain and char.isspace():
-        #    continue
 
         if char.isspace():
             got_space = True
@@ -433,7 +431,6 @@ def parse_begin_res(string):
             resname_chain = char + resname_chain
 
     fields = resname_chain.split()
-    print(fields)
     if len(fields) == 1 and len(fields[0]) <= 2:
         chain = fields[0]
     elif len(fields) == 1 and len(fields[0]) > 2:
diff --git a/scripts/mk_prepare_receptor.py b/scripts/mk_prepare_receptor.py
index 59dd3bd0..2da28141 100755
--- a/scripts/mk_prepare_receptor.py
+++ b/scripts/mk_prepare_receptor.py
@@ -667,7 +667,7 @@ def get_args():
 
 if args.write_pdb is not None:
     fn = args.write_pdb[0]
-    with open(fn, "W") as f:
+    with open(fn, "w") as f:
         f.write(chorizo.to_pdb())
     written_files_log["filename"].append(fn)
     written_files_log["description"].append("receptor")

From 8a3ac1360720fbe525ac9377ffde2af76a8474c7 Mon Sep 17 00:00:00 2001
From: diogom <diogom@scripps.edu>
Date: Fri, 18 Oct 2024 12:36:51 -0700
Subject: [PATCH 081/166] mk_export full receptor with docked flesres positions

---
 meeko/__init__.py             |   1 +
 meeko/linked_rdkit_chorizo.py |  63 +++---------------
 meeko/rdkit_mol_create.py     |   4 +-
 scripts/mk_export.py          | 118 ++++++++++++++++++++++++----------
 4 files changed, 96 insertions(+), 90 deletions(-)

diff --git a/meeko/__init__.py b/meeko/__init__.py
index 21cd866a..de840a7a 100644
--- a/meeko/__init__.py
+++ b/meeko/__init__.py
@@ -40,6 +40,7 @@
 from .linked_rdkit_chorizo import ChorizoCreationError
 from .molecule_pdbqt import PDBQTMolecule
 from .rdkit_mol_create import RDKitMolCreate
+from .export_flexres import export_pdb_updated_flexres
 from .reactive import reactive_typer
 from .reactive import get_reactive_config
 from .writer import PDBQTWriterLegacy
diff --git a/meeko/linked_rdkit_chorizo.py b/meeko/linked_rdkit_chorizo.py
index b2289005..a470a685 100644
--- a/meeko/linked_rdkit_chorizo.py
+++ b/meeko/linked_rdkit_chorizo.py
@@ -21,7 +21,6 @@
 from .utils.rdkitutils import build_one_rdkit_mol_per_altloc
 from .utils.rdkitutils import _aux_altloc_mol_build
 from .utils.pdbutils import PDBAtomInfo
-from .utils.utils import parse_begin_res
 
 import numpy as np
 
@@ -974,6 +973,16 @@ def from_prody(
 
         return chorizo
 
+    @classmethod
+    def from_json(cls, json_string):
+        return json.loads(
+            json_string,
+            object_hook=linked_rdkit_chorizo_json_decoder,
+        )
+
+    def to_json(self):
+        return json.dumps(self, cls=LinkedRDKitChorizoEncoder)
+
     def parameterize(self, mk_prep):
         """
 
@@ -2843,55 +2852,3 @@ def linked_rdkit_chorizo_json_decoder(obj: dict):
 
     return linked_rdkit_chorizo
 # endregion
-
-def sidechain_to_mol(pdbqt_atoms):
-    tiny_periodic_table = {"C": 6, "N": 7, "O": 8, "H": 1, "S": 16, "P": 15} 
-    positions = []
-    mol = Chem.EditableMol(Chem.Mol())
-    mol.BeginBatchEdit()
-    for row in pdbqt_atoms:
-        atomic_nr = tiny_periodic_table[row["name"][0]]  # using PDB name
-        atom = Chem.Atom(atomic_nr)
-        mol.AddAtom(atom)
-        x, y, z = row["xyz"]
-        positions.append(Point3D(float(x), float(y), float(z)))
-    mol.CommitBatchEdit()
-    mol = mol.GetMol()
-    conformer = Chem.Conformer(mol.GetNumAtoms())
-    for index, position in enumerate(positions):
-        conformer.SetAtomPosition(index, position)
-    mol.AddConformer(conformer, assignId=True)
-    from rdkit.Chem import rdDetermineBonds
-    rdDetermineBonds.DetermineConnectivity(mol)
-    Chem.SanitizeMol(mol)
-    return mol
-
-def export_full(chorizo, pdbqt_mol):
-    flexres_id = pdbqt_mol._pose_data["mol_index_to_flexible_residue"]
-    new_positions = {}
-    for mol_idx, atom_idxs in pdbqt_mol._atom_annotations["mol_index"].items():
-        if flexres_id[mol_idx] is not None:
-            res_id = parse_begin_res(flexres_id[mol_idx])
-            atoms = pdbqt_mol.atoms(atom_idxs)
-            mol = sidechain_to_mol(atoms)
-
-            key = chorizo.residues[res_id].residue_template_key
-            molsetup_to_template = chorizo.residues[res_id].molsetup_mapidx
-            template_to_molsetup = {j: i for i, j in molsetup_to_template.items()}
-            template = chorizo.residue_chem_templates.residue_templates[key]
-            result = template.match(mol)
-            template_to_mol = result[-1]
-            rdkitmol_to_pdbqt = {}
-            sidechain_positions = {}
-            molsetup_matched = set()
-            for i, j in template_to_mol.items():
-                molsetup_matched.add(template_to_molsetup[i])
-                rdkitmol_to_pdbqt[i] = j
-                sidechain_positions[i] = tuple(atoms["xyz"][j])
-            if len(molsetup_matched) != len(template_to_mol):
-                raise RuntimeError
-            is_flexres_atom = chorizo.residues[res_id].is_flexres_atom 
-            hit_count = sum([is_flexres_atom[i] for i in molsetup_matched])
-            new_positions[res_id] = sidechain_positions
-    pdbstr = chorizo.to_pdb(new_positions)
-    return pdbstr
diff --git a/meeko/rdkit_mol_create.py b/meeko/rdkit_mol_create.py
index 999fe37f..21a85938 100644
--- a/meeko/rdkit_mol_create.py
+++ b/meeko/rdkit_mol_create.py
@@ -453,10 +453,10 @@ def add_sandbox_coordinates(cls, dlgstring, rdmol, index_map, h_parent, groupnam
         return rdmol, energy
 
     @staticmethod
-    def write_sd_string(pdbqt_mol, only_cluster_leads=False):
+    def write_sd_string(pdbqt_mol, only_cluster_leads=False, skip_flexres=False):
         sio = io.StringIO()
         f = Chem.SDWriter(sio)
-        mol_list = RDKitMolCreate.from_pdbqt_mol(pdbqt_mol, only_cluster_leads)
+        mol_list = RDKitMolCreate.from_pdbqt_mol(pdbqt_mol, only_cluster_leads, skip_flexres)
         failures = [i for i, mol in enumerate(mol_list) if mol is None]
         combined_mol = RDKitMolCreate.combine_rdkit_mols(mol_list)
         if combined_mol is None:
diff --git a/scripts/mk_export.py b/scripts/mk_export.py
index afb8f584..ae9b5beb 100755
--- a/scripts/mk_export.py
+++ b/scripts/mk_export.py
@@ -5,7 +5,7 @@
 
 import argparse
 import gzip
-import os
+import pathlib
 import sys
 import warnings
 
@@ -13,41 +13,66 @@
 
 from meeko import PDBQTMolecule
 from meeko import RDKitMolCreate
+from meeko import LinkedRDKitChorizo
+from meeko import export_pdb_updated_flexres
 
 
 def cmd_lineparser():
-    parser = argparse.ArgumentParser(description='Export docking results to SDF format')
+    parser = argparse.ArgumentParser(
+        description='Export docked ligand to SDF, and receptor to PDB',
+    )
     parser.add_argument(dest='docking_results_filename', nargs = "+",
-                        action='store', help='Docking output file, either a PDBQT \
-                        file from Vina or a DLG file from AD-GPU.')
-    parser.add_argument('-o', '--output_filename', dest='output_filename',
-                        action='store', help='Output molecule filename. If not specified, suffix _docked is \
-                        added to the filename based on the input molecule file, and using the same \
-                        molecule file format')
-    parser.add_argument('-s', '--suffix', dest='suffix_name', default='_docked',
-                        action='store', help='Add suffix to output filename if -o/--output_filename \
-                        not specified. WARNING: If specified as empty string (\'\'), this will overwrite \
-                        the original molecule input file (default: _docked).')
-    parser.add_argument('-c', '--only_cluster_leads', action='store_true',
-                        help='Keep top pose from each AutoDock-GPU cluster, sorted by \
-                        predicted free energy of cluster lead.')
+                        help='Docking output file(s), either PDBQT \
+                        file from Vina or DLG file from AD-GPU.')
+    parser.add_argument('-s', '--write_sdf', metavar='filename',
+                        help="defaults to input filename with suffix from --sufix")
+    parser.add_argument(
+        '-p',
+        '--write_pdb',
+        metavar='filename',
+        help="defaults to input filename with suffix from --suffix",
+    )
+    parser.add_argument("--suffix", default="_docked",
+                        help="suffix for output filesnames that are not explicitly set")
+    parser.add_argument('-j', '--read_json', metavar='filename',
+                        help="receptor written by mk_prepare_receptor -j/--write_json")
+    parser.add_argument('--all_dlg_poses', action='store_true',
+                        help="write all AutoDock-GPU poses, not just cluster leads.")
     parser.add_argument('-', '--',  dest='redirect_stdout', action='store_true',
-                        help='do not write file, redirect output to STDOUT. Arguments -o/--output_filename \
-                        is ignored.')
+                        help="do not write SDF file, just print it to STDOUT")
     return parser.parse_args()
 
 args = cmd_lineparser()
 
 docking_results_filenames = args.docking_results_filename
-output_filename = args.output_filename
-suffix_name = args.suffix_name
-only_cluster_leads = args.only_cluster_leads
+write_sdf = args.write_sdf
+write_pdb = args.write_pdb
+read_json = args.read_json
+suffix = args.suffix
+all_dlg_poses = args.all_dlg_poses
 redirect_stdout = args.redirect_stdout
 
-if output_filename is not None and len(docking_results_filenames) > 1:
-    print("Option -o/--output_filename incompatible with multiple input files", file=sys.stderr)
-    sys.exit()
- 
+if (
+    (write_sdf is not None or write_pdb is not None) and
+    len(docking_results_filenames) > 1
+):
+    msg = "With multiple input files, the output filenames are based on the"
+    msg += "input filename. The suffix can be controlled with option --suffix."
+    msg += "--write options are incompatible with multiple input files"
+    print("F--write options incompatible with multiple input files", file=sys.stderr)
+    sys.exit(2)
+
+if redirect_stdout and len(docking_results_filenames) > 1:
+    print("option -/-- incompatible with multiple input files", file=sys.stderr)
+    sys.exit(2)
+
+if read_json is not None:
+    with open(read_json) as f:
+        json_string = f.read()
+    polymer = LinkedRDKitChorizo.from_json(json_string)
+else:
+    polymer = None
+
 for filename in docking_results_filenames:
     is_dlg = filename.endswith('.dlg') or filename.endswith(".dlg.gz")
     if filename.endswith(".gz"):
@@ -56,12 +81,19 @@ def cmd_lineparser():
     else:
         with open(filename) as f:
             string = f.read()
-    pdbqt_mol = PDBQTMolecule(string, name = os.path.splitext(os.path.basename(filename))[0], 
-                              is_dlg=is_dlg, skip_typing=True)
-
-    output_string, failures = RDKitMolCreate.write_sd_string(
-            pdbqt_mol, only_cluster_leads=only_cluster_leads)
-    output_format = 'sdf'
+    mol_name = pathlib.Path(filename).with_suffix("").name
+    pdbqt_mol = PDBQTMolecule(
+        string,
+        name=mol_name,
+        is_dlg=is_dlg,
+        skip_typing=True,
+    )
+    only_cluster_leads = is_dlg and not all_dlg_poses
+    sdf_string, failures = RDKitMolCreate.write_sd_string(
+            pdbqt_mol,
+            only_cluster_leads=only_cluster_leads,
+            skip_flexres=read_json is not None,  # sidechains will go to pdb
+    )
     for i in failures:
         warnings.warn("molecule %d not converted to RDKit/SD File" % i)
     if len(failures) == len(pdbqt_mol._atom_annotations["mol_index"]):
@@ -71,10 +103,26 @@ def cmd_lineparser():
         msg += "require a REMARK SMILES line in the PDBQT, which is added automatically by meeko."
         raise RuntimeError(msg)
     if not redirect_stdout:
-        if output_filename is None:
-            fn = '%s%s.%s' % (os.path.splitext(filename)[0], suffix_name, output_format)
+        if write_sdf is None:
+            fn = pathlib.Path(filename).with_suffix("").name + f"{suffix}.sdf"
         else:
-            fn = output_filename
-        print(output_string, file=open(fn, 'w'), end="")
+            fn = write_sdf
+        with open(fn, "w") as f:
+            f.write(sdf_string)
     else:
-        print(output_string)
+        print(sdf_string)
+
+    # write receptor with updated flexres
+    if read_json is not None:
+        pdb_string = ""
+        for pose in pdbqt_mol:
+            model_nr = pose.pose_id + 1
+            pdb_string += "MODEL " + f"{model_nr:8}" + pathlib.os.linesep
+            pdb_string += export_pdb_updated_flexres(polymer, pose)
+            pdb_string += "ENDMDL" + pathlib.os.linesep
+        if write_pdb is None:
+            fn = pathlib.Path(filename).with_suffix("").name + f"{suffix}.pdb"
+        else:
+            fn = write_pdb
+        with open(fn, "w") as f:
+            f.write(pdb_string)

From 5fbb3e2e0d41de21a0dce28e506fac0cf3b08c5d Mon Sep 17 00:00:00 2001
From: Amy He <ayhe1768@gmail.com>
Date: Fri, 18 Oct 2024 14:24:19 -0700
Subject: [PATCH 082/166] small rewrite of meeko.chemtemgen

---
 meeko/chemtempgen.py | 106 +++++++++++++++++++++----------------------
 1 file changed, 52 insertions(+), 54 deletions(-)

diff --git a/meeko/chemtempgen.py b/meeko/chemtempgen.py
index 2dd4512c..d1804624 100644
--- a/meeko/chemtempgen.py
+++ b/meeko/chemtempgen.py
@@ -1,6 +1,6 @@
 import gemmi
 import json
-from pathlib import Path
+import pathlib
 import copy
 import urllib.request
 import time
@@ -16,35 +16,34 @@
 logging.basicConfig(stream=sys.stdout, level=logging.WARNING)
 
 
-# Constants from Meeko
+# Constants from linked_rdkit_chorizo
 covalent_radius = {  # from wikipedia
-    1: 0.31,
-    5: 0.84,
-    6: 0.76,
-    7: 0.71,
-    8: 0.66,
-    9: 0.57,
-    12: 0.00,  # hack to avoid bonds with metals
-    14: 1.11,
-    15: 1.07,
-    16: 1.05,
-    17: 1.02,
-    # 19: 2.03,
-    20: 0.00,
-    # 24: 1.39,
-    25: 0.00,  # hack to avoid bonds with metals
-    26: 0.00,
-    30: 0.00,  # hack to avoid bonds with metals
-    # 34: 1.20,
-    35: 1.20,
-    53: 1.39,
-}
+        1: 0.31,
+        5: 0.84,
+        6: 0.76,
+        7: 0.71,
+        8: 0.66,
+        9: 0.57,
+        12: 0.00,  # hack to avoid bonds with metals
+        14: 1.11,
+        15: 1.07,
+        16: 1.05,
+        17: 1.02,
+        # 19: 2.03,
+        20: 0.00,
+        # 24: 1.39,
+        25: 0.00,  # hack to avoid bonds with metals
+        26: 0.00,
+        30: 0.00,  # hack to avoid bonds with metals
+        # 34: 1.20,
+        35: 1.20,
+        53: 1.39,
+    }
 list_of_AD_elements_as_AtomicNum = list(covalent_radius.keys())
 
-
 # Utility Functions
 def mol_contains_unexpected_element(mol: Chem.Mol, allowed_elements: list[str] = list_of_AD_elements_as_AtomicNum) -> bool:
-    """Check if rwmol contains unexpected elements"""
+    """Check if mol contains unexpected elements"""
     for atom in mol.GetAtoms():
         if atom.GetAtomicNum() not in allowed_elements:
             return True
@@ -81,7 +80,7 @@ def get_atom_idx_by_patterns(mol: Chem.Mol, allowed_smarts: str,
         logging.warning(f"Molecule contain multiple copies of allowed_smarts: {allowed_smarts} -> no pattern-based action will be made. ")
         return set()
     if len(match_allowed) > 1 and allow_multiple:
-        match_allowed = set(item for sublist in match_allowed for item in sublist)
+        match_allowed = {item for sublist in match_allowed for item in sublist}
     else:
         match_allowed = match_allowed[0]
     
@@ -198,7 +197,9 @@ def deprotonate(mol, acidic_proton_loc: dict[str, int] = None) -> Chem.Mol:
         acidic_protons_idx.update(match[idx] for match in mol.GetSubstructMatches(qmol))
     
     if not acidic_protons_idx:
-        logging.warning(f"Molecule doesn't contain matching  with acidic_proton_loc {acidic_proton_loc} -> deprotonate returning original mol... ")
+        logging.warning(f"Molecule doesn't contain matching atoms for acidic_proton_loc:" + 
+                        f"{acidic_proton_loc}" + 
+                        f"-> deprotonate returning original mol... ")
         return mol
      
     rwmol = Chem.RWMol(mol)
@@ -213,7 +214,7 @@ def deprotonate(mol, acidic_proton_loc: dict[str, int] = None) -> Chem.Mol:
     return rwmol.GetMol()
 
 
-# Output Formatters
+# Attribute Formatters
 def get_smiles_with_atom_names(mol: Chem.Mol) -> tuple[str, list[str]]:
     """Generate SMILES with atom names in the order of SMILES output."""
     # allHsExplicit may expose the implicit Hs of linker atoms to Smiles; the implicit Hs don't have names
@@ -265,6 +266,11 @@ def is_chemical_element(symbol: str) -> bool:
     return smi
 
 
+class ChemTempCreationError(Exception):
+    def __init__(self, message):
+        super().__init__(message)
+
+
 class ChemicalComponent_LoggingControler:
 
     def __init__(self):
@@ -445,24 +451,23 @@ def make_link_labels_from_names(self, name_to_label_mapping = {}):
 
         return self
     
-    def meeko_check(self):
-        smiles, link_labels, atom_names = [self.smiles_exh, self.link_labels, self.atom_name]
+    def ResidueTemplate_check(self) -> bool:
+        # ResidueTemplate.check from linked_rdkit_chorizo
         ps = Chem.SmilesParserParams()
         ps.removeHs = False
-        mol = Chem.MolFromSmiles(smiles, ps)
-            
-        have_implicit_hs = set()
-        for atom in mol.GetAtoms():
-            if atom.GetNumImplicitHs() > 0:
-                have_implicit_hs.add(atom.GetIdx())
-        if set(int(atom_idx) for atom_idx in link_labels) != have_implicit_hs:
+        mol = Chem.MolFromSmiles(self.smiles_exh, ps)
+        have_implicit_hs = set(atom.GetIdx() for atom in mol.GetAtoms() if atom.GetTotalNumHs() > 0)
+
+        if self.link_labels and set(self.link_labels) != have_implicit_hs:
             raise ValueError(
-                f"expected any atom with non-real Hs ({have_implicit_hs}) to be in {link_labels=}"
+                f"expected any atom with non-real Hs ({have_implicit_hs}) to be in {self.link_labels=}"
             )
-        if atom_names is None:
+        
+        if not self.atom_name: 
             return
-        if len(atom_names) != mol.GetNumAtoms():
-            raise ValueError(f"{len(atom_names)=} differs from {mol.GetNumAtoms()=}")
+        
+        if len(self.atom_name) != mol.GetNumAtoms():
+            raise ValueError(f"{len(self.atom_name)=} differs from {mol.GetNumAtoms()=}")
         return
 
 
@@ -509,7 +514,7 @@ def export_chem_templates_to_json(cc_list: list[ChemicalComponent], json_fname:
             json_str = json_str.replace(json.dumps(data_to_export["residue_templates"][cc.resname]["link_labels"], indent = 4), single_line_link_labels)
 
     if json_fname:
-        with open(Path(json_fname), 'w') as f:
+        with open(pathlib.Path(json_fname), 'w') as f:
             f.write(json_str)
         print(f"{json_fname} <-- Json File for New Chemical Templates")
     else:
@@ -540,12 +545,7 @@ def fetch_from_pdb(resname: str, max_retries = 5, backoff_factor = 2) -> str:
                 logging.error(f"Max retries reached. Could not download CIF file for {resname}. Error: {e}")
                 return None
 
-
-class ChemTempCreationError(Exception):
-    def __init__(self, message):
-        super().__init__(message)
-
-# Constants
+# Constants for deprotonate
 acidic_proton_loc_canonical = {
         # any carboxylic acid, sulfuric/sulfonic acid/ester, phosphoric/phosphinic acid/ester
         '[H][O]['+atom+'](=O)': 0 for atom in ('CX3', 'SX4', 'SX3', 'PX4', 'PX3')
@@ -565,7 +565,7 @@ def build_noncovalent_CC(basename: str) -> ChemicalComponent:
             return None
 
         cc = copy.deepcopy(cc_from_cif)
-        logger.info(f"*** using CCD residue {basename} to construct {cc.resname} ***")
+        logger.info(f"*** using CCD ligand {basename} to construct residue {cc.resname} ***")
 
         cc = cc.make_canonical(acidic_proton_loc = acidic_proton_loc_canonical)
         if len(rdmolops.GetMolFrags(cc.rdkit_mol))>1:
@@ -575,11 +575,11 @@ def build_noncovalent_CC(basename: str) -> ChemicalComponent:
 
         cc = cc.make_pretty_smiles()
 
-        # Try Meeko check
+        # Check
         try:
-            cc.meeko_check()
+            cc.ResidueTemplate_check()
         except Exception as e:
-            err = f"Template {cc.resname} Failed to pass Meeko check. Error: {e}"
+            err = f"Template {cc.resname} Failed to pass ResidueTemplate check. Error: {e}"
             logging.error(err)
             raise ChemTempCreationError(err)
             
@@ -598,8 +598,6 @@ def main():
     #    sys.exit(2)
 
     """Download components.cif"""
-    import urllib.request
-
     url = "https://files.wwpdb.org/pub/pdb/data/monomers/components.cif"
     source_cif = file_path = "components.cif"
 

From 41dc96197ea6897de80425401e41dc5697654c5a Mon Sep 17 00:00:00 2001
From: Amy He <ayhe1768@gmail.com>
Date: Fri, 18 Oct 2024 14:44:15 -0700
Subject: [PATCH 083/166] avoid GetAtomWithIdx

---
 meeko/chemtempgen.py | 41 ++++++++++++++++++-----------------------
 1 file changed, 18 insertions(+), 23 deletions(-)

diff --git a/meeko/chemtempgen.py b/meeko/chemtempgen.py
index d1804624..32bed7b5 100644
--- a/meeko/chemtempgen.py
+++ b/meeko/chemtempgen.py
@@ -5,6 +5,7 @@
 import urllib.request
 import time
 import tempfile
+import re
 
 from rdkit import Chem
 from rdkit.Chem import rdmolops
@@ -84,6 +85,7 @@ def get_atom_idx_by_patterns(mol: Chem.Mol, allowed_smarts: str,
     else:
         match_allowed = match_allowed[0]
     
+    atoms_in_mol = (atom for atom in mol.GetAtoms())
     for wanted_smarts in wanted_smarts_loc: 
         lmol = Chem.MolFromSmarts(wanted_smarts)
         match_wanted = mol.GetSubstructMatches(lmol)
@@ -91,8 +93,8 @@ def get_atom_idx_by_patterns(mol: Chem.Mol, allowed_smarts: str,
             logging.warning(f"Molecule doesn't contain wanted_smarts: {wanted_smarts} -> continue with next pattern... ")
             continue
         for match_copy in match_wanted:
-            match_in_copy = [idx for idx in match_copy if match_copy.index(idx) in wanted_smarts_loc[wanted_smarts]]
-            match_wanted_atoms = {mol.GetAtomWithIdx(idx) for idx in match_in_copy if idx in match_allowed}
+            match_in_copy = (idx for idx in match_copy if match_copy.index(idx) in wanted_smarts_loc[wanted_smarts])
+            match_wanted_atoms = {atoms_in_mol[idx] for idx in match_in_copy if idx in match_allowed}
             if match_wanted_atoms: 
                 wanted_atoms_idx.update(atom.GetIdx() for atom in match_wanted_atoms)
     
@@ -121,7 +123,8 @@ def embed(mol: Chem.Mol, allowed_smarts: str,
         leaving_atoms_idx.update(get_atom_idx_by_patterns(mol, allowed_smarts, leaving_smarts_loc))
 
     if leaving_atoms_idx and alsoHs:
-        leaving_Hs = [ne for atom_idx in leaving_atoms_idx for ne in mol.GetAtomWithIdx(atom_idx).GetNeighbors() if ne.GetAtomicNum() == 1]
+        atoms_in_mol = (atom for atom in mol.GetAtoms())
+        leaving_Hs = (ne for atom_idx in leaving_atoms_idx for ne in atoms_in_mol[atom_idx].GetNeighbors() if ne.GetAtomicNum() == 1)
         leaving_atoms_idx.update(atom.GetIdx() for atom in leaving_Hs)
 
     if not leaving_atoms_idx:
@@ -158,8 +161,8 @@ def cap(mol: Chem.Mol, allowed_smarts: str,
         return mol
     
     def get_max_Hid(mol: Chem.Mol) -> int:
-        all_Hids = [atom.GetProp('atom_id') for atom in mol.GetAtoms() if atom.GetAtomicNum()==1]
-        regular_ids = [Hid for Hid in all_Hids if Hid[0]=='H' and Hid[1:].isdigit()]
+        all_Hids = (atom.GetProp('atom_id') for atom in mol.GetAtoms() if atom.GetAtomicNum()==1)
+        regular_ids = (Hid for Hid in all_Hids if Hid[0]=='H' and Hid[1:].isdigit())
         if len(regular_ids) > 0:
             return max(int(x[1:]) for x in regular_ids)
         else:
@@ -167,10 +170,11 @@ def get_max_Hid(mol: Chem.Mol) -> int:
     
     rwmol = Chem.RWMol(mol)
     new_Hid = get_max_Hid(mol) + 1
+    atoms_in_mol = (atom for atom in mol.GetAtoms())
     for atom_idx in capping_atoms_idx:
-        needed_Hs = mol.GetAtomWithIdx(atom_idx).GetNumImplicitHs()
+        needed_Hs = atoms_in_mol[atom_idx].GetNumImplicitHs()
         if needed_Hs == 0:
-            logging.warning(f"Atom # {atom_idx} ({mol.GetAtomWithIdx(atom_idx).GetProp('atom_id')}) in mol doesn't have implicit Hs -> continue with next atom... ")
+            logging.warning(f"Atom # {atom_idx} ({atoms_in_mol[atom_idx].GetProp('atom_id')}) in mol doesn't have implicit Hs -> continue with next atom... ")
         else:
             new_atom = Chem.Atom("H")
             new_atom.SetProp('atom_id', f"H{new_Hid}")
@@ -201,7 +205,7 @@ def deprotonate(mol, acidic_proton_loc: dict[str, int] = None) -> Chem.Mol:
                         f"{acidic_proton_loc}" + 
                         f"-> deprotonate returning original mol... ")
         return mol
-     
+    
     rwmol = Chem.RWMol(mol)
     for atom_idx in sorted(acidic_protons_idx, reverse=True):
         rwmol.RemoveAtom(atom_idx)
@@ -221,10 +225,10 @@ def get_smiles_with_atom_names(mol: Chem.Mol) -> tuple[str, list[str]]:
     smiles_exh = Chem.MolToSmiles(mol, allHsExplicit=True)
 
     smiles_atom_output_order = mol.GetProp('_smilesAtomOutputOrder')
-    delimiters = ['[', ']', ',']
+    delimiters = ('[', ']', ',')
     for delimiter in delimiters:
         smiles_atom_output_order = smiles_atom_output_order.replace(delimiter, ' ')
-    smiles_output_order = [int(x) for x in smiles_atom_output_order.split()]
+    smiles_output_order = (int(x) for x in smiles_atom_output_order.split())
 
     atom_name = [mol.GetAtomWithIdx(atom_i).GetProp('atom_id') for atom_i in smiles_output_order]
 
@@ -234,17 +238,7 @@ def get_smiles_with_atom_names(mol: Chem.Mol) -> tuple[str, list[str]]:
 def get_pretty_smiles(smi: str) -> str: 
     """Convert Smiles with allHsExplicit to pretty Smiles to be put on chem templates"""
     # collect the inside square brackets contents
-    contents = set()
-    inside_bracket = False
-    for char in smi:
-        if char == '[':
-            inside_bracket = True
-            content = ""
-        elif char == ']' and inside_bracket:
-            inside_bracket = False
-            contents.add(content)
-        elif inside_bracket:
-            content += char
+    contents = set(re.findall(r'\[([^\]]+)\]', smi))
 
     def is_chemical_element(symbol: str) -> bool:
         """Check if a string represents a valid chemical element."""
@@ -427,13 +421,14 @@ def make_link_labels_from_patterns(self, pattern_to_label_mapping = {}):
         for pattern in pattern_to_label_mapping:
             atom_idx = get_atom_idx_by_patterns(self.rdkit_mol, allowed_smarts = Chem.MolToSmarts(self.rdkit_mol), 
                                                 wanted_smarts_loc = {pattern: {0}})
+            atoms_in_mol = (atom for atom in self.rdkit_mol.GetAtoms())
             if not atom_idx:
                 logging.warning(f"Molecule doesn't contain pattern: {pattern} -> linker label for {pattern_to_label_mapping[pattern]} will not be made. ")
             elif len(atom_idx) > 1:
                 logging.warning(f"Molecule contain multiple copies of pattern: {pattern} -> linker label for {pattern_to_label_mapping[pattern]} will not be made. ")
             else:
                 atom_idx = next(iter(atom_idx))
-                name = self.rdkit_mol.GetAtomWithIdx(atom_idx).GetProp('atom_id')
+                name = atoms_in_mol[atom_idx].GetProp('atom_id')
                 self.link_labels.update({str(self.atom_name.index(name)): pattern_to_label_mapping[pattern]})
 
         return self
@@ -587,7 +582,7 @@ def build_noncovalent_CC(basename: str) -> ChemicalComponent:
     return cc
 
 
-# Example
+# This is an Example to make standard NA templates
 def main(): 
 
     # """Download components.cif"""

From 608749c29189911a171d04369d72b4c79358ca56 Mon Sep 17 00:00:00 2001
From: diogom <diogom@scripps.edu>
Date: Fri, 18 Oct 2024 15:03:16 -0700
Subject: [PATCH 084/166] test export of flexres to full rec pdb

---
 scripts/mk_prepare_receptor.py                |   3 +-
 test/flexres_export_test.py                   |  67 +++++++++++
 .../just-three-residues_vina_flexres.pdbqt    | 104 ++++++++++++++++++
 3 files changed, 173 insertions(+), 1 deletion(-)
 create mode 100644 test/linked_rdkit_chorizo_data/just-three-residues_vina_flexres.pdbqt

diff --git a/scripts/mk_prepare_receptor.py b/scripts/mk_prepare_receptor.py
index 2da28141..d5fd23df 100755
--- a/scripts/mk_prepare_receptor.py
+++ b/scripts/mk_prepare_receptor.py
@@ -870,7 +870,8 @@ def warn_flexres_outside_box(chorizo, box_center, box_size):
             # relies on --write_gpf forcing --write_pdbqt which sets rigid_fn
             box_fn = str(pathlib.Path(rigid_fn).with_suffix(".box.pdb"))
         else:
-            box_fn = box_vina_fn.replace(".box.txt", ".box.pdb")
+            # suffix .pdb even if box_vina_fn does not end with ".txt"
+            box_fn = box_vina_fn.replace(".txt", "") + ".pdb"
         written_files_log["filename"].append(box_fn)
         written_files_log["description"].append("PDB file to visualize the grid box")
         with open(box_fn, "w") as f:
diff --git a/test/flexres_export_test.py b/test/flexres_export_test.py
index 32352722..4deae0d8 100644
--- a/test/flexres_export_test.py
+++ b/test/flexres_export_test.py
@@ -1,4 +1,27 @@
+import json
+import pathlib
 from meeko import utils
+from meeko import LinkedRDKitChorizo
+from meeko import MoleculePreparation
+from meeko import ResidueChemTemplates
+from meeko import PDBQTMolecule
+from meeko import export_pdb_updated_flexres
+import meeko
+
+pkgdir = pathlib.Path(meeko.__file__).parents[1]
+just_three_residues = pkgdir / "test/linked_rdkit_chorizo_data/just-three-residues.pdb"
+j3r_docked = pkgdir / "test/linked_rdkit_chorizo_data/just-three-residues_vina_flexres.pdbqt"
+
+meekodir = pathlib.Path(meeko.__file__).parents[0]
+
+with open(meekodir / "data" / "residue_chem_templates.json") as f:
+    t = json.load(f)
+chem_templates = ResidueChemTemplates.from_dict(t)
+mk_prep = MoleculePreparation(
+    merge_these_atom_types=["H"],
+    charge_model="gasteiger",
+    load_atom_params="ad4_types",
+)
 
 def test_begin_res_parsing():
     assert utils.parse_begin_res("SE8 C 23") == "C:23" 
@@ -10,3 +33,47 @@ def test_begin_res_parsing():
     assert utils.parse_begin_res(" A1234A") == "A:1234A"
     assert utils.parse_begin_res(" B1234") == "B:1234"
     assert utils.parse_begin_res("S  23A") == "S:23A"
+
+def get_x_from_pdb_str(pdbstr, wanted_chain, wanted_resnum, wanted_name):
+    for line in pdbstr.splitlines():
+        if not line.startswith("ATOM") and not line.startswith("HETATM"):
+            continue
+        resn = int(line[22:26])
+        name = line[12:16].strip()
+        c = line[21].strip()
+        if resn == wanted_resnum and name == wanted_name and c == wanted_chain:
+            return float(line[30:38])
+    return None
+
+def test_export_sidechains():
+    with open(just_three_residues) as f:
+        pdb_string = f.read()
+    chorizo = LinkedRDKitChorizo.from_pdb_string(
+        pdb_string,
+        chem_templates,
+        mk_prep,
+    )
+    # docking had these two flexible
+    chorizo.flexibilize_sidechain(":15", mk_prep)
+    chorizo.flexibilize_sidechain(":16", mk_prep)
+    
+    with open(j3r_docked) as f:
+        docked_pdbqt_string = f.read()
+    pdbqt_mol = PDBQTMolecule(docked_pdbqt_string, skip_typing=True)
+    pdbqt_mol._current_pose = 0
+    pdb_string = export_pdb_updated_flexres(chorizo, pdbqt_mol)
+    x = get_x_from_pdb_str(pdb_string, "", 15, "SD")
+    assert abs(x - 10.529) < 0.0001
+    pdbqt_mol._current_pose = 1
+    pdb_string = export_pdb_updated_flexres(chorizo, pdbqt_mol)
+    x = get_x_from_pdb_str(pdb_string, "", 16, "HG")
+    assert abs(x - 18.724) < 0.0001
+
+    # rebuilding chorizo can fail if structure is mangled
+    chorizo = LinkedRDKitChorizo.from_pdb_string(
+        pdb_string,
+        chem_templates,
+        mk_prep,
+    )
+    chorizo.flexibilize_sidechain(":16", mk_prep)
+    assert len(chorizo.get_valid_residues()) == 3
diff --git a/test/linked_rdkit_chorizo_data/just-three-residues_vina_flexres.pdbqt b/test/linked_rdkit_chorizo_data/just-three-residues_vina_flexres.pdbqt
new file mode 100644
index 00000000..fd54cbfc
--- /dev/null
+++ b/test/linked_rdkit_chorizo_data/just-three-residues_vina_flexres.pdbqt
@@ -0,0 +1,104 @@
+MODEL 1
+REMARK VINA RESULT:    -2.013      0.000      0.000
+REMARK INTER + INTRA:          -2.570
+REMARK INTER:                  -2.013
+REMARK INTRA:                  -0.558
+REMARK UNBOUND:                -0.558
+REMARK SMILES O
+REMARK SMILES IDX 1 1
+REMARK H PARENT 1 2 1 3
+ROOT
+ATOM      1  O   UNL     1      16.721  15.466  14.744  1.00  0.00    -0.412 OA
+ATOM      2  H   UNL     1      17.058  16.227  14.208  1.00  0.00     0.206 HD
+ATOM      3  H   UNL     1      17.531  15.077  15.161  1.00  0.00     0.206 HD
+ENDROOT
+TORSDOF 0
+REMARK SMILES O
+REMARK SMILES IDX 1 1
+REMARK H PARENT 1 2 1 3
+ROOT
+ATOM      1  O   UNL     1      16.858  17.146  17.088  1.00  0.00    -0.412 OA
+ATOM      2  H   UNL     1      16.499  16.234  17.227  1.00  0.00     0.206 HD
+ATOM      3  H   UNL     1      16.251  17.554  16.421  1.00  0.00     0.206 HD
+ENDROOT
+TORSDOF 0
+BEGIN_RES MET  15
+ROOT
+ATOM      1  CA  MET    15      13.351  17.068  16.029  1.00  0.00     0.172 C 
+ENDROOT
+BRANCH   1   2
+ATOM      2  CB  MET    15      13.177  17.850  17.335  1.00  0.00     0.046 C 
+BRANCH   2   3
+ATOM      3  CG  MET    15      11.746  17.799  17.855  1.00  0.00     0.072 C 
+BRANCH   3   4
+ATOM      4  SD  MET    15      10.529  18.410  16.670  1.00  0.00    -0.165 SA
+ATOM      5  CE  MET    15      11.070  20.066  16.480  1.00  0.00     0.085 C 
+ENDBRANCH   3   4
+ENDBRANCH   2   3
+ENDBRANCH   1   2
+END_RES MET  15
+BEGIN_RES SER  16
+ROOT
+ATOM      6  CA  SER    16      15.812  18.990  13.787  1.00  0.00     0.197 C 
+ENDROOT
+BRANCH   6   7
+ATOM      7  CB  SER    16      17.291  19.276  14.049  1.00  0.00     0.191 C 
+BRANCH   7   8
+ATOM      8  OG  SER    16      17.979  18.097  14.470  1.00  0.00    -0.392 OA
+ATOM      9  HG  SER    16      17.410  17.334  14.348  1.00  0.00     0.210 HD
+ENDBRANCH   7   8
+ENDBRANCH   6   7
+END_RES SER  16
+ENDMDL
+MODEL 2
+REMARK VINA RESULT:    -2.003      0.926      1.908
+REMARK INTER + INTRA:          -2.560
+REMARK INTER:                  -2.010
+REMARK INTRA:                  -0.550
+REMARK UNBOUND:                -0.558
+REMARK SMILES O
+REMARK SMILES IDX 1 1
+REMARK H PARENT 1 2 1 3
+ROOT
+ATOM      1  O   UNL     1      16.854  17.156  17.093  1.00  0.00    -0.412 OA
+ATOM      2  H   UNL     1      16.662  16.330  17.604  1.00  0.00     0.206 HD
+ATOM      3  H   UNL     1      15.963  17.502  16.835  1.00  0.00     0.206 HD
+ENDROOT
+TORSDOF 0
+REMARK SMILES O
+REMARK SMILES IDX 1 1
+REMARK H PARENT 1 2 1 3
+ROOT
+ATOM      1  O   UNL     1      16.726  15.468  14.747  1.00  0.00    -0.412 OA
+ATOM      2  H   UNL     1      15.875  15.564  14.249  1.00  0.00     0.206 HD
+ATOM      3  H   UNL     1      17.078  14.586  14.468  1.00  0.00     0.206 HD
+ENDROOT
+TORSDOF 0
+BEGIN_RES MET  15
+ROOT
+ATOM      1  CA  MET    15      13.351  17.068  16.029  1.00  0.00     0.172 C 
+ENDROOT
+BRANCH   1   2
+ATOM      2  CB  MET    15      13.177  17.850  17.335  1.00  0.00     0.046 C 
+BRANCH   2   3
+ATOM      3  CG  MET    15      11.712  18.037  17.708  1.00  0.00     0.072 C 
+BRANCH   3   4
+ATOM      4  SD  MET    15      10.951  19.478  16.933  1.00  0.00    -0.165 SA
+ATOM      5  CE  MET    15       9.965  18.700  15.711  1.00  0.00     0.085 C 
+ENDBRANCH   3   4
+ENDBRANCH   2   3
+ENDBRANCH   1   2
+END_RES MET  15
+BEGIN_RES SER  16
+ROOT
+ATOM      6  CA  SER    16      15.812  18.990  13.787  1.00  0.00     0.197 C 
+ENDROOT
+BRANCH   6   7
+ATOM      7  CB  SER    16      17.291  19.276  14.049  1.00  0.00     0.191 C 
+BRANCH   7   8
+ATOM      8  OG  SER    16      17.979  18.097  14.470  1.00  0.00    -0.392 OA
+ATOM      9  HG  SER    16      18.724  18.342  15.024  1.00  0.00     0.210 HD
+ENDBRANCH   7   8
+ENDBRANCH   6   7
+END_RES SER  16
+ENDMDL

From a34deac65f542681706b050731d41899753a8fe2 Mon Sep 17 00:00:00 2001
From: Amy He <ayhe1768@gmail.com>
Date: Fri, 18 Oct 2024 16:13:03 -0700
Subject: [PATCH 085/166] flexible recommendations for ChorizoCreationError

---
 meeko/chemtempgen.py           |  8 ++--
 meeko/linked_rdkit_chorizo.py  | 74 +++++++++++++++++++++++++---------
 scripts/mk_prepare_receptor.py | 29 ++-----------
 3 files changed, 65 insertions(+), 46 deletions(-)

diff --git a/meeko/chemtempgen.py b/meeko/chemtempgen.py
index 32bed7b5..7e4f661e 100644
--- a/meeko/chemtempgen.py
+++ b/meeko/chemtempgen.py
@@ -230,7 +230,8 @@ def get_smiles_with_atom_names(mol: Chem.Mol) -> tuple[str, list[str]]:
         smiles_atom_output_order = smiles_atom_output_order.replace(delimiter, ' ')
     smiles_output_order = (int(x) for x in smiles_atom_output_order.split())
 
-    atom_name = [mol.GetAtomWithIdx(atom_i).GetProp('atom_id') for atom_i in smiles_output_order]
+    atom_id_dict = {atom.GetIdx(): atom.GetProp('atom_id') for atom in mol.GetAtoms()}
+    atom_name = [atom_id_dict[atom_i] for atom_i in smiles_output_order]
 
     return smiles_exh, atom_name
 
@@ -537,8 +538,9 @@ def fetch_from_pdb(resname: str, max_retries = 5, backoff_factor = 2) -> str:
                 logging.info(f"Download failed for {resname}. Error: {e}. Retrying in {wait_time} seconds...")
                 time.sleep(wait_time)
             else:
-                logging.error(f"Max retries reached. Could not download CIF file for {resname}. Error: {e}")
-                return None
+                err = f"Max retries reached. Could not download CIF file for {resname}. Error: {e}"
+                logging.error(err)
+                raise ChemTempCreationError(err)
 
 # Constants for deprotonate
 acidic_proton_loc_canonical = {
diff --git a/meeko/linked_rdkit_chorizo.py b/meeko/linked_rdkit_chorizo.py
index baba2860..691ebd0a 100644
--- a/meeko/linked_rdkit_chorizo.py
+++ b/meeko/linked_rdkit_chorizo.py
@@ -453,8 +453,29 @@ def _delete_residues(res_to_delete, raw_input_mols):
         raise ValueError(msg)
     return
 
+
 class ChorizoCreationError(RuntimeError):
-    pass
+
+    def __init__(self, error: str, recommendations: str = None): 
+        super().__init__(error) # main error message to pass to RuntimeError
+        self.error = error
+        self.recommendations = recommendations
+
+    def __str__(self):
+        msg = "" + os_linesep
+        msg += "Error: Creation of data structure for receptor failed." + os_linesep
+        msg += "" + os_linesep
+        msg += "Details:" + os_linesep
+        msg += self.error + os_linesep
+        msg += "" + os_linesep
+
+        if self.recommendations: 
+            msg += "Recommendations:" + os_linesep
+            msg += self.recommendations + os_linesep
+            msg += "" + os_linesep
+        
+        return msg
+
 
 def handle_parsing_situations(
     unmatched_res,
@@ -495,7 +516,13 @@ def handle_parsing_situations(
         err += msg
 
     if err:
-        raise ChorizoCreationError(err)
+        recs = "1. (for batch processing) Use -a/--allow_bad_res to automatically remove residues" + os_linesep
+        recs += "that do not match templates, and --default_altloc to set" + os_linesep
+        recs += "a default altloc variant. Use these at your own risk." + os_linesep
+        recs += "" + os_linesep
+        recs += "2. (processing individual structure) Inspecting and fixing the input structure is recommended." + os_linesep
+        recs += "Use --wanted_altloc to set variants for specific residues."
+        raise ChorizoCreationError(err, recs)
     return
 
 
@@ -691,27 +718,38 @@ def __init__(
 
         # check if input assigned residue name in residue_templates
         err = ""
-        unknown_res_from_input = set(res_id for res_id in raw_input_mols if raw_input_mols[res_id][1] not in residue_templates.keys() | ambiguous.keys())
+        supported_resnames = residue_templates.keys()
+        unknown_res_from_input = {res_id: raw_input_mols[res_id][1] for res_id in raw_input_mols if raw_input_mols[res_id][1] not in supported_resnames}
         if len(unknown_res_from_input) > 0:
-            err += f"Input residue names {set(raw_input_mols[res_id][1] for res_id in unknown_res_from_input)} not in residue_templates" + os_linesep
+            err += f"Input residues {unknown_res_from_input} not in residue_templates" + os_linesep
         unknown_res_from_assign = set()
         if set_template:
-            unknown_res_from_assign = set(res_id for res_id in set_template if set_template[res_id] not in residue_templates.keys() | ambiguous.keys())
-            if len(unknown_res_from_input) > 0:
-                err += f"Assigned residue names {set(set_template[res_id] for res_id in unknown_res_from_assign)} not in residue_templates" + os_linesep
+            unknown_res_from_assign = {res_id: set_template[res_id] for res_id in set_template if set_template[res_id] not in supported_resnames}
+            if len(unknown_res_from_assign) > 0:
+                err += f"Assigned residues {unknown_res_from_assign} not in residue_templates" + os_linesep
         if err: 
             print(err)
-
-            unknown_res =  set(raw_input_mols[res_id][1] for res_id in unknown_res_from_input) | set(set_template[res_id] for res_id in unknown_res_from_assign)
-            for resname in unknown_res: 
-                cc = build_noncovalent_CC(resname)
-                fetch_template_dict = json.loads(export_chem_templates_to_json([cc]))['residue_templates'][resname]
-                residue_templates.update({resname: 
-                                          ResidueTemplate(
-                                              smiles = fetch_template_dict['smiles'],
-                                              atom_names = fetch_template_dict['atom_name'],
-                                              link_labels = fetch_template_dict['link_labels'])})
-            # raise ValueError(f"{err}")
+            print("Trying to resolve unknown residues by building chemical templates... " + os_linesep)
+
+            all_unknown_res = unknown_res_from_input.copy()
+            all_unknown_res.update(unknown_res_from_assign)
+
+            bonded_unknown_res = {res_id: all_unknown_res[res_id] for res_id in all_unknown_res if any(tup for tup in bonds if res_id in bonds)}
+            if bonded_unknown_res:
+                raise NotImplementedError(f"Unknown residues: {bonded_unknown_res} appear to be linking fragments. " + os_linesep
+                                          + "Guessing chemical templates with linker_labels are not currently supported. ")
+
+            try: 
+                for resname in all_unknown_res.values(): 
+                    cc = build_noncovalent_CC(resname)
+                    fetch_template_dict = json.loads(export_chem_templates_to_json([cc]))['residue_templates'][resname]
+                    residue_templates.update({resname: 
+                                            ResidueTemplate(
+                                                smiles = fetch_template_dict['smiles'],
+                                                atom_names = fetch_template_dict['atom_name'],
+                                                link_labels = fetch_template_dict['link_labels'])})
+            except Exception as e: 
+                raise ChorizoCreationError(str(e))
 
         self.residues, self.log = self._get_residues(
             raw_input_mols,
diff --git a/scripts/mk_prepare_receptor.py b/scripts/mk_prepare_receptor.py
index b01fe860..7c54da31 100755
--- a/scripts/mk_prepare_receptor.py
+++ b/scripts/mk_prepare_receptor.py
@@ -520,20 +520,8 @@ def get_args():
                 wanted_altloc=wanted_altloc,
                 default_altloc=args.default_altloc,
             )
-        except ChorizoCreationError as err:
-            print()
-            print("Error: Creation of data structure for receptor failed.")
-            print()
-            print("Details: ")
-            print(err)
-            print()
-            print("Recommendations: ")
-            print("1. (for batch processing) Use -a/--allow_bad_res to automatically remove residues")
-            print("that do not match templates, and --default_altloc to set")
-            print("a default altloc variant. Use these at your own risk.")
-            print()
-            print("2. (processing individual structure) Inspecting and fixing the input structure is recommended.")
-            print("Use --wanted_altloc to set variants for specific residues.")
+        except ChorizoCreationError as e:
+            print(e)
             sys.exit(1)
 else:
     with open(args.read_pdb) as f:
@@ -550,17 +538,8 @@ def get_args():
             wanted_altloc=wanted_altloc,
             default_altloc=args.default_altloc,
         )
-    except ChorizoCreationError as err:
-        print()
-        print("Creation of data structure for receptor failed.")
-        print()
-        print(err)
-        print("Use -a/--allow_bad_res to automatically remove residues")
-        print("that do not match templates, and --default_altloc to set")
-        print("a default altloc variant. Use these at your own risk.")
-        print()
-        print("Inspecting and fixing the input structure is recommended.")
-        print("Use --wanted_altloc to set variants for specific residues.")
+    except ChorizoCreationError as e:
+        print(e)
         sys.exit(1)
 
 

From 025e94c4274d19564ef01ed5def62f61ca37c284 Mon Sep 17 00:00:00 2001
From: Amy He <ayhe1768@gmail.com>
Date: Fri, 18 Oct 2024 16:23:26 -0700
Subject: [PATCH 086/166] fix typo

---
 meeko/chemtempgen.py | 8 ++++----
 1 file changed, 4 insertions(+), 4 deletions(-)

diff --git a/meeko/chemtempgen.py b/meeko/chemtempgen.py
index 7e4f661e..c1fcdd93 100644
--- a/meeko/chemtempgen.py
+++ b/meeko/chemtempgen.py
@@ -85,7 +85,7 @@ def get_atom_idx_by_patterns(mol: Chem.Mol, allowed_smarts: str,
     else:
         match_allowed = match_allowed[0]
     
-    atoms_in_mol = (atom for atom in mol.GetAtoms())
+    atoms_in_mol = [atom for atom in mol.GetAtoms()]
     for wanted_smarts in wanted_smarts_loc: 
         lmol = Chem.MolFromSmarts(wanted_smarts)
         match_wanted = mol.GetSubstructMatches(lmol)
@@ -123,7 +123,7 @@ def embed(mol: Chem.Mol, allowed_smarts: str,
         leaving_atoms_idx.update(get_atom_idx_by_patterns(mol, allowed_smarts, leaving_smarts_loc))
 
     if leaving_atoms_idx and alsoHs:
-        atoms_in_mol = (atom for atom in mol.GetAtoms())
+        atoms_in_mol = [atom for atom in mol.GetAtoms()]
         leaving_Hs = (ne for atom_idx in leaving_atoms_idx for ne in atoms_in_mol[atom_idx].GetNeighbors() if ne.GetAtomicNum() == 1)
         leaving_atoms_idx.update(atom.GetIdx() for atom in leaving_Hs)
 
@@ -170,7 +170,7 @@ def get_max_Hid(mol: Chem.Mol) -> int:
     
     rwmol = Chem.RWMol(mol)
     new_Hid = get_max_Hid(mol) + 1
-    atoms_in_mol = (atom for atom in mol.GetAtoms())
+    atoms_in_mol = [atom for atom in mol.GetAtoms()]
     for atom_idx in capping_atoms_idx:
         needed_Hs = atoms_in_mol[atom_idx].GetNumImplicitHs()
         if needed_Hs == 0:
@@ -422,7 +422,7 @@ def make_link_labels_from_patterns(self, pattern_to_label_mapping = {}):
         for pattern in pattern_to_label_mapping:
             atom_idx = get_atom_idx_by_patterns(self.rdkit_mol, allowed_smarts = Chem.MolToSmarts(self.rdkit_mol), 
                                                 wanted_smarts_loc = {pattern: {0}})
-            atoms_in_mol = (atom for atom in self.rdkit_mol.GetAtoms())
+            atoms_in_mol = [atom for atom in self.rdkit_mol.GetAtoms()]
             if not atom_idx:
                 logging.warning(f"Molecule doesn't contain pattern: {pattern} -> linker label for {pattern_to_label_mapping[pattern]} will not be made. ")
             elif len(atom_idx) > 1:

From c5f4582ee86015c60263e25ec29ba6f4a0642196 Mon Sep 17 00:00:00 2001
From: Amy He <ayhe1768@gmail.com>
Date: Fri, 18 Oct 2024 16:31:47 -0700
Subject: [PATCH 087/166] fix typos - misuse of generator

---
 meeko/chemtempgen.py | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/meeko/chemtempgen.py b/meeko/chemtempgen.py
index c1fcdd93..d2c04a00 100644
--- a/meeko/chemtempgen.py
+++ b/meeko/chemtempgen.py
@@ -162,7 +162,7 @@ def cap(mol: Chem.Mol, allowed_smarts: str,
     
     def get_max_Hid(mol: Chem.Mol) -> int:
         all_Hids = (atom.GetProp('atom_id') for atom in mol.GetAtoms() if atom.GetAtomicNum()==1)
-        regular_ids = (Hid for Hid in all_Hids if Hid[0]=='H' and Hid[1:].isdigit())
+        regular_ids = {Hid for Hid in all_Hids if Hid[0]=='H' and Hid[1:].isdigit()}
         if len(regular_ids) > 0:
             return max(int(x[1:]) for x in regular_ids)
         else:

From b602112d25e8fa8a59b697e8e74161fcbd78f981 Mon Sep 17 00:00:00 2001
From: Amy He <ayhe1768@gmail.com>
Date: Fri, 18 Oct 2024 17:06:21 -0700
Subject: [PATCH 088/166] add recommendations for bonded_unknown_res

---
 meeko/linked_rdkit_chorizo.py | 12 +++++++-----
 1 file changed, 7 insertions(+), 5 deletions(-)

diff --git a/meeko/linked_rdkit_chorizo.py b/meeko/linked_rdkit_chorizo.py
index 691ebd0a..1eed12ba 100644
--- a/meeko/linked_rdkit_chorizo.py
+++ b/meeko/linked_rdkit_chorizo.py
@@ -718,7 +718,7 @@ def __init__(
 
         # check if input assigned residue name in residue_templates
         err = ""
-        supported_resnames = residue_templates.keys()
+        supported_resnames = residue_templates.keys() | ambiguous.keys()
         unknown_res_from_input = {res_id: raw_input_mols[res_id][1] for res_id in raw_input_mols if raw_input_mols[res_id][1] not in supported_resnames}
         if len(unknown_res_from_input) > 0:
             err += f"Input residues {unknown_res_from_input} not in residue_templates" + os_linesep
@@ -729,15 +729,17 @@ def __init__(
                 err += f"Assigned residues {unknown_res_from_assign} not in residue_templates" + os_linesep
         if err: 
             print(err)
-            print("Trying to resolve unknown residues by building chemical templates... " + os_linesep)
+            print("Trying to resolve unknown residues by building chemical templates... ")
 
             all_unknown_res = unknown_res_from_input.copy()
             all_unknown_res.update(unknown_res_from_assign)
 
-            bonded_unknown_res = {res_id: all_unknown_res[res_id] for res_id in all_unknown_res if any(tup for tup in bonds if res_id in bonds)}
+            bonded_unknown_res = {res_id: all_unknown_res[res_id] for res_id in all_unknown_res if any(tup for tup in bonds if res_id in tup)}
             if bonded_unknown_res:
-                raise NotImplementedError(f"Unknown residues: {bonded_unknown_res} appear to be linking fragments. " + os_linesep
-                                          + "Guessing chemical templates with linker_labels are not currently supported. ")
+                raise ChorizoCreationError(f"Unknown residues: {bonded_unknown_res} appear to be linking fragments. " + os_linesep
+                                          + "Guessing chemical templates with linker_labels are not currently supported. ", 
+                                          "1. (to parameterize the residues) Use --add_templates to pass the additional templates with valid linker_labels, " + os_linesep
+                                          + "2. (to skip the residues) Use --delete_residues to ignore them. Residues will be deleted from the prepared receptor. ")
 
             try: 
                 for resname in all_unknown_res.values(): 

From 37a83583168611750742022442750c892db2ef50 Mon Sep 17 00:00:00 2001
From: Amy He <ayhe1768@gmail.com>
Date: Fri, 18 Oct 2024 18:01:21 -0700
Subject: [PATCH 089/166] do not log before raising error

---
 meeko/chemtempgen.py | 3 ---
 1 file changed, 3 deletions(-)

diff --git a/meeko/chemtempgen.py b/meeko/chemtempgen.py
index d2c04a00..4c8a4561 100644
--- a/meeko/chemtempgen.py
+++ b/meeko/chemtempgen.py
@@ -539,7 +539,6 @@ def fetch_from_pdb(resname: str, max_retries = 5, backoff_factor = 2) -> str:
                 time.sleep(wait_time)
             else:
                 err = f"Max retries reached. Could not download CIF file for {resname}. Error: {e}"
-                logging.error(err)
                 raise ChemTempCreationError(err)
 
 # Constants for deprotonate
@@ -567,7 +566,6 @@ def build_noncovalent_CC(basename: str) -> ChemicalComponent:
         cc = cc.make_canonical(acidic_proton_loc = acidic_proton_loc_canonical)
         if len(rdmolops.GetMolFrags(cc.rdkit_mol))>1:
             err = f"Template Generation failed for {cc.resname}. Error: Molecule breaks into fragments during the deleterious editing. "
-            logging.error(err)
             raise ChemTempCreationError(err)
 
         cc = cc.make_pretty_smiles()
@@ -577,7 +575,6 @@ def build_noncovalent_CC(basename: str) -> ChemicalComponent:
             cc.ResidueTemplate_check()
         except Exception as e:
             err = f"Template {cc.resname} Failed to pass ResidueTemplate check. Error: {e}"
-            logging.error(err)
             raise ChemTempCreationError(err)
             
         logger.info(f"*** finish making {cc.resname} ***")

From 0870f0aece129e6b61bba3c4c317513c3489c3fa Mon Sep 17 00:00:00 2001
From: Amy He <ayhe1768@gmail.com>
Date: Fri, 18 Oct 2024 18:51:10 -0700
Subject: [PATCH 090/166] fix mismatched types in cc.link_labels vs atom_idx

---
 meeko/chemtempgen.py | 4 ++--
 1 file changed, 2 insertions(+), 2 deletions(-)

diff --git a/meeko/chemtempgen.py b/meeko/chemtempgen.py
index 4c8a4561..a6f7325e 100644
--- a/meeko/chemtempgen.py
+++ b/meeko/chemtempgen.py
@@ -452,9 +452,9 @@ def ResidueTemplate_check(self) -> bool:
         ps = Chem.SmilesParserParams()
         ps.removeHs = False
         mol = Chem.MolFromSmiles(self.smiles_exh, ps)
-        have_implicit_hs = set(atom.GetIdx() for atom in mol.GetAtoms() if atom.GetTotalNumHs() > 0)
+        have_implicit_hs = {atom.GetIdx() for atom in mol.GetAtoms() if atom.GetTotalNumHs() > 0}
 
-        if self.link_labels and set(self.link_labels) != have_implicit_hs:
+        if self.link_labels and {int(atom_id) for atom_id in self.link_labels} != have_implicit_hs:
             raise ValueError(
                 f"expected any atom with non-real Hs ({have_implicit_hs}) to be in {self.link_labels=}"
             )

From 27f60ea0ca6a4f507402112089d5fd4ddb7b38a4 Mon Sep 17 00:00:00 2001
From: Amy He <ayhe1768@gmail.com>
Date: Fri, 18 Oct 2024 20:05:18 -0700
Subject: [PATCH 091/166] small fix in NAKB templates

---
 meeko/chemtempgen.py           | 658 +++++++++++++++++++++++++++++++++
 meeko/data/NAKB_templates.json |  30 --
 2 files changed, 658 insertions(+), 30 deletions(-)
 create mode 100644 meeko/chemtempgen.py

diff --git a/meeko/chemtempgen.py b/meeko/chemtempgen.py
new file mode 100644
index 00000000..e3caa9d8
--- /dev/null
+++ b/meeko/chemtempgen.py
@@ -0,0 +1,658 @@
+import gemmi
+import json
+import pathlib
+import copy
+import urllib.request
+import time
+import tempfile
+import re
+
+from rdkit import Chem
+from rdkit.Chem import rdmolops
+
+from rdkit import RDLogger
+logger = RDLogger.logger()
+logger.setLevel(RDLogger.CRITICAL)
+import sys, logging
+logging.basicConfig(stream=sys.stdout, level=logging.WARNING)
+
+
+# Constants from linked_rdkit_chorizo
+covalent_radius = {  # from wikipedia
+        1: 0.31,
+        5: 0.84,
+        6: 0.76,
+        7: 0.71,
+        8: 0.66,
+        9: 0.57,
+        12: 0.00,  # hack to avoid bonds with metals
+        14: 1.11,
+        15: 1.07,
+        16: 1.05,
+        17: 1.02,
+        # 19: 2.03,
+        20: 0.00,
+        # 24: 1.39,
+        25: 0.00,  # hack to avoid bonds with metals
+        26: 0.00,
+        30: 0.00,  # hack to avoid bonds with metals
+        # 34: 1.20,
+        35: 1.20,
+        53: 1.39,
+    }
+list_of_AD_elements_as_AtomicNum = list(covalent_radius.keys())
+
+# Utility Functions
+def mol_contains_unexpected_element(mol: Chem.Mol, allowed_elements: list[str] = list_of_AD_elements_as_AtomicNum) -> bool:
+    """Check if mol contains unexpected elements"""
+    for atom in mol.GetAtoms():
+        if atom.GetAtomicNum() not in allowed_elements:
+            return True
+    return False
+
+
+def get_atom_idx_by_names(mol: Chem.Mol, wanted_names: set[str] = set()) -> set[int]:
+    
+    if not wanted_names:
+        return set()
+    
+    wanted_atoms_by_names = {atom for atom in mol.GetAtoms() if atom.GetProp('atom_id') in wanted_names}
+    names_not_found = wanted_names.difference({atom.GetProp('atom_id') for atom in wanted_atoms_by_names})
+    if names_not_found: 
+        logging.warning(f"Molecule doesn't contain the requested atoms with names: {names_not_found} -> continue with found names... ")
+    return {atom.GetIdx() for atom in wanted_atoms_by_names}
+
+
+def get_atom_idx_by_patterns(mol: Chem.Mol, allowed_smarts: str, 
+                             wanted_smarts_loc: dict[str, set[int]] = None,
+                             allow_multiple: bool=False) -> set[int]:
+    
+    if wanted_smarts_loc is None:
+        return set()
+    
+    wanted_atoms_idx = set()
+    
+    tmol = Chem.MolFromSmarts(allowed_smarts)
+    match_allowed = mol.GetSubstructMatches(tmol)
+    if not match_allowed:
+        logging.warning(f"Molecule doesn't contain allowed_smarts: {allowed_smarts} -> no pattern-based action will be made. ")
+        return set()
+    if len(match_allowed) > 1 and not allow_multiple: 
+        logging.warning(f"Molecule contain multiple copies of allowed_smarts: {allowed_smarts} -> no pattern-based action will be made. ")
+        return set()
+    if len(match_allowed) > 1 and allow_multiple:
+        match_allowed = {item for sublist in match_allowed for item in sublist}
+    else:
+        match_allowed = match_allowed[0]
+    
+    atoms_in_mol = [atom for atom in mol.GetAtoms()]
+    for wanted_smarts in wanted_smarts_loc: 
+        lmol = Chem.MolFromSmarts(wanted_smarts)
+        match_wanted = mol.GetSubstructMatches(lmol)
+        if not match_wanted:
+            logging.warning(f"Molecule doesn't contain wanted_smarts: {wanted_smarts} -> continue with next pattern... ")
+            continue
+        for match_copy in match_wanted:
+            match_in_copy = (idx for idx in match_copy if match_copy.index(idx) in wanted_smarts_loc[wanted_smarts])
+            match_wanted_atoms = {atoms_in_mol[idx] for idx in match_in_copy if idx in match_allowed}
+            if match_wanted_atoms: 
+                wanted_atoms_idx.update(atom.GetIdx() for atom in match_wanted_atoms)
+    
+    return wanted_atoms_idx
+
+
+# Mol Editing Functions
+def embed(mol: Chem.Mol, allowed_smarts: str, 
+          leaving_names: set[str] = None, leaving_smarts_loc: dict[str, set[int]] = None, 
+          alsoHs: bool = True) -> Chem.Mol:
+    """
+    Remove atoms from the molecule based the union of
+    (a) leaving_names: list of atom IDs (names), and
+    (b) leaving_smarts_loc: dict to map substructure SMARTS patterns with 
+    tuple of 0-based indicies for atoms to delete (restricted by allowed_smarts)
+    """
+    if leaving_names is None and leaving_smarts_loc is None:
+        return mol
+
+    leaving_atoms_idx = set()
+
+    if leaving_names:
+        leaving_atoms_idx.update(get_atom_idx_by_names(mol, leaving_names))
+
+    if leaving_smarts_loc:
+        leaving_atoms_idx.update(get_atom_idx_by_patterns(mol, allowed_smarts, leaving_smarts_loc))
+
+    if leaving_atoms_idx and alsoHs:
+        atoms_in_mol = [atom for atom in mol.GetAtoms()]
+        leaving_Hs = (ne for atom_idx in leaving_atoms_idx for ne in atoms_in_mol[atom_idx].GetNeighbors() if ne.GetAtomicNum() == 1)
+        leaving_atoms_idx.update(atom.GetIdx() for atom in leaving_Hs)
+
+    if not leaving_atoms_idx:
+        logging.warning(f"No matched atoms to delete -> embed returning original mol...")
+        return mol
+    
+    rwmol = Chem.RWMol(mol)
+    for atom_idx in sorted(leaving_atoms_idx, reverse=True): 
+        rwmol.RemoveAtom(atom_idx)
+    rwmol.UpdatePropertyCache()
+    return rwmol.GetMol()
+
+
+def cap(mol: Chem.Mol, allowed_smarts: str, 
+        capping_names: set[str] = None, capping_smarts_loc: dict[str, set[int]] = None) -> Chem.Mol:
+    """Add hydrogens to atoms with implicit hydrogens based on the union of
+    (a) capping_names: list of atom IDs (names), and
+    (b) capping_smarts_loc: dict to map substructure SMARTS patterns with 
+    tuple of 0-based indicies for atoms."""
+   
+    if capping_names is None and capping_smarts_loc is None:
+        return mol
+    
+    capping_atoms_idx = set()
+    
+    if capping_names:
+        capping_atoms_idx.update(get_atom_idx_by_names(mol, capping_names))
+
+    if capping_smarts_loc:
+        capping_atoms_idx.update(get_atom_idx_by_patterns(mol, allowed_smarts, capping_smarts_loc, allow_multiple = True))
+
+    if not capping_atoms_idx:
+        logging.warning(f"No matched atoms to cap -> cap returning original mol...")
+        return mol
+    
+    def get_max_Hid(mol: Chem.Mol) -> int:
+        all_Hids = (atom.GetProp('atom_id') for atom in mol.GetAtoms() if atom.GetAtomicNum()==1)
+        regular_ids = {Hid for Hid in all_Hids if Hid[0]=='H' and Hid[1:].isdigit()}
+        if len(regular_ids) > 0:
+            return max(int(x[1:]) for x in regular_ids)
+        else:
+            return 0
+    
+    rwmol = Chem.RWMol(mol)
+    new_Hid = get_max_Hid(mol) + 1
+    atoms_in_mol = [atom for atom in mol.GetAtoms()]
+    for atom_idx in capping_atoms_idx:
+        needed_Hs = atoms_in_mol[atom_idx].GetNumImplicitHs()
+        if needed_Hs == 0:
+            logging.warning(f"Atom # {atom_idx} ({atoms_in_mol[atom_idx].GetProp('atom_id')}) in mol doesn't have implicit Hs -> continue with next atom... ")
+        else:
+            new_atom = Chem.Atom("H")
+            new_atom.SetProp('atom_id', f"H{new_Hid}")
+            new_Hid += 1
+            new_idx = rwmol.AddAtom(new_atom)
+            rwmol.AddBond(atom_idx, new_idx, Chem.BondType.SINGLE)
+    rwmol.UpdatePropertyCache()
+    return rwmol.GetMol()
+
+
+def deprotonate(mol, acidic_proton_loc: dict[str, int] = None) -> Chem.Mol:
+    """Remove acidic protons from the molecule based on acidic_proton_loc"""
+    # acidic_proton_loc is a mapping 
+    # keys: smarts pattern of a fragment
+    # value: the index (order in smarts) of the leaving proton
+
+    if acidic_proton_loc is None:
+        return mol
+
+    # deprotonate all matched protons
+    acidic_protons_idx = set()
+    for smarts_pattern, idx in acidic_proton_loc.items():
+        qmol = Chem.MolFromSmarts(smarts_pattern)
+        acidic_protons_idx.update(match[idx] for match in mol.GetSubstructMatches(qmol))
+    
+    if not acidic_protons_idx:
+        logging.warning(f"Molecule doesn't contain matching atoms for acidic_proton_loc:" + 
+                        f"{acidic_proton_loc}" + 
+                        f"-> deprotonate returning original mol... ")
+        return mol
+    
+    rwmol = Chem.RWMol(mol)
+    for atom_idx in sorted(acidic_protons_idx, reverse=True):
+        rwmol.RemoveAtom(atom_idx)
+        neighbors = mol.GetAtomWithIdx(atom_idx).GetNeighbors()
+        if neighbors:
+            neighbor_atom = rwmol.GetAtomWithIdx(neighbors[0].GetIdx())
+            neighbor_atom.SetFormalCharge(neighbor_atom.GetFormalCharge() - 1)
+    
+    rwmol.UpdatePropertyCache()
+    return rwmol.GetMol()
+
+
+# Attribute Formatters
+def get_smiles_with_atom_names(mol: Chem.Mol) -> tuple[str, list[str]]:
+    """Generate SMILES with atom names in the order of SMILES output."""
+    # allHsExplicit may expose the implicit Hs of linker atoms to Smiles; the implicit Hs don't have names
+    smiles_exh = Chem.MolToSmiles(mol, allHsExplicit=True)
+
+    smiles_atom_output_order = mol.GetProp('_smilesAtomOutputOrder')
+    delimiters = ('[', ']', ',')
+    for delimiter in delimiters:
+        smiles_atom_output_order = smiles_atom_output_order.replace(delimiter, ' ')
+    smiles_output_order = (int(x) for x in smiles_atom_output_order.split())
+
+    atom_id_dict = {atom.GetIdx(): atom.GetProp('atom_id') for atom in mol.GetAtoms()}
+    atom_name = [atom_id_dict[atom_i] for atom_i in smiles_output_order]
+
+    return smiles_exh, atom_name
+
+
+def get_pretty_smiles(smi: str) -> str: 
+    """Convert Smiles with allHsExplicit to pretty Smiles to be put on chem templates"""
+    # collect the inside square brackets contents
+    contents = set(re.findall(r'\[([^\]]+)\]', smi))
+
+    def is_chemical_element(symbol: str) -> bool:
+        """Check if a string represents a valid chemical element."""
+        try:
+            return Chem.GetPeriodicTable().GetAtomicNumber(symbol) > 0
+        # rdkit throws RuntimeError if invalid
+        except RuntimeError:
+            return False
+
+    for content in contents:
+        # keep [H] for explicit Hs
+        if content == 'H': 
+            continue
+        # drop H in the content to hide implicit Hs
+        H_stripped = content.split('H')[0]
+        # drop [ ] if the content is an uncharged element symbol
+        if is_chemical_element(content) or is_chemical_element(H_stripped):
+            smi = smi.replace(f"[{content}]", f"{H_stripped}" if 'H' in content else f"{content}")
+    return smi
+
+
+class ChemTempCreationError(Exception):
+    def __init__(self, message):
+        super().__init__(message)
+
+
+class ChemicalComponent_LoggingControler:
+
+    def __init__(self):
+        self.logger = logging.getLogger('ChemicalComponent')
+        self.original_level = self.logger.level
+        self.rdkit_logger = RDLogger.logger()
+        self.default_rdkit_level = RDLogger.WARNING
+
+    def __enter__(self):
+        self.rdkit_logger.setLevel(RDLogger.CRITICAL)
+        self.logger.setLevel(logging.WARNING)
+        handler = logging.StreamHandler(sys.stdout)
+        self.logger.addHandler(handler)
+        return self
+    
+    def __exit__(self, exc_type, exc_value, traceback):
+        self.rdkit_logger.setLevel(self.default_rdkit_level)
+        self.logger.setLevel(self.original_level)
+        for handler in self.logger.handlers:
+            self.logger.removeHandler(handler)
+
+
+class ChemicalComponent:
+
+    def __init__(self, rdkit_mol: Chem.Mol, resname: str, smiles_exh: str, atom_name: list[str]):
+        self.rdkit_mol = rdkit_mol
+        self.resname = resname
+        self.parent = resname # default parent to itself
+        self.smiles_exh = smiles_exh
+        self.atom_name = atom_name
+        self.link_labels = {} # default to empty dict (free molecular form)
+
+    def __eq__(self, other):
+        if isinstance(other, ChemicalComponent):
+            return self.smiles_exh == other.smiles_exh and self.atom_name == other.atom_name
+        return False
+
+    @classmethod
+    def from_cif(cls, source_cif: str, resname: str):
+        """Create ChemicalComponent from a chemical component dict file and a searchable residue name in file."""
+        
+        # Locate block by resname
+        doc = gemmi.cif.read(source_cif)
+        block = doc.find_block(resname)
+        
+        # Populate atom table
+        atom_category = '_chem_comp_atom.'
+        atom_attributes = ['atom_id', # atom names
+                           'type_symbol', # atom elements
+                           'charge', # (atomic) formal charges
+                           'pdbx_leaving_atom_flag', # flags for leaving atoms after polymerization
+                           ]
+        atom_table = block.find(atom_category, atom_attributes)
+        atom_cols = {attr: atom_table.find_column(f"{atom_category}{attr}") for attr in atom_attributes}
+
+        # Summon rdkit atoms into empty RWMol
+        rwmol = Chem.RWMol()
+        atom_elements = atom_cols['type_symbol']
+
+        for idx, element in enumerate(atom_elements):
+            if len(element)==2:
+                element = element[0] + element[1].lower()
+            rdkit_atom = Chem.Atom(element)
+            for attr in atom_attributes:
+                rdkit_atom.SetProp(attr, atom_cols[attr][idx])
+                # strip double quotes in names
+                raw_name = rdkit_atom.GetProp('atom_id')
+                rdkit_atom.SetProp('atom_id', raw_name.strip('"'))
+            target_charge = atom_cols['charge'][idx]
+            if target_charge!='0':
+                rdkit_atom.SetFormalCharge(int(target_charge)) # this needs to be int for rdkit
+            rwmol.AddAtom(rdkit_atom)
+
+        # Check if rwmol contains unexpected elements
+        if mol_contains_unexpected_element(rwmol):
+            logging.warning(f"Molecule contains unexpected elements -> template for {resname} will be None. ")
+            return None
+
+        # Map atom_id (atom names) with rdkit idx
+        name_to_idx_mapping = {atom.GetProp('atom_id'): idx for (idx, atom) in enumerate(rwmol.GetAtoms())}
+
+        # Populate bond table
+        bond_category = '_chem_comp_bond.'
+        bond_attributes = ['atom_id_1', # atom name 1
+                           'atom_id_2', # atom name 2
+                           'value_order', # bond order
+                           ]
+        bond_table = block.find(bond_category, bond_attributes)
+        bond_cols = {attr: bond_table.find_column(f"{bond_category}{attr}") for attr in bond_attributes}
+
+        # Connect atoms by bonds
+        bond_type_mapping = {
+            'SING': Chem.BondType.SINGLE,
+            'DOUB': Chem.BondType.DOUBLE,
+            'TRIP': Chem.BondType.TRIPLE,
+            'AROM': Chem.BondType.AROMATIC
+        }
+        bond_types = bond_cols['value_order']
+
+        for bond_i, bond_type in enumerate(bond_types):
+            rwmol.AddBond(name_to_idx_mapping[bond_cols['atom_id_1'][bond_i].strip('"')], 
+                          name_to_idx_mapping[bond_cols['atom_id_2'][bond_i].strip('"')], 
+                          bond_type_mapping.get(bond_type, Chem.BondType.UNSPECIFIED))
+
+        # Finish eidting mol 
+        try:    
+            rwmol.UpdatePropertyCache()
+        except Exception as e:
+            logging.error(f"Failed to create rdkitmol from cif. Error: {e} -> template for {resname} will be None. ")
+            return None
+        
+        # Check implicit Hs
+        total_implicit_hydrogens = sum(atom.GetNumImplicitHs() for atom in rwmol.GetAtoms())
+        if total_implicit_hydrogens > 0:
+            logging.error(f"rdkitmol from cif has implicit hydrogens. -> template for {resname} will be None. ")
+            return None
+
+        rdkit_mol = rwmol.GetMol()
+            
+        # Get Smiles with explicit Hs and ordered atom names
+        smiles_exh, atom_name = get_smiles_with_atom_names(rdkit_mol)
+        
+        return cls(rdkit_mol, resname, smiles_exh, atom_name)
+
+
+    def make_canonical(self, acidic_proton_loc):
+        """Deprotonate acidic groups til the canonical (most deprotonated) state."""
+        self.rdkit_mol = deprotonate(self.rdkit_mol, acidic_proton_loc = acidic_proton_loc)
+        return self
+
+    def make_embedded(self, allowed_smarts, leaving_names = None, leaving_smarts_loc = None):
+        """Remove leaving atoms from the molecule by atom names and/or patterns."""
+        self.rdkit_mol = embed(self.rdkit_mol, allowed_smarts = allowed_smarts, 
+                               leaving_names = leaving_names, leaving_smarts_loc = leaving_smarts_loc)
+        return self
+        
+    def make_capped(self, allowed_smarts, capping_names = None, capping_smarts_loc = None):
+        """Build and name explicit hydrogens for atoms with implicit Hs by atom names and/or patterns."""
+        self.rdkit_mol = cap(self.rdkit_mol, allowed_smarts = allowed_smarts, 
+                             capping_names = capping_names, capping_smarts_loc = capping_smarts_loc)
+        return self
+        
+    def make_pretty_smiles(self):
+        """Build and name explicit hydrogens for atoms with implicit Hs by atom names and/or patterns."""
+        self.smiles_exh, self.atom_name = get_smiles_with_atom_names(self.rdkit_mol)
+        self.smiles_exh = get_pretty_smiles(self.smiles_exh)
+        return self
+
+    def make_link_labels_from_patterns(self, pattern_to_label_mapping = {}):
+        """Map patterns to link labels based on a given mapping."""
+        if not pattern_to_label_mapping:
+            return self
+
+        for pattern in pattern_to_label_mapping:
+            atom_idx = get_atom_idx_by_patterns(self.rdkit_mol, allowed_smarts = Chem.MolToSmarts(self.rdkit_mol), 
+                                                wanted_smarts_loc = {pattern: {0}})
+            atoms_in_mol = [atom for atom in self.rdkit_mol.GetAtoms()]
+            if not atom_idx:
+                logging.warning(f"Molecule doesn't contain pattern: {pattern} -> linker label for {pattern_to_label_mapping[pattern]} will not be made. ")
+            elif len(atom_idx) > 1:
+                logging.warning(f"Molecule contain multiple copies of pattern: {pattern} -> linker label for {pattern_to_label_mapping[pattern]} will not be made. ")
+            else:
+                atom_idx = next(iter(atom_idx))
+                name = atoms_in_mol[atom_idx].GetProp('atom_id')
+                self.link_labels.update({str(self.atom_name.index(name)): pattern_to_label_mapping[pattern]})
+
+        return self
+    
+    def make_link_labels_from_names(self, name_to_label_mapping = {}):
+        """Map atom names to link labels based on a given mapping."""
+        if not name_to_label_mapping:
+            return self
+
+        for atom in self.rdkit_mol.GetAtoms():
+            if atom.GetProp('atom_id') in name_to_label_mapping:
+                if atom.GetNumImplicitHs() > 0:
+                    name = atom.GetProp('atom_id')
+                    self.link_labels.update({str(self.atom_name.index(name)): name_to_label_mapping[name]})
+
+        return self
+    
+    def ResidueTemplate_check(self) -> bool:
+        # ResidueTemplate.check from linked_rdkit_chorizo
+        ps = Chem.SmilesParserParams()
+        ps.removeHs = False
+        mol = Chem.MolFromSmiles(self.smiles_exh, ps)
+        have_implicit_hs = {atom.GetIdx() for atom in mol.GetAtoms() if atom.GetTotalNumHs() > 0}
+
+        if self.link_labels and {int(atom_id) for atom_id in self.link_labels} != have_implicit_hs:
+            raise ValueError(
+                f"expected any atom with non-real Hs ({have_implicit_hs}) to be in {self.link_labels=}"
+            )
+        
+        if not self.atom_name: 
+            return
+        
+        if len(self.atom_name) != mol.GetNumAtoms():
+            raise ValueError(f"{len(self.atom_name)=} differs from {mol.GetNumAtoms()=}")
+        return
+
+
+# Export/Writer Function
+def export_chem_templates_to_json(cc_list: list[ChemicalComponent], json_fname: str=""):
+    """Export list of chem templates to json"""
+
+    basenames = [cc.parent for cc in cc_list]
+    ambiguous_dict = {basename: [] for basename in basenames}
+    for cc in cc_list:
+        if cc.resname not in ambiguous_dict[cc.parent]:
+            ambiguous_dict[cc.parent].append(cc.resname)
+
+    data_to_export = {"ambiguous": {basename: basename+".ambiguous" for basename in basenames}}
+
+    residue_templates = {}
+    for cc in cc_list:
+        residue_templates[cc.resname] = {
+            "smiles": cc.smiles_exh,
+            "atom_name": cc.resname+".atom_names",
+        }
+        if cc.link_labels:
+            residue_templates[cc.resname]["link_labels"] = cc.resname+".link_labels"
+        else:
+            residue_templates[cc.resname]["link_labels"] = {}
+
+    data_to_export.update({"residue_templates": residue_templates})
+
+    json_str = json.dumps(data_to_export, indent = 4)
+
+    # format ambiguous resnames to one line
+    for basename in data_to_export["ambiguous"]:
+        single_line_resnames = json.dumps(ambiguous_dict[basename], separators=(', ', ': '))
+        json_str = json_str.replace(json.dumps(data_to_export["ambiguous"][basename], indent = 4), single_line_resnames)
+
+    # format link_labels and atom_name to one line
+    for cc in cc_list:
+        single_line_atom_name = json.dumps(cc.atom_name, separators=(', ', ': '))
+        json_str = json_str.replace(json.dumps(data_to_export["residue_templates"][cc.resname]["atom_name"], indent = 4), single_line_atom_name)
+        if cc.link_labels:
+            single_line_link_labels = json.dumps(cc.link_labels, separators=(', ', ': '))
+            json_str = json_str.replace(json.dumps(data_to_export["residue_templates"][cc.resname]["link_labels"], indent = 4), single_line_link_labels)
+
+    if json_fname:
+        with open(pathlib.Path(json_fname), 'w') as f:
+            f.write(json_str)
+        print(f"{json_fname} <-- Json File for New Chemical Templates")
+    else:
+        print(" New Template Built ".center(60, "*"))
+        print(json_str)
+        print("*"*60)
+        return json_str
+
+
+def fetch_from_pdb(resname: str, max_retries = 5, backoff_factor = 2) -> str: 
+    url = f"https://files.rcsb.org/ligands/download/{resname}.cif"
+    file_path = f"{resname}.cif"
+    for retry in range(max_retries):
+        try:
+            with urllib.request.urlopen(url) as response:
+                content = response.read()
+            logging.info(f"File downloaded successfully: {file_path}")
+            with tempfile.NamedTemporaryFile(delete=False, suffix=".cif") as temp_file:
+                temp_file.write(content)
+                return temp_file.name 
+            
+        except Exception as e:
+            if retry < max_retries - 1: 
+                wait_time = backoff_factor ** retry  
+                logging.info(f"Download failed for {resname}. Error: {e}. Retrying in {wait_time} seconds...")
+                time.sleep(wait_time)
+            else:
+                err = f"Max retries reached. Could not download CIF file for {resname}. Error: {e}"
+                raise ChemTempCreationError(err)
+
+# Constants for deprotonate
+acidic_proton_loc_canonical = {
+        # any carboxylic acid, sulfuric/sulfonic acid/ester, phosphoric/phosphinic acid/ester
+        '[H][O]['+atom+'](=O)': 0 for atom in ('CX3', 'SX4', 'SX3', 'PX4', 'PX3')
+    } | {
+        # any thio carboxylic/sulfuric acid
+        '[H][O]['+atom+'](=S)': 0 for atom in ('CX3', 'SX4')
+    } | {
+        '[H][SX2][a]': 0, # thiophenol
+    }
+
+# Make free (noncovalent) CC
+def build_noncovalent_CC(basename: str) -> ChemicalComponent: 
+
+    with ChemicalComponent_LoggingControler(): 
+        cc_from_cif = ChemicalComponent.from_cif(fetch_from_pdb(basename), basename)
+        if cc_from_cif is None:
+            return None
+
+        cc = copy.deepcopy(cc_from_cif)
+        logger.info(f"*** using CCD ligand {basename} to construct residue {cc.resname} ***")
+
+        cc = cc.make_canonical(acidic_proton_loc = acidic_proton_loc_canonical)
+        if len(rdmolops.GetMolFrags(cc.rdkit_mol))>1:
+            err = f"Template Generation failed for {cc.resname}. Error: Molecule breaks into fragments during the deleterious editing. "
+            raise ChemTempCreationError(err)
+
+        cc = cc.make_pretty_smiles()
+
+        # Check
+        try:
+            cc.ResidueTemplate_check()
+        except Exception as e:
+            err = f"Template {cc.resname} Failed to pass ResidueTemplate check. Error: {e}"
+            raise ChemTempCreationError(err)
+            
+        logger.info(f"*** finish making {cc.resname} ***")
+    return cc
+
+
+# This is an Example to make standard NA templates
+def main(): 
+
+    # """Download components.cif"""
+    # import subprocess, sys
+    # result = subprocess.run(["curl", "https://files.wwpdb.org/pub/pdb/data/monomers/components.cif"], capture_output=True, text=True)
+    # if result.returncode != 0:
+    #    print(f"Unable to download components.cif from files.wwpdb.org")
+    #    sys.exit(2)
+
+    """Download components.cif"""
+    url = "https://files.wwpdb.org/pub/pdb/data/monomers/components.cif"
+    source_cif = file_path = "components.cif"
+
+    try:
+        urllib.request.urlretrieve(url, file_path)
+        logging.info(f"File downloaded successfully: {file_path}")
+    except Exception as e:
+        logging.error(f"Failed to download file. Error: {e}")
+
+    """Make chemical templates"""
+    basenames = ['A', 'U', 'C', 'G', 'DA', 'DT', 'DC', 'DG']
+    NA_ccs = []
+
+    acidic_proton_loc_canonical = {
+        # any carboxylic acid, sulfuric/sulfonic acid/ester, phosphoric/phosphinic acid/ester
+        '[H][O]['+atom+'](=O)': 0 for atom in ('CX3', 'SX4', 'SX3', 'PX4', 'PX3')
+    } | {
+        # any thio carboxylic/sulfuric acid
+        '[H][O]['+atom+'](=S)': 0 for atom in ('CX3', 'SX4')
+    } | {
+        '[H][SX2][a]': 0, # thiophenol
+    } 
+    embed_allowed_smarts = "[O][PX4](=O)([O])[OX2][CX4][CX4]1[OX2][CX4][CX4][CX4]1[OX2][H]"
+    cap_allowed_smarts = "[OX2][CX4][CX4]1[OX2][CX4][CX4][CX4]1[OX2]"
+    pattern_to_label_mapping_standard = {'[PX4h1]': '5-prime', '[O+0X2h1]': '3-prime'}
+
+    variant_recipe = {
+        # embedded nucleotide 
+        "":  ({"[O][PX4](=O)([O])[OX2][CX4]": {0} ,"[CX4]1[OX2][CX4][CX4][CX4]1[OX2][H]": {6}}, None), 
+        # 3' end nucleotide 
+        "3": ({"[O][PX4](=O)([O])[OX2][CX4]": {0}}, None), 
+        # 5' end nucleotide (extra phosphate than canonical X5)
+        "5p": ({"[CX4]1[OX2][CX4][CX4][CX4]1[OX2][H]": {6}}, None), 
+        # 5' end nucleoside (canonical X5 in Amber)
+        "5": ({"[O][PX4](=O)([O])[OX2][CX4]": {0,1,2,3}, "[CX4]1[OX2][CX4][CX4][CX4]1[OX2][H]": {6}}, {"[OX2][CX4][CX4]1[OX2][CX4][CX4][CX4]1[OX2]": {0}}), 
+    }
+
+    for basename in basenames:
+        for suffix in variant_recipe:
+            cc = ChemicalComponent.from_cif(source_cif, basename)
+            cc.resname += suffix
+            print(f"*** using CCD residue {basename} to construct {cc.resname} ***")
+
+            cc = (
+                cc
+                .make_canonical(acidic_proton_loc = acidic_proton_loc_canonical)
+                .make_embedded(allowed_smarts = embed_allowed_smarts, 
+                               leaving_smarts_loc = variant_recipe[suffix][0])
+                .make_capped(allowed_smarts = cap_allowed_smarts, 
+                             capping_smarts_loc = variant_recipe[suffix][1]) 
+                .make_pretty_smiles()
+                .make_link_labels_from_patterns(pattern_to_label_mapping = pattern_to_label_mapping_standard)
+                )
+
+            print(f"*** finish making {cc.resname} ***")
+            NA_ccs.append(cc)
+
+    """Export to one json file"""
+    export_chem_templates_to_json(NA_ccs, 'standard_NA_templates.json')
+
+
+if __name__ == '__main__':
+    main()
+
+
+# XXX read from prepared? enumerate in stepwise? all protonation state variants, alter charge and update smiles/idx
\ No newline at end of file
diff --git a/meeko/data/NAKB_templates.json b/meeko/data/NAKB_templates.json
index b13c3292..3586c509 100644
--- a/meeko/data/NAKB_templates.json
+++ b/meeko/data/NAKB_templates.json
@@ -133,7 +133,6 @@
         "0DA": ["0DA", "0DA3", "0DA5p", "0DA5"],
         "8GM": ["8GM", "8GM3", "8GM5p", "8GM5"],
         "DUZ": ["DUZ", "DUZ3", "DUZ5p", "DUZ5"],
-        "GTG": ["GTG"],
         "IU": ["IU", "IU3", "IU5p", "IU5"],
         "LCA": ["LCA", "LCA3", "LCA5p", "LCA5"],
         "SUR": ["SUR", "SUR3", "SUR5p", "SUR5"],
@@ -156,7 +155,6 @@
         "M3X": ["M3X", "M3X3", "M3X5p", "M3X5"],
         "M7M": ["M7M5p"],
         "MG1": ["MG1", "MG13", "MG15p", "MG15"],
-        "RIA": ["RIA"],
         "T64": ["T645p"],
         "UAR": ["UAR", "UAR3", "UAR5p", "UAR5"],
         "UFP": ["UFP", "UFP3", "UFP5p", "UFP5"],
@@ -172,7 +170,6 @@
         "EFG": ["EFG", "EFG3", "EFG5p", "EFG5"],
         "EW3": ["EW3", "EW33", "EW35p", "EW35"],
         "G48": ["G48", "G483", "G485p", "G485"],
-        "GTA": ["GTA"],
         "LV2": ["LV2", "LV23", "LV25p", "LV25"],
         "OHU": ["OHU", "OHU3", "OHU5p", "OHU5"],
         "PRN": ["PRN", "PRN3", "PRN5p", "PRN5"],
@@ -274,7 +271,6 @@
         "E1X": ["E1X", "E1X3", "E1X5p", "E1X5"],
         "EIX": ["EIX", "EIX3", "EIX5p", "EIX5"],
         "EWC": ["EWC", "EWC3", "EWC5p", "EWC5"],
-        "G3A": ["G3A"],
         "GCP": ["GCP5p"],
         "GRB": ["GRB", "GRB3", "GRB5p", "GRB5"],
         "HN0": ["HN0", "HN03", "HN05p", "HN05"],
@@ -375,7 +371,6 @@
         "GMU": ["GMU", "GMU3", "GMU5p", "GMU5"],
         "GMX": ["GMX", "GMX3", "GMX5p", "GMX5"],
         "GN7": ["GN7", "GN73", "GN75p", "GN75"],
-        "GP3": ["GP3"],
         "GSR": ["GSR", "GSR3", "GSR5p", "GSR5"],
         "GSS": ["GSS", "GSS3", "GSS5p", "GSS5"],
         "HEU": ["HEU", "HEU3", "HEU5p", "HEU5"],
@@ -3065,11 +3060,6 @@
             "atom_name": ["H31", "O5'", "C5'", "H5'", "H5'A", "C4'", "H4'", "O4'", "C1'", "H1'", "N1", "C2", "O2", "N3", "HN3", "C4", "O4", "C5", "C21", "O22", "N23", "HN23", "C24", "H24", "H24A", "C25", "C30", "H30", "C29", "H29", "C28", "H28", "C27", "H27", "C26", "H26", "C6", "H6", "C2'", "H2'", "H2'A", "C3'", "H3'", "O3'"],
             "link_labels": {"43": "3-prime"}
         },
-        "GTG": {
-            "smiles": "[H]OC1([H])C([H])(N2C([H])=NC3=C2N=C(N([H])[H])N([H])C3=O)OC([H])(C([H])([H])OP(=O)([O-])OP(=O)([O-])OP(=O)([O-])OC([H])([H])C2([H])OC([H])(N3C4=C(C(=O)N([H])C(N([H])[H])=N4)[N+](C([H])([H])[H])=C3[H])C([H])(O[H])C2([H])O[H])C1([H])O[H]",
-            "atom_name": ["H2BO", "O2E", "C2E", "H2B", "C1E", "H1B", "N9B", "C8B", "H8B", "N7B", "C5B", "C4B", "N3B", "C2B", "N2B", "H2B1", "H2B2", "N1B", "H1BN", "C6B", "O6B", "O4E", "C4E", "H4B", "C5E", "H5B1", "H5B2", "O5E", "PG", "O1G", "O2G", "O3B", "PB", "O1B", "O2B", "O3A", "PA", "O1A", "O2A", "O5D", "C5D", "H5'1", "H5'2", "C4D", "H4'", "O4D", "C1D", "H1'", "N9A", "C4A", "C5A", "C6A", "O6A", "N1A", "HN1", "C2A", "N2A", "HN21", "HN22", "N3A", "N7A", "C7X", "HC71", "HC72", "HC73", "C8A", "H8", "C2D", "H2'", "O2D", "HO2'", "C3D", "H3'", "O3D", "HO3'", "C3E", "H3B", "O3E", "H3BO"],
-            "link_labels": {}
-        },
         "IU": {
             "smiles": "[H]OC1([H])C([H])(N2C(=O)N([H])C(=O)C(I)=C2[H])OC([H])(C([H])([H])OP(=O)[O-])C1([H])O",
             "atom_name": ["HO2'", "O2'", "C2'", "H2'", "C1'", "H1'", "N1", "C2", "O2", "N3", "H3", "C4", "O4", "C5", "I5", "C6", "H6", "O4'", "C4'", "H4'", "C5'", "H5'", "H5''", "O5'", "P", "OP1", "OP3", "C3'", "H3'", "O3'"],
@@ -3490,11 +3480,6 @@
             "atom_name": ["H23", "O5'", "C5'", "H5'", "H5''", "C4'", "H4'", "O4'", "C1'", "H1'", "N9", "C8", "H8", "N7", "C5", "C4", "N3", "C2", "N2", "H21", "H22", "N1", "CM1", "HM11", "HM12", "HM13", "C6", "O6", "C2'", "H2'", "H2''", "C3'", "H3'", "O3'"],
             "link_labels": {"33": "3-prime"}
         },
-        "RIA": {
-            "smiles": "[H]OC1([H])C([H])(OC2([H])C([H])(N3C([H])=NC4=C3N=C([H])N=C4N([H])[H])OC([H])(C([H])([H])OP(=O)([O-])[O-])C2([H])O[H])OC([H])(C([H])([H])OP(=O)([O-])[O-])C1([H])O[H]",
-            "atom_name": ["HO2'", "O2'", "C2'", "H2'", "C1'", "H1'", "O2A", "C2A", "H2A", "C1A", "H1A", "N9", "C8", "H8", "N7", "C5", "C4", "N3", "C2", "H2", "N1", "C6", "N6", "HN61", "HN62", "O4'", "C4A", "H4A", "C5A", "H5'", "H5''", "O5A", "P", "OP1", "OP2", "OP3", "C3A", "H3A", "O3A", "HO3A", "O1'", "C4'", "H4'", "C5'", "H5'1", "H5'2", "O5'", "P'", "O1X", "O2X", "O3X", "C3'", "H3'", "O3'", "HO3'"],
-            "link_labels": {}
-        },
         "T645p": {
             "smiles": "[H]OC1(C([H])([H])[H])C(=O)N([H])C(=O)N2C3([H])OC([H])(C([H])([H])OP(=O)([O-])[O-])C([H])(OP(=O)([O-])OC([H])([H])C4([H])OC([H])(N5C(=O)N=C(C(C([H])([H])[H])=C5[H])C21[H])C([H])([H])C4([H])O)C3([H])[H]",
             "atom_name": ["HO4T", "O4T", "C5", "C5A", "H5A", "H5AA", "H5AB", "C4", "O4", "N3", "HN3", "C2", "O2", "N1", "C1'", "H1'", "O4'", "C4R", "H4R", "C5'", "H5'", "H5'A", "O5'", "P", "OP2", "OP3", "OP1", "C3R", "H3R", "O3R", "PB", "O4P", "O5P", "O5R", "C5R", "H5R", "H5RA", "C4'", "H4'", "O4R", "C1R", "H1R", "N1T", "C2T", "O2T", "N3T", "C4T", "C5T", "C5M", "H5M", "H5MA", "H5MB", "C6T", "H6T", "C6", "H6", "C2R", "H2R", "H2RA", "C3'", "H3'", "O3'", "C2'", "H2'", "H2'A"],
@@ -3780,11 +3765,6 @@
             "atom_name": ["H23", "O5'", "C5'", "H5'", "H5''", "C4'", "H4'", "O4'", "C1'", "H1'", "N9", "C8", "H8", "N7", "C5", "C4", "N3", "C2", "N2", "H21", "H22", "N1", "H1", "C6", "O6", "C2'", "H2'", "O2'", "CA'", "HCA2", "HCA1", "CB'", "HCB1", "HCB2", "OC'", "CD'", "HCD1", "HCD2", "HCD3", "C3'", "H3'", "O3'"],
             "link_labels": {"41": "3-prime"}
         },
-        "GTA": {
-            "smiles": "[H]OC1([H])C([H])(N2C([H])=NC3=C(N([H])[H])N=C([H])N=C32)OC([H])(C([H])([H])OP(=O)([O-])OP(=O)([O-])OP(=O)([O-])OC([H])([H])C2([H])OC([H])(N3C4=C(C(=O)N([H])C(N([H])[H])=N4)[N+](C([H])([H])[H])=C3[H])C([H])(O[H])C2([H])O[H])C1([H])O[H]",
-            "atom_name": ["HO2B", "O2B", "C2B", "H2B", "C1B", "H1B", "N9C", "C8C", "H8C", "N7C", "C5C", "C6C", "N6C", "HN61", "HN62", "N1C", "C2C", "H2C", "N3C", "C4C", "O4B", "C4B", "H4B", "C5B", "H5B1", "H5B2", "O33", "P3", "O31", "O32", "O23", "P2", "O21", "O22", "O13", "P1", "O11", "O12", "O15", "C5A", "H5A1", "H5A2", "C4A", "H4A", "O4A", "C1A", "H1A", "N9", "C4", "C5", "C6", "O6", "N1", "HN1", "C2", "N2", "HN21", "HN22", "N3", "N7", "C7", "H71", "H72", "H73", "C8", "H8", "C2A", "H2A", "O2A", "HO2A", "C3A", "H3A", "O3A", "HO3A", "C3B", "H3B", "O3B", "HO3B"],
-            "link_labels": {}
-        },
         "LV2": {
             "smiles": "[H]OC1([H])C([H])(N2C(=O)N=C(N(C([H])([H])[H])C([H])([H])[H])C([H])=C2[H])OC([H])(C([H])([H])OP(=O)[O-])C1([H])O",
             "atom_name": ["H8", "O2'", "C2'", "H7", "C1'", "H9", "N1", "C2", "O2", "N3", "C4", "N4", "CM4", "H12", "H13", "H14", "C1", "H16", "H17", "H18", "C5", "H10", "C6", "H11", "O4'", "C4'", "H5", "C5'", "H3", "H4", "O5'", "P", "OP1", "OP3", "C3'", "H6", "O3'"],
@@ -5795,11 +5775,6 @@
             "atom_name": ["H13", "O5'", "C5'", "H2", "H3", "C4'", "H4", "O4'", "C1'", "H8", "N9", "C8", "O23", "N7", "H9", "C5", "O24", "C4", "C6", "O6", "N1", "C2", "N2", "H11", "H12", "N3", "H10", "C2'", "H6", "H7", "C3'", "H5", "O3'"],
             "link_labels": {"32": "3-prime"}
         },
-        "G3A": {
-            "smiles": "[H]OC1([H])C([H])(N2C([H])=NC3=C2N=C(N([H])[H])N([H])C3=O)OC([H])(C([H])([H])OP(=O)([O-])OP(=O)([O-])OP(=O)([O-])OC([H])([H])C2([H])OC([H])(N3C([H])=NC4=C3N=C([H])N=C4N([H])[H])C([H])(O[H])C2([H])O[H])C1([H])O[H]",
-            "atom_name": ["HO42", "O42", "C42", "H42", "C41", "H41", "N39", "C38", "H38", "N37", "C35", "C34", "N33", "C32", "N32", "H321", "H322", "N31", "HN31", "C36", "O36", "O44", "C44", "H44", "C45", "H451", "H452", "O45", "PA", "O2A", "O1A", "O1", "PB", "O3B", "O2B", "O3A", "PG", "O1G", "O2G", "O25", "C25", "H251", "H252", "C24", "H24", "O24", "C21", "H21", "N19", "C18", "H18", "N17", "C15", "C14", "N13", "C12", "H12", "N11", "C16", "N16", "H161", "H162", "C22", "H22", "O22", "HO22", "C23", "H23", "O23", "HO23", "C43", "H43", "O43", "HO43"],
-            "link_labels": {}
-        },
         "GCP5p": {
             "smiles": "[H]OC1([H])C([H])(N2C([H])=NC3=C2N=C(N([H])[H])N([H])C3=O)OC([H])(C([H])([H])OP(=O)([O-])OP(=O)([O-])C([H])([H])P(=O)([O-])[O-])C1([H])O",
             "atom_name": ["HO2'", "O2'", "C2'", "H2'", "C1'", "H1'", "N9", "C8", "H8", "N7", "C5", "C4", "N3", "C2", "N2", "HN21", "HN22", "N1", "HN1", "C6", "O6", "O4'", "C4'", "H4'", "C5'", "H5'2", "H5'1", "O5'", "PA", "O1A", "O2A", "O3A", "PB", "O1B", "O2B", "C3B", "H3B1", "H3B2", "PG", "O1G", "O2G", "O3G", "C3'", "H3'", "O3'"],
@@ -7750,11 +7725,6 @@
             "atom_name": ["H9", "O5'", "C5'", "H5'", "H5''", "C4'", "H4'", "O4'", "C1'", "H1'", "N7", "C8", "H8", "N9", "C4", "C5", "C6", "O6", "N1", "HN1", "C2", "N2", "HN21", "HN22", "N3", "C2'", "H2'", "H2''", "C3'", "H3'", "O3'"],
             "link_labels": {"30": "3-prime"}
         },
-        "GP3": {
-            "smiles": "[H]OC1([H])C([H])(N2C([H])=NC3=C2N=C(N([H])[H])N([H])C3=O)OC([H])(C([H])([H])OP(=O)([O-])OP(=O)([O-])OP(=O)([O-])OC([H])([H])C2([H])OC([H])(N3C([H])=NC4=C3N=C(N([H])[H])N([H])C4=O)C([H])(O[H])C2([H])O[H])C1([H])O[H]",
-            "atom_name": ["HO2A", "O2D", "C2D", "H2D", "C1D", "H1D", "N9A", "C8A", "H8A", "N7A", "C5A", "C4A", "N3A", "C2A", "N2A", "H21A", "H22A", "N1A", "H1A", "C6A", "O6A", "O4D", "C4D", "H4D", "C5D", "H51A", "H52A", "O5D", "PA", "O1A", "O2A", "O3A", "PB", "O1B", "O2B", "O3B", "PG", "O1G", "O2G", "O5E", "C5E", "H51B", "H52B", "C4E", "H4E", "O4E", "C1E", "H1E", "N9B", "C8B", "H8B", "N7B", "C5B", "C4B", "N3B", "C2B", "N2B", "H21B", "H22B", "N1B", "H1B", "C6B", "O6B", "C2E", "H2E", "O2E", "HO2B", "C3E", "H3E", "O3E", "HO3B", "C3D", "H3D", "O3D", "HO3A"],
-            "link_labels": {}
-        },
         "GSR": {
             "smiles": "[H]OC([H])([H])C([H])(C1=C([H])C([H])=C([H])C([H])=C1[H])N([H])C1=NC2=C(N=C([H])N2C2([H])OC([H])(C([H])([H])OP(=O)[O-])C([H])(O)C2([H])[H])C(=O)N1[H]",
             "atom_name": ["HB", "OB", "CB", "HB1", "HB2", "CA", "HA", "CJ", "CO", "HO", "CM", "HM", "CP", "HP", "CM'", "HM'", "CO'", "HO'", "N2", "H2", "C2", "N3", "C4", "C5", "N7", "C8", "H8", "N9", "C1'", "H1'", "O4'", "C4'", "H4'", "C5'", "H5'", "H5''", "O5'", "P", "OP1", "OP3", "C3'", "H3'", "O3'", "C2'", "H2'", "H2''", "C6", "O6", "N1", "H1"],

From 80d12f8cf13367815337145845739446a592e165 Mon Sep 17 00:00:00 2001
From: Amy He <ayhe1768@gmail.com>
Date: Fri, 18 Oct 2024 20:06:19 -0700
Subject: [PATCH 092/166] skip chemtempgen

---
 meeko/chemtempgen.py | 658 -------------------------------------------
 1 file changed, 658 deletions(-)
 delete mode 100644 meeko/chemtempgen.py

diff --git a/meeko/chemtempgen.py b/meeko/chemtempgen.py
deleted file mode 100644
index e3caa9d8..00000000
--- a/meeko/chemtempgen.py
+++ /dev/null
@@ -1,658 +0,0 @@
-import gemmi
-import json
-import pathlib
-import copy
-import urllib.request
-import time
-import tempfile
-import re
-
-from rdkit import Chem
-from rdkit.Chem import rdmolops
-
-from rdkit import RDLogger
-logger = RDLogger.logger()
-logger.setLevel(RDLogger.CRITICAL)
-import sys, logging
-logging.basicConfig(stream=sys.stdout, level=logging.WARNING)
-
-
-# Constants from linked_rdkit_chorizo
-covalent_radius = {  # from wikipedia
-        1: 0.31,
-        5: 0.84,
-        6: 0.76,
-        7: 0.71,
-        8: 0.66,
-        9: 0.57,
-        12: 0.00,  # hack to avoid bonds with metals
-        14: 1.11,
-        15: 1.07,
-        16: 1.05,
-        17: 1.02,
-        # 19: 2.03,
-        20: 0.00,
-        # 24: 1.39,
-        25: 0.00,  # hack to avoid bonds with metals
-        26: 0.00,
-        30: 0.00,  # hack to avoid bonds with metals
-        # 34: 1.20,
-        35: 1.20,
-        53: 1.39,
-    }
-list_of_AD_elements_as_AtomicNum = list(covalent_radius.keys())
-
-# Utility Functions
-def mol_contains_unexpected_element(mol: Chem.Mol, allowed_elements: list[str] = list_of_AD_elements_as_AtomicNum) -> bool:
-    """Check if mol contains unexpected elements"""
-    for atom in mol.GetAtoms():
-        if atom.GetAtomicNum() not in allowed_elements:
-            return True
-    return False
-
-
-def get_atom_idx_by_names(mol: Chem.Mol, wanted_names: set[str] = set()) -> set[int]:
-    
-    if not wanted_names:
-        return set()
-    
-    wanted_atoms_by_names = {atom for atom in mol.GetAtoms() if atom.GetProp('atom_id') in wanted_names}
-    names_not_found = wanted_names.difference({atom.GetProp('atom_id') for atom in wanted_atoms_by_names})
-    if names_not_found: 
-        logging.warning(f"Molecule doesn't contain the requested atoms with names: {names_not_found} -> continue with found names... ")
-    return {atom.GetIdx() for atom in wanted_atoms_by_names}
-
-
-def get_atom_idx_by_patterns(mol: Chem.Mol, allowed_smarts: str, 
-                             wanted_smarts_loc: dict[str, set[int]] = None,
-                             allow_multiple: bool=False) -> set[int]:
-    
-    if wanted_smarts_loc is None:
-        return set()
-    
-    wanted_atoms_idx = set()
-    
-    tmol = Chem.MolFromSmarts(allowed_smarts)
-    match_allowed = mol.GetSubstructMatches(tmol)
-    if not match_allowed:
-        logging.warning(f"Molecule doesn't contain allowed_smarts: {allowed_smarts} -> no pattern-based action will be made. ")
-        return set()
-    if len(match_allowed) > 1 and not allow_multiple: 
-        logging.warning(f"Molecule contain multiple copies of allowed_smarts: {allowed_smarts} -> no pattern-based action will be made. ")
-        return set()
-    if len(match_allowed) > 1 and allow_multiple:
-        match_allowed = {item for sublist in match_allowed for item in sublist}
-    else:
-        match_allowed = match_allowed[0]
-    
-    atoms_in_mol = [atom for atom in mol.GetAtoms()]
-    for wanted_smarts in wanted_smarts_loc: 
-        lmol = Chem.MolFromSmarts(wanted_smarts)
-        match_wanted = mol.GetSubstructMatches(lmol)
-        if not match_wanted:
-            logging.warning(f"Molecule doesn't contain wanted_smarts: {wanted_smarts} -> continue with next pattern... ")
-            continue
-        for match_copy in match_wanted:
-            match_in_copy = (idx for idx in match_copy if match_copy.index(idx) in wanted_smarts_loc[wanted_smarts])
-            match_wanted_atoms = {atoms_in_mol[idx] for idx in match_in_copy if idx in match_allowed}
-            if match_wanted_atoms: 
-                wanted_atoms_idx.update(atom.GetIdx() for atom in match_wanted_atoms)
-    
-    return wanted_atoms_idx
-
-
-# Mol Editing Functions
-def embed(mol: Chem.Mol, allowed_smarts: str, 
-          leaving_names: set[str] = None, leaving_smarts_loc: dict[str, set[int]] = None, 
-          alsoHs: bool = True) -> Chem.Mol:
-    """
-    Remove atoms from the molecule based the union of
-    (a) leaving_names: list of atom IDs (names), and
-    (b) leaving_smarts_loc: dict to map substructure SMARTS patterns with 
-    tuple of 0-based indicies for atoms to delete (restricted by allowed_smarts)
-    """
-    if leaving_names is None and leaving_smarts_loc is None:
-        return mol
-
-    leaving_atoms_idx = set()
-
-    if leaving_names:
-        leaving_atoms_idx.update(get_atom_idx_by_names(mol, leaving_names))
-
-    if leaving_smarts_loc:
-        leaving_atoms_idx.update(get_atom_idx_by_patterns(mol, allowed_smarts, leaving_smarts_loc))
-
-    if leaving_atoms_idx and alsoHs:
-        atoms_in_mol = [atom for atom in mol.GetAtoms()]
-        leaving_Hs = (ne for atom_idx in leaving_atoms_idx for ne in atoms_in_mol[atom_idx].GetNeighbors() if ne.GetAtomicNum() == 1)
-        leaving_atoms_idx.update(atom.GetIdx() for atom in leaving_Hs)
-
-    if not leaving_atoms_idx:
-        logging.warning(f"No matched atoms to delete -> embed returning original mol...")
-        return mol
-    
-    rwmol = Chem.RWMol(mol)
-    for atom_idx in sorted(leaving_atoms_idx, reverse=True): 
-        rwmol.RemoveAtom(atom_idx)
-    rwmol.UpdatePropertyCache()
-    return rwmol.GetMol()
-
-
-def cap(mol: Chem.Mol, allowed_smarts: str, 
-        capping_names: set[str] = None, capping_smarts_loc: dict[str, set[int]] = None) -> Chem.Mol:
-    """Add hydrogens to atoms with implicit hydrogens based on the union of
-    (a) capping_names: list of atom IDs (names), and
-    (b) capping_smarts_loc: dict to map substructure SMARTS patterns with 
-    tuple of 0-based indicies for atoms."""
-   
-    if capping_names is None and capping_smarts_loc is None:
-        return mol
-    
-    capping_atoms_idx = set()
-    
-    if capping_names:
-        capping_atoms_idx.update(get_atom_idx_by_names(mol, capping_names))
-
-    if capping_smarts_loc:
-        capping_atoms_idx.update(get_atom_idx_by_patterns(mol, allowed_smarts, capping_smarts_loc, allow_multiple = True))
-
-    if not capping_atoms_idx:
-        logging.warning(f"No matched atoms to cap -> cap returning original mol...")
-        return mol
-    
-    def get_max_Hid(mol: Chem.Mol) -> int:
-        all_Hids = (atom.GetProp('atom_id') for atom in mol.GetAtoms() if atom.GetAtomicNum()==1)
-        regular_ids = {Hid for Hid in all_Hids if Hid[0]=='H' and Hid[1:].isdigit()}
-        if len(regular_ids) > 0:
-            return max(int(x[1:]) for x in regular_ids)
-        else:
-            return 0
-    
-    rwmol = Chem.RWMol(mol)
-    new_Hid = get_max_Hid(mol) + 1
-    atoms_in_mol = [atom for atom in mol.GetAtoms()]
-    for atom_idx in capping_atoms_idx:
-        needed_Hs = atoms_in_mol[atom_idx].GetNumImplicitHs()
-        if needed_Hs == 0:
-            logging.warning(f"Atom # {atom_idx} ({atoms_in_mol[atom_idx].GetProp('atom_id')}) in mol doesn't have implicit Hs -> continue with next atom... ")
-        else:
-            new_atom = Chem.Atom("H")
-            new_atom.SetProp('atom_id', f"H{new_Hid}")
-            new_Hid += 1
-            new_idx = rwmol.AddAtom(new_atom)
-            rwmol.AddBond(atom_idx, new_idx, Chem.BondType.SINGLE)
-    rwmol.UpdatePropertyCache()
-    return rwmol.GetMol()
-
-
-def deprotonate(mol, acidic_proton_loc: dict[str, int] = None) -> Chem.Mol:
-    """Remove acidic protons from the molecule based on acidic_proton_loc"""
-    # acidic_proton_loc is a mapping 
-    # keys: smarts pattern of a fragment
-    # value: the index (order in smarts) of the leaving proton
-
-    if acidic_proton_loc is None:
-        return mol
-
-    # deprotonate all matched protons
-    acidic_protons_idx = set()
-    for smarts_pattern, idx in acidic_proton_loc.items():
-        qmol = Chem.MolFromSmarts(smarts_pattern)
-        acidic_protons_idx.update(match[idx] for match in mol.GetSubstructMatches(qmol))
-    
-    if not acidic_protons_idx:
-        logging.warning(f"Molecule doesn't contain matching atoms for acidic_proton_loc:" + 
-                        f"{acidic_proton_loc}" + 
-                        f"-> deprotonate returning original mol... ")
-        return mol
-    
-    rwmol = Chem.RWMol(mol)
-    for atom_idx in sorted(acidic_protons_idx, reverse=True):
-        rwmol.RemoveAtom(atom_idx)
-        neighbors = mol.GetAtomWithIdx(atom_idx).GetNeighbors()
-        if neighbors:
-            neighbor_atom = rwmol.GetAtomWithIdx(neighbors[0].GetIdx())
-            neighbor_atom.SetFormalCharge(neighbor_atom.GetFormalCharge() - 1)
-    
-    rwmol.UpdatePropertyCache()
-    return rwmol.GetMol()
-
-
-# Attribute Formatters
-def get_smiles_with_atom_names(mol: Chem.Mol) -> tuple[str, list[str]]:
-    """Generate SMILES with atom names in the order of SMILES output."""
-    # allHsExplicit may expose the implicit Hs of linker atoms to Smiles; the implicit Hs don't have names
-    smiles_exh = Chem.MolToSmiles(mol, allHsExplicit=True)
-
-    smiles_atom_output_order = mol.GetProp('_smilesAtomOutputOrder')
-    delimiters = ('[', ']', ',')
-    for delimiter in delimiters:
-        smiles_atom_output_order = smiles_atom_output_order.replace(delimiter, ' ')
-    smiles_output_order = (int(x) for x in smiles_atom_output_order.split())
-
-    atom_id_dict = {atom.GetIdx(): atom.GetProp('atom_id') for atom in mol.GetAtoms()}
-    atom_name = [atom_id_dict[atom_i] for atom_i in smiles_output_order]
-
-    return smiles_exh, atom_name
-
-
-def get_pretty_smiles(smi: str) -> str: 
-    """Convert Smiles with allHsExplicit to pretty Smiles to be put on chem templates"""
-    # collect the inside square brackets contents
-    contents = set(re.findall(r'\[([^\]]+)\]', smi))
-
-    def is_chemical_element(symbol: str) -> bool:
-        """Check if a string represents a valid chemical element."""
-        try:
-            return Chem.GetPeriodicTable().GetAtomicNumber(symbol) > 0
-        # rdkit throws RuntimeError if invalid
-        except RuntimeError:
-            return False
-
-    for content in contents:
-        # keep [H] for explicit Hs
-        if content == 'H': 
-            continue
-        # drop H in the content to hide implicit Hs
-        H_stripped = content.split('H')[0]
-        # drop [ ] if the content is an uncharged element symbol
-        if is_chemical_element(content) or is_chemical_element(H_stripped):
-            smi = smi.replace(f"[{content}]", f"{H_stripped}" if 'H' in content else f"{content}")
-    return smi
-
-
-class ChemTempCreationError(Exception):
-    def __init__(self, message):
-        super().__init__(message)
-
-
-class ChemicalComponent_LoggingControler:
-
-    def __init__(self):
-        self.logger = logging.getLogger('ChemicalComponent')
-        self.original_level = self.logger.level
-        self.rdkit_logger = RDLogger.logger()
-        self.default_rdkit_level = RDLogger.WARNING
-
-    def __enter__(self):
-        self.rdkit_logger.setLevel(RDLogger.CRITICAL)
-        self.logger.setLevel(logging.WARNING)
-        handler = logging.StreamHandler(sys.stdout)
-        self.logger.addHandler(handler)
-        return self
-    
-    def __exit__(self, exc_type, exc_value, traceback):
-        self.rdkit_logger.setLevel(self.default_rdkit_level)
-        self.logger.setLevel(self.original_level)
-        for handler in self.logger.handlers:
-            self.logger.removeHandler(handler)
-
-
-class ChemicalComponent:
-
-    def __init__(self, rdkit_mol: Chem.Mol, resname: str, smiles_exh: str, atom_name: list[str]):
-        self.rdkit_mol = rdkit_mol
-        self.resname = resname
-        self.parent = resname # default parent to itself
-        self.smiles_exh = smiles_exh
-        self.atom_name = atom_name
-        self.link_labels = {} # default to empty dict (free molecular form)
-
-    def __eq__(self, other):
-        if isinstance(other, ChemicalComponent):
-            return self.smiles_exh == other.smiles_exh and self.atom_name == other.atom_name
-        return False
-
-    @classmethod
-    def from_cif(cls, source_cif: str, resname: str):
-        """Create ChemicalComponent from a chemical component dict file and a searchable residue name in file."""
-        
-        # Locate block by resname
-        doc = gemmi.cif.read(source_cif)
-        block = doc.find_block(resname)
-        
-        # Populate atom table
-        atom_category = '_chem_comp_atom.'
-        atom_attributes = ['atom_id', # atom names
-                           'type_symbol', # atom elements
-                           'charge', # (atomic) formal charges
-                           'pdbx_leaving_atom_flag', # flags for leaving atoms after polymerization
-                           ]
-        atom_table = block.find(atom_category, atom_attributes)
-        atom_cols = {attr: atom_table.find_column(f"{atom_category}{attr}") for attr in atom_attributes}
-
-        # Summon rdkit atoms into empty RWMol
-        rwmol = Chem.RWMol()
-        atom_elements = atom_cols['type_symbol']
-
-        for idx, element in enumerate(atom_elements):
-            if len(element)==2:
-                element = element[0] + element[1].lower()
-            rdkit_atom = Chem.Atom(element)
-            for attr in atom_attributes:
-                rdkit_atom.SetProp(attr, atom_cols[attr][idx])
-                # strip double quotes in names
-                raw_name = rdkit_atom.GetProp('atom_id')
-                rdkit_atom.SetProp('atom_id', raw_name.strip('"'))
-            target_charge = atom_cols['charge'][idx]
-            if target_charge!='0':
-                rdkit_atom.SetFormalCharge(int(target_charge)) # this needs to be int for rdkit
-            rwmol.AddAtom(rdkit_atom)
-
-        # Check if rwmol contains unexpected elements
-        if mol_contains_unexpected_element(rwmol):
-            logging.warning(f"Molecule contains unexpected elements -> template for {resname} will be None. ")
-            return None
-
-        # Map atom_id (atom names) with rdkit idx
-        name_to_idx_mapping = {atom.GetProp('atom_id'): idx for (idx, atom) in enumerate(rwmol.GetAtoms())}
-
-        # Populate bond table
-        bond_category = '_chem_comp_bond.'
-        bond_attributes = ['atom_id_1', # atom name 1
-                           'atom_id_2', # atom name 2
-                           'value_order', # bond order
-                           ]
-        bond_table = block.find(bond_category, bond_attributes)
-        bond_cols = {attr: bond_table.find_column(f"{bond_category}{attr}") for attr in bond_attributes}
-
-        # Connect atoms by bonds
-        bond_type_mapping = {
-            'SING': Chem.BondType.SINGLE,
-            'DOUB': Chem.BondType.DOUBLE,
-            'TRIP': Chem.BondType.TRIPLE,
-            'AROM': Chem.BondType.AROMATIC
-        }
-        bond_types = bond_cols['value_order']
-
-        for bond_i, bond_type in enumerate(bond_types):
-            rwmol.AddBond(name_to_idx_mapping[bond_cols['atom_id_1'][bond_i].strip('"')], 
-                          name_to_idx_mapping[bond_cols['atom_id_2'][bond_i].strip('"')], 
-                          bond_type_mapping.get(bond_type, Chem.BondType.UNSPECIFIED))
-
-        # Finish eidting mol 
-        try:    
-            rwmol.UpdatePropertyCache()
-        except Exception as e:
-            logging.error(f"Failed to create rdkitmol from cif. Error: {e} -> template for {resname} will be None. ")
-            return None
-        
-        # Check implicit Hs
-        total_implicit_hydrogens = sum(atom.GetNumImplicitHs() for atom in rwmol.GetAtoms())
-        if total_implicit_hydrogens > 0:
-            logging.error(f"rdkitmol from cif has implicit hydrogens. -> template for {resname} will be None. ")
-            return None
-
-        rdkit_mol = rwmol.GetMol()
-            
-        # Get Smiles with explicit Hs and ordered atom names
-        smiles_exh, atom_name = get_smiles_with_atom_names(rdkit_mol)
-        
-        return cls(rdkit_mol, resname, smiles_exh, atom_name)
-
-
-    def make_canonical(self, acidic_proton_loc):
-        """Deprotonate acidic groups til the canonical (most deprotonated) state."""
-        self.rdkit_mol = deprotonate(self.rdkit_mol, acidic_proton_loc = acidic_proton_loc)
-        return self
-
-    def make_embedded(self, allowed_smarts, leaving_names = None, leaving_smarts_loc = None):
-        """Remove leaving atoms from the molecule by atom names and/or patterns."""
-        self.rdkit_mol = embed(self.rdkit_mol, allowed_smarts = allowed_smarts, 
-                               leaving_names = leaving_names, leaving_smarts_loc = leaving_smarts_loc)
-        return self
-        
-    def make_capped(self, allowed_smarts, capping_names = None, capping_smarts_loc = None):
-        """Build and name explicit hydrogens for atoms with implicit Hs by atom names and/or patterns."""
-        self.rdkit_mol = cap(self.rdkit_mol, allowed_smarts = allowed_smarts, 
-                             capping_names = capping_names, capping_smarts_loc = capping_smarts_loc)
-        return self
-        
-    def make_pretty_smiles(self):
-        """Build and name explicit hydrogens for atoms with implicit Hs by atom names and/or patterns."""
-        self.smiles_exh, self.atom_name = get_smiles_with_atom_names(self.rdkit_mol)
-        self.smiles_exh = get_pretty_smiles(self.smiles_exh)
-        return self
-
-    def make_link_labels_from_patterns(self, pattern_to_label_mapping = {}):
-        """Map patterns to link labels based on a given mapping."""
-        if not pattern_to_label_mapping:
-            return self
-
-        for pattern in pattern_to_label_mapping:
-            atom_idx = get_atom_idx_by_patterns(self.rdkit_mol, allowed_smarts = Chem.MolToSmarts(self.rdkit_mol), 
-                                                wanted_smarts_loc = {pattern: {0}})
-            atoms_in_mol = [atom for atom in self.rdkit_mol.GetAtoms()]
-            if not atom_idx:
-                logging.warning(f"Molecule doesn't contain pattern: {pattern} -> linker label for {pattern_to_label_mapping[pattern]} will not be made. ")
-            elif len(atom_idx) > 1:
-                logging.warning(f"Molecule contain multiple copies of pattern: {pattern} -> linker label for {pattern_to_label_mapping[pattern]} will not be made. ")
-            else:
-                atom_idx = next(iter(atom_idx))
-                name = atoms_in_mol[atom_idx].GetProp('atom_id')
-                self.link_labels.update({str(self.atom_name.index(name)): pattern_to_label_mapping[pattern]})
-
-        return self
-    
-    def make_link_labels_from_names(self, name_to_label_mapping = {}):
-        """Map atom names to link labels based on a given mapping."""
-        if not name_to_label_mapping:
-            return self
-
-        for atom in self.rdkit_mol.GetAtoms():
-            if atom.GetProp('atom_id') in name_to_label_mapping:
-                if atom.GetNumImplicitHs() > 0:
-                    name = atom.GetProp('atom_id')
-                    self.link_labels.update({str(self.atom_name.index(name)): name_to_label_mapping[name]})
-
-        return self
-    
-    def ResidueTemplate_check(self) -> bool:
-        # ResidueTemplate.check from linked_rdkit_chorizo
-        ps = Chem.SmilesParserParams()
-        ps.removeHs = False
-        mol = Chem.MolFromSmiles(self.smiles_exh, ps)
-        have_implicit_hs = {atom.GetIdx() for atom in mol.GetAtoms() if atom.GetTotalNumHs() > 0}
-
-        if self.link_labels and {int(atom_id) for atom_id in self.link_labels} != have_implicit_hs:
-            raise ValueError(
-                f"expected any atom with non-real Hs ({have_implicit_hs}) to be in {self.link_labels=}"
-            )
-        
-        if not self.atom_name: 
-            return
-        
-        if len(self.atom_name) != mol.GetNumAtoms():
-            raise ValueError(f"{len(self.atom_name)=} differs from {mol.GetNumAtoms()=}")
-        return
-
-
-# Export/Writer Function
-def export_chem_templates_to_json(cc_list: list[ChemicalComponent], json_fname: str=""):
-    """Export list of chem templates to json"""
-
-    basenames = [cc.parent for cc in cc_list]
-    ambiguous_dict = {basename: [] for basename in basenames}
-    for cc in cc_list:
-        if cc.resname not in ambiguous_dict[cc.parent]:
-            ambiguous_dict[cc.parent].append(cc.resname)
-
-    data_to_export = {"ambiguous": {basename: basename+".ambiguous" for basename in basenames}}
-
-    residue_templates = {}
-    for cc in cc_list:
-        residue_templates[cc.resname] = {
-            "smiles": cc.smiles_exh,
-            "atom_name": cc.resname+".atom_names",
-        }
-        if cc.link_labels:
-            residue_templates[cc.resname]["link_labels"] = cc.resname+".link_labels"
-        else:
-            residue_templates[cc.resname]["link_labels"] = {}
-
-    data_to_export.update({"residue_templates": residue_templates})
-
-    json_str = json.dumps(data_to_export, indent = 4)
-
-    # format ambiguous resnames to one line
-    for basename in data_to_export["ambiguous"]:
-        single_line_resnames = json.dumps(ambiguous_dict[basename], separators=(', ', ': '))
-        json_str = json_str.replace(json.dumps(data_to_export["ambiguous"][basename], indent = 4), single_line_resnames)
-
-    # format link_labels and atom_name to one line
-    for cc in cc_list:
-        single_line_atom_name = json.dumps(cc.atom_name, separators=(', ', ': '))
-        json_str = json_str.replace(json.dumps(data_to_export["residue_templates"][cc.resname]["atom_name"], indent = 4), single_line_atom_name)
-        if cc.link_labels:
-            single_line_link_labels = json.dumps(cc.link_labels, separators=(', ', ': '))
-            json_str = json_str.replace(json.dumps(data_to_export["residue_templates"][cc.resname]["link_labels"], indent = 4), single_line_link_labels)
-
-    if json_fname:
-        with open(pathlib.Path(json_fname), 'w') as f:
-            f.write(json_str)
-        print(f"{json_fname} <-- Json File for New Chemical Templates")
-    else:
-        print(" New Template Built ".center(60, "*"))
-        print(json_str)
-        print("*"*60)
-        return json_str
-
-
-def fetch_from_pdb(resname: str, max_retries = 5, backoff_factor = 2) -> str: 
-    url = f"https://files.rcsb.org/ligands/download/{resname}.cif"
-    file_path = f"{resname}.cif"
-    for retry in range(max_retries):
-        try:
-            with urllib.request.urlopen(url) as response:
-                content = response.read()
-            logging.info(f"File downloaded successfully: {file_path}")
-            with tempfile.NamedTemporaryFile(delete=False, suffix=".cif") as temp_file:
-                temp_file.write(content)
-                return temp_file.name 
-            
-        except Exception as e:
-            if retry < max_retries - 1: 
-                wait_time = backoff_factor ** retry  
-                logging.info(f"Download failed for {resname}. Error: {e}. Retrying in {wait_time} seconds...")
-                time.sleep(wait_time)
-            else:
-                err = f"Max retries reached. Could not download CIF file for {resname}. Error: {e}"
-                raise ChemTempCreationError(err)
-
-# Constants for deprotonate
-acidic_proton_loc_canonical = {
-        # any carboxylic acid, sulfuric/sulfonic acid/ester, phosphoric/phosphinic acid/ester
-        '[H][O]['+atom+'](=O)': 0 for atom in ('CX3', 'SX4', 'SX3', 'PX4', 'PX3')
-    } | {
-        # any thio carboxylic/sulfuric acid
-        '[H][O]['+atom+'](=S)': 0 for atom in ('CX3', 'SX4')
-    } | {
-        '[H][SX2][a]': 0, # thiophenol
-    }
-
-# Make free (noncovalent) CC
-def build_noncovalent_CC(basename: str) -> ChemicalComponent: 
-
-    with ChemicalComponent_LoggingControler(): 
-        cc_from_cif = ChemicalComponent.from_cif(fetch_from_pdb(basename), basename)
-        if cc_from_cif is None:
-            return None
-
-        cc = copy.deepcopy(cc_from_cif)
-        logger.info(f"*** using CCD ligand {basename} to construct residue {cc.resname} ***")
-
-        cc = cc.make_canonical(acidic_proton_loc = acidic_proton_loc_canonical)
-        if len(rdmolops.GetMolFrags(cc.rdkit_mol))>1:
-            err = f"Template Generation failed for {cc.resname}. Error: Molecule breaks into fragments during the deleterious editing. "
-            raise ChemTempCreationError(err)
-
-        cc = cc.make_pretty_smiles()
-
-        # Check
-        try:
-            cc.ResidueTemplate_check()
-        except Exception as e:
-            err = f"Template {cc.resname} Failed to pass ResidueTemplate check. Error: {e}"
-            raise ChemTempCreationError(err)
-            
-        logger.info(f"*** finish making {cc.resname} ***")
-    return cc
-
-
-# This is an Example to make standard NA templates
-def main(): 
-
-    # """Download components.cif"""
-    # import subprocess, sys
-    # result = subprocess.run(["curl", "https://files.wwpdb.org/pub/pdb/data/monomers/components.cif"], capture_output=True, text=True)
-    # if result.returncode != 0:
-    #    print(f"Unable to download components.cif from files.wwpdb.org")
-    #    sys.exit(2)
-
-    """Download components.cif"""
-    url = "https://files.wwpdb.org/pub/pdb/data/monomers/components.cif"
-    source_cif = file_path = "components.cif"
-
-    try:
-        urllib.request.urlretrieve(url, file_path)
-        logging.info(f"File downloaded successfully: {file_path}")
-    except Exception as e:
-        logging.error(f"Failed to download file. Error: {e}")
-
-    """Make chemical templates"""
-    basenames = ['A', 'U', 'C', 'G', 'DA', 'DT', 'DC', 'DG']
-    NA_ccs = []
-
-    acidic_proton_loc_canonical = {
-        # any carboxylic acid, sulfuric/sulfonic acid/ester, phosphoric/phosphinic acid/ester
-        '[H][O]['+atom+'](=O)': 0 for atom in ('CX3', 'SX4', 'SX3', 'PX4', 'PX3')
-    } | {
-        # any thio carboxylic/sulfuric acid
-        '[H][O]['+atom+'](=S)': 0 for atom in ('CX3', 'SX4')
-    } | {
-        '[H][SX2][a]': 0, # thiophenol
-    } 
-    embed_allowed_smarts = "[O][PX4](=O)([O])[OX2][CX4][CX4]1[OX2][CX4][CX4][CX4]1[OX2][H]"
-    cap_allowed_smarts = "[OX2][CX4][CX4]1[OX2][CX4][CX4][CX4]1[OX2]"
-    pattern_to_label_mapping_standard = {'[PX4h1]': '5-prime', '[O+0X2h1]': '3-prime'}
-
-    variant_recipe = {
-        # embedded nucleotide 
-        "":  ({"[O][PX4](=O)([O])[OX2][CX4]": {0} ,"[CX4]1[OX2][CX4][CX4][CX4]1[OX2][H]": {6}}, None), 
-        # 3' end nucleotide 
-        "3": ({"[O][PX4](=O)([O])[OX2][CX4]": {0}}, None), 
-        # 5' end nucleotide (extra phosphate than canonical X5)
-        "5p": ({"[CX4]1[OX2][CX4][CX4][CX4]1[OX2][H]": {6}}, None), 
-        # 5' end nucleoside (canonical X5 in Amber)
-        "5": ({"[O][PX4](=O)([O])[OX2][CX4]": {0,1,2,3}, "[CX4]1[OX2][CX4][CX4][CX4]1[OX2][H]": {6}}, {"[OX2][CX4][CX4]1[OX2][CX4][CX4][CX4]1[OX2]": {0}}), 
-    }
-
-    for basename in basenames:
-        for suffix in variant_recipe:
-            cc = ChemicalComponent.from_cif(source_cif, basename)
-            cc.resname += suffix
-            print(f"*** using CCD residue {basename} to construct {cc.resname} ***")
-
-            cc = (
-                cc
-                .make_canonical(acidic_proton_loc = acidic_proton_loc_canonical)
-                .make_embedded(allowed_smarts = embed_allowed_smarts, 
-                               leaving_smarts_loc = variant_recipe[suffix][0])
-                .make_capped(allowed_smarts = cap_allowed_smarts, 
-                             capping_smarts_loc = variant_recipe[suffix][1]) 
-                .make_pretty_smiles()
-                .make_link_labels_from_patterns(pattern_to_label_mapping = pattern_to_label_mapping_standard)
-                )
-
-            print(f"*** finish making {cc.resname} ***")
-            NA_ccs.append(cc)
-
-    """Export to one json file"""
-    export_chem_templates_to_json(NA_ccs, 'standard_NA_templates.json')
-
-
-if __name__ == '__main__':
-    main()
-
-
-# XXX read from prepared? enumerate in stepwise? all protonation state variants, alter charge and update smiles/idx
\ No newline at end of file

From b93ed7afb612d747db0ec7870aa936b84b5bffbe Mon Sep 17 00:00:00 2001
From: Amy He <ayhe1768@gmail.com>
Date: Fri, 18 Oct 2024 20:28:33 -0700
Subject: [PATCH 093/166] bugfix

---
 meeko/chemtempgen.py | 23 +++++++++++++----------
 1 file changed, 13 insertions(+), 10 deletions(-)

diff --git a/meeko/chemtempgen.py b/meeko/chemtempgen.py
index a6f7325e..39af0d5e 100644
--- a/meeko/chemtempgen.py
+++ b/meeko/chemtempgen.py
@@ -453,10 +453,15 @@ def ResidueTemplate_check(self) -> bool:
         ps.removeHs = False
         mol = Chem.MolFromSmiles(self.smiles_exh, ps)
         have_implicit_hs = {atom.GetIdx() for atom in mol.GetAtoms() if atom.GetTotalNumHs() > 0}
+        
+        if self.link_labels: 
+            int_labels = {int(atom_id) for atom_id in self.link_labels}
+        else:
+            int_labels = set()
 
-        if self.link_labels and {int(atom_id) for atom_id in self.link_labels} != have_implicit_hs:
+        if int_labels != have_implicit_hs:
             raise ValueError(
-                f"expected any atom with non-real Hs ({have_implicit_hs}) to be in {self.link_labels=}"
+                f"expected any atom with non-real Hs ({have_implicit_hs}) to tagged in link_labels ({int_labels})"
             )
         
         if not self.atom_name: 
@@ -471,15 +476,13 @@ def ResidueTemplate_check(self) -> bool:
 def export_chem_templates_to_json(cc_list: list[ChemicalComponent], json_fname: str=""):
     """Export list of chem templates to json"""
 
-    basenames = []
-    for cc in cc_list:
-        if cc.parent and cc.parent not in basenames:
-            basenames.append(cc.parent)
-    ambiguous_dict = {basename:[] for basename in basenames}
+    basenames = [cc.parent for cc in cc_list]
+    ambiguous_dict = {basename: [] for basename in basenames}
     for cc in cc_list:
-        ambiguous_dict[cc.parent].append(cc.resname)
+        if cc.resname not in ambiguous_dict[cc.parent]:
+            ambiguous_dict[cc.parent].append(cc.resname)
 
-    data_to_export = {"ambiguous": {}}
+    data_to_export = {"ambiguous": {basename: basename+".ambiguous" for basename in basenames}}
 
     residue_templates = {}
     for cc in cc_list:
@@ -498,7 +501,7 @@ def export_chem_templates_to_json(cc_list: list[ChemicalComponent], json_fname:
 
     # format ambiguous resnames to one line
     for basename in data_to_export["ambiguous"]:
-        single_line_resnames = json.dumps(data_to_export["ambiguous"][basename], separators=(', ', ': '))
+        single_line_resnames = json.dumps(ambiguous_dict[basename], separators=(', ', ': '))
         json_str = json_str.replace(json.dumps(data_to_export["ambiguous"][basename], indent = 4), single_line_resnames)
 
     # format link_labels and atom_name to one line

From 898a29cbf75c49d367c6b0ee470fcd402a4d5eaf Mon Sep 17 00:00:00 2001
From: Amy He <ayhe1768@gmail.com>
Date: Fri, 18 Oct 2024 20:29:18 -0700
Subject: [PATCH 094/166] add missing templates bc misuse of set()

---
 meeko/data/NAKB_templates.json | 30 ++++++++++++++++++++++++++++++
 1 file changed, 30 insertions(+)

diff --git a/meeko/data/NAKB_templates.json b/meeko/data/NAKB_templates.json
index 3586c509..b13c3292 100644
--- a/meeko/data/NAKB_templates.json
+++ b/meeko/data/NAKB_templates.json
@@ -133,6 +133,7 @@
         "0DA": ["0DA", "0DA3", "0DA5p", "0DA5"],
         "8GM": ["8GM", "8GM3", "8GM5p", "8GM5"],
         "DUZ": ["DUZ", "DUZ3", "DUZ5p", "DUZ5"],
+        "GTG": ["GTG"],
         "IU": ["IU", "IU3", "IU5p", "IU5"],
         "LCA": ["LCA", "LCA3", "LCA5p", "LCA5"],
         "SUR": ["SUR", "SUR3", "SUR5p", "SUR5"],
@@ -155,6 +156,7 @@
         "M3X": ["M3X", "M3X3", "M3X5p", "M3X5"],
         "M7M": ["M7M5p"],
         "MG1": ["MG1", "MG13", "MG15p", "MG15"],
+        "RIA": ["RIA"],
         "T64": ["T645p"],
         "UAR": ["UAR", "UAR3", "UAR5p", "UAR5"],
         "UFP": ["UFP", "UFP3", "UFP5p", "UFP5"],
@@ -170,6 +172,7 @@
         "EFG": ["EFG", "EFG3", "EFG5p", "EFG5"],
         "EW3": ["EW3", "EW33", "EW35p", "EW35"],
         "G48": ["G48", "G483", "G485p", "G485"],
+        "GTA": ["GTA"],
         "LV2": ["LV2", "LV23", "LV25p", "LV25"],
         "OHU": ["OHU", "OHU3", "OHU5p", "OHU5"],
         "PRN": ["PRN", "PRN3", "PRN5p", "PRN5"],
@@ -271,6 +274,7 @@
         "E1X": ["E1X", "E1X3", "E1X5p", "E1X5"],
         "EIX": ["EIX", "EIX3", "EIX5p", "EIX5"],
         "EWC": ["EWC", "EWC3", "EWC5p", "EWC5"],
+        "G3A": ["G3A"],
         "GCP": ["GCP5p"],
         "GRB": ["GRB", "GRB3", "GRB5p", "GRB5"],
         "HN0": ["HN0", "HN03", "HN05p", "HN05"],
@@ -371,6 +375,7 @@
         "GMU": ["GMU", "GMU3", "GMU5p", "GMU5"],
         "GMX": ["GMX", "GMX3", "GMX5p", "GMX5"],
         "GN7": ["GN7", "GN73", "GN75p", "GN75"],
+        "GP3": ["GP3"],
         "GSR": ["GSR", "GSR3", "GSR5p", "GSR5"],
         "GSS": ["GSS", "GSS3", "GSS5p", "GSS5"],
         "HEU": ["HEU", "HEU3", "HEU5p", "HEU5"],
@@ -3060,6 +3065,11 @@
             "atom_name": ["H31", "O5'", "C5'", "H5'", "H5'A", "C4'", "H4'", "O4'", "C1'", "H1'", "N1", "C2", "O2", "N3", "HN3", "C4", "O4", "C5", "C21", "O22", "N23", "HN23", "C24", "H24", "H24A", "C25", "C30", "H30", "C29", "H29", "C28", "H28", "C27", "H27", "C26", "H26", "C6", "H6", "C2'", "H2'", "H2'A", "C3'", "H3'", "O3'"],
             "link_labels": {"43": "3-prime"}
         },
+        "GTG": {
+            "smiles": "[H]OC1([H])C([H])(N2C([H])=NC3=C2N=C(N([H])[H])N([H])C3=O)OC([H])(C([H])([H])OP(=O)([O-])OP(=O)([O-])OP(=O)([O-])OC([H])([H])C2([H])OC([H])(N3C4=C(C(=O)N([H])C(N([H])[H])=N4)[N+](C([H])([H])[H])=C3[H])C([H])(O[H])C2([H])O[H])C1([H])O[H]",
+            "atom_name": ["H2BO", "O2E", "C2E", "H2B", "C1E", "H1B", "N9B", "C8B", "H8B", "N7B", "C5B", "C4B", "N3B", "C2B", "N2B", "H2B1", "H2B2", "N1B", "H1BN", "C6B", "O6B", "O4E", "C4E", "H4B", "C5E", "H5B1", "H5B2", "O5E", "PG", "O1G", "O2G", "O3B", "PB", "O1B", "O2B", "O3A", "PA", "O1A", "O2A", "O5D", "C5D", "H5'1", "H5'2", "C4D", "H4'", "O4D", "C1D", "H1'", "N9A", "C4A", "C5A", "C6A", "O6A", "N1A", "HN1", "C2A", "N2A", "HN21", "HN22", "N3A", "N7A", "C7X", "HC71", "HC72", "HC73", "C8A", "H8", "C2D", "H2'", "O2D", "HO2'", "C3D", "H3'", "O3D", "HO3'", "C3E", "H3B", "O3E", "H3BO"],
+            "link_labels": {}
+        },
         "IU": {
             "smiles": "[H]OC1([H])C([H])(N2C(=O)N([H])C(=O)C(I)=C2[H])OC([H])(C([H])([H])OP(=O)[O-])C1([H])O",
             "atom_name": ["HO2'", "O2'", "C2'", "H2'", "C1'", "H1'", "N1", "C2", "O2", "N3", "H3", "C4", "O4", "C5", "I5", "C6", "H6", "O4'", "C4'", "H4'", "C5'", "H5'", "H5''", "O5'", "P", "OP1", "OP3", "C3'", "H3'", "O3'"],
@@ -3480,6 +3490,11 @@
             "atom_name": ["H23", "O5'", "C5'", "H5'", "H5''", "C4'", "H4'", "O4'", "C1'", "H1'", "N9", "C8", "H8", "N7", "C5", "C4", "N3", "C2", "N2", "H21", "H22", "N1", "CM1", "HM11", "HM12", "HM13", "C6", "O6", "C2'", "H2'", "H2''", "C3'", "H3'", "O3'"],
             "link_labels": {"33": "3-prime"}
         },
+        "RIA": {
+            "smiles": "[H]OC1([H])C([H])(OC2([H])C([H])(N3C([H])=NC4=C3N=C([H])N=C4N([H])[H])OC([H])(C([H])([H])OP(=O)([O-])[O-])C2([H])O[H])OC([H])(C([H])([H])OP(=O)([O-])[O-])C1([H])O[H]",
+            "atom_name": ["HO2'", "O2'", "C2'", "H2'", "C1'", "H1'", "O2A", "C2A", "H2A", "C1A", "H1A", "N9", "C8", "H8", "N7", "C5", "C4", "N3", "C2", "H2", "N1", "C6", "N6", "HN61", "HN62", "O4'", "C4A", "H4A", "C5A", "H5'", "H5''", "O5A", "P", "OP1", "OP2", "OP3", "C3A", "H3A", "O3A", "HO3A", "O1'", "C4'", "H4'", "C5'", "H5'1", "H5'2", "O5'", "P'", "O1X", "O2X", "O3X", "C3'", "H3'", "O3'", "HO3'"],
+            "link_labels": {}
+        },
         "T645p": {
             "smiles": "[H]OC1(C([H])([H])[H])C(=O)N([H])C(=O)N2C3([H])OC([H])(C([H])([H])OP(=O)([O-])[O-])C([H])(OP(=O)([O-])OC([H])([H])C4([H])OC([H])(N5C(=O)N=C(C(C([H])([H])[H])=C5[H])C21[H])C([H])([H])C4([H])O)C3([H])[H]",
             "atom_name": ["HO4T", "O4T", "C5", "C5A", "H5A", "H5AA", "H5AB", "C4", "O4", "N3", "HN3", "C2", "O2", "N1", "C1'", "H1'", "O4'", "C4R", "H4R", "C5'", "H5'", "H5'A", "O5'", "P", "OP2", "OP3", "OP1", "C3R", "H3R", "O3R", "PB", "O4P", "O5P", "O5R", "C5R", "H5R", "H5RA", "C4'", "H4'", "O4R", "C1R", "H1R", "N1T", "C2T", "O2T", "N3T", "C4T", "C5T", "C5M", "H5M", "H5MA", "H5MB", "C6T", "H6T", "C6", "H6", "C2R", "H2R", "H2RA", "C3'", "H3'", "O3'", "C2'", "H2'", "H2'A"],
@@ -3765,6 +3780,11 @@
             "atom_name": ["H23", "O5'", "C5'", "H5'", "H5''", "C4'", "H4'", "O4'", "C1'", "H1'", "N9", "C8", "H8", "N7", "C5", "C4", "N3", "C2", "N2", "H21", "H22", "N1", "H1", "C6", "O6", "C2'", "H2'", "O2'", "CA'", "HCA2", "HCA1", "CB'", "HCB1", "HCB2", "OC'", "CD'", "HCD1", "HCD2", "HCD3", "C3'", "H3'", "O3'"],
             "link_labels": {"41": "3-prime"}
         },
+        "GTA": {
+            "smiles": "[H]OC1([H])C([H])(N2C([H])=NC3=C(N([H])[H])N=C([H])N=C32)OC([H])(C([H])([H])OP(=O)([O-])OP(=O)([O-])OP(=O)([O-])OC([H])([H])C2([H])OC([H])(N3C4=C(C(=O)N([H])C(N([H])[H])=N4)[N+](C([H])([H])[H])=C3[H])C([H])(O[H])C2([H])O[H])C1([H])O[H]",
+            "atom_name": ["HO2B", "O2B", "C2B", "H2B", "C1B", "H1B", "N9C", "C8C", "H8C", "N7C", "C5C", "C6C", "N6C", "HN61", "HN62", "N1C", "C2C", "H2C", "N3C", "C4C", "O4B", "C4B", "H4B", "C5B", "H5B1", "H5B2", "O33", "P3", "O31", "O32", "O23", "P2", "O21", "O22", "O13", "P1", "O11", "O12", "O15", "C5A", "H5A1", "H5A2", "C4A", "H4A", "O4A", "C1A", "H1A", "N9", "C4", "C5", "C6", "O6", "N1", "HN1", "C2", "N2", "HN21", "HN22", "N3", "N7", "C7", "H71", "H72", "H73", "C8", "H8", "C2A", "H2A", "O2A", "HO2A", "C3A", "H3A", "O3A", "HO3A", "C3B", "H3B", "O3B", "HO3B"],
+            "link_labels": {}
+        },
         "LV2": {
             "smiles": "[H]OC1([H])C([H])(N2C(=O)N=C(N(C([H])([H])[H])C([H])([H])[H])C([H])=C2[H])OC([H])(C([H])([H])OP(=O)[O-])C1([H])O",
             "atom_name": ["H8", "O2'", "C2'", "H7", "C1'", "H9", "N1", "C2", "O2", "N3", "C4", "N4", "CM4", "H12", "H13", "H14", "C1", "H16", "H17", "H18", "C5", "H10", "C6", "H11", "O4'", "C4'", "H5", "C5'", "H3", "H4", "O5'", "P", "OP1", "OP3", "C3'", "H6", "O3'"],
@@ -5775,6 +5795,11 @@
             "atom_name": ["H13", "O5'", "C5'", "H2", "H3", "C4'", "H4", "O4'", "C1'", "H8", "N9", "C8", "O23", "N7", "H9", "C5", "O24", "C4", "C6", "O6", "N1", "C2", "N2", "H11", "H12", "N3", "H10", "C2'", "H6", "H7", "C3'", "H5", "O3'"],
             "link_labels": {"32": "3-prime"}
         },
+        "G3A": {
+            "smiles": "[H]OC1([H])C([H])(N2C([H])=NC3=C2N=C(N([H])[H])N([H])C3=O)OC([H])(C([H])([H])OP(=O)([O-])OP(=O)([O-])OP(=O)([O-])OC([H])([H])C2([H])OC([H])(N3C([H])=NC4=C3N=C([H])N=C4N([H])[H])C([H])(O[H])C2([H])O[H])C1([H])O[H]",
+            "atom_name": ["HO42", "O42", "C42", "H42", "C41", "H41", "N39", "C38", "H38", "N37", "C35", "C34", "N33", "C32", "N32", "H321", "H322", "N31", "HN31", "C36", "O36", "O44", "C44", "H44", "C45", "H451", "H452", "O45", "PA", "O2A", "O1A", "O1", "PB", "O3B", "O2B", "O3A", "PG", "O1G", "O2G", "O25", "C25", "H251", "H252", "C24", "H24", "O24", "C21", "H21", "N19", "C18", "H18", "N17", "C15", "C14", "N13", "C12", "H12", "N11", "C16", "N16", "H161", "H162", "C22", "H22", "O22", "HO22", "C23", "H23", "O23", "HO23", "C43", "H43", "O43", "HO43"],
+            "link_labels": {}
+        },
         "GCP5p": {
             "smiles": "[H]OC1([H])C([H])(N2C([H])=NC3=C2N=C(N([H])[H])N([H])C3=O)OC([H])(C([H])([H])OP(=O)([O-])OP(=O)([O-])C([H])([H])P(=O)([O-])[O-])C1([H])O",
             "atom_name": ["HO2'", "O2'", "C2'", "H2'", "C1'", "H1'", "N9", "C8", "H8", "N7", "C5", "C4", "N3", "C2", "N2", "HN21", "HN22", "N1", "HN1", "C6", "O6", "O4'", "C4'", "H4'", "C5'", "H5'2", "H5'1", "O5'", "PA", "O1A", "O2A", "O3A", "PB", "O1B", "O2B", "C3B", "H3B1", "H3B2", "PG", "O1G", "O2G", "O3G", "C3'", "H3'", "O3'"],
@@ -7725,6 +7750,11 @@
             "atom_name": ["H9", "O5'", "C5'", "H5'", "H5''", "C4'", "H4'", "O4'", "C1'", "H1'", "N7", "C8", "H8", "N9", "C4", "C5", "C6", "O6", "N1", "HN1", "C2", "N2", "HN21", "HN22", "N3", "C2'", "H2'", "H2''", "C3'", "H3'", "O3'"],
             "link_labels": {"30": "3-prime"}
         },
+        "GP3": {
+            "smiles": "[H]OC1([H])C([H])(N2C([H])=NC3=C2N=C(N([H])[H])N([H])C3=O)OC([H])(C([H])([H])OP(=O)([O-])OP(=O)([O-])OP(=O)([O-])OC([H])([H])C2([H])OC([H])(N3C([H])=NC4=C3N=C(N([H])[H])N([H])C4=O)C([H])(O[H])C2([H])O[H])C1([H])O[H]",
+            "atom_name": ["HO2A", "O2D", "C2D", "H2D", "C1D", "H1D", "N9A", "C8A", "H8A", "N7A", "C5A", "C4A", "N3A", "C2A", "N2A", "H21A", "H22A", "N1A", "H1A", "C6A", "O6A", "O4D", "C4D", "H4D", "C5D", "H51A", "H52A", "O5D", "PA", "O1A", "O2A", "O3A", "PB", "O1B", "O2B", "O3B", "PG", "O1G", "O2G", "O5E", "C5E", "H51B", "H52B", "C4E", "H4E", "O4E", "C1E", "H1E", "N9B", "C8B", "H8B", "N7B", "C5B", "C4B", "N3B", "C2B", "N2B", "H21B", "H22B", "N1B", "H1B", "C6B", "O6B", "C2E", "H2E", "O2E", "HO2B", "C3E", "H3E", "O3E", "HO3B", "C3D", "H3D", "O3D", "HO3A"],
+            "link_labels": {}
+        },
         "GSR": {
             "smiles": "[H]OC([H])([H])C([H])(C1=C([H])C([H])=C([H])C([H])=C1[H])N([H])C1=NC2=C(N=C([H])N2C2([H])OC([H])(C([H])([H])OP(=O)[O-])C([H])(O)C2([H])[H])C(=O)N1[H]",
             "atom_name": ["HB", "OB", "CB", "HB1", "HB2", "CA", "HA", "CJ", "CO", "HO", "CM", "HM", "CP", "HP", "CM'", "HM'", "CO'", "HO'", "N2", "H2", "C2", "N3", "C4", "C5", "N7", "C8", "H8", "N9", "C1'", "H1'", "O4'", "C4'", "H4'", "C5'", "H5'", "H5''", "O5'", "P", "OP1", "OP3", "C3'", "H3'", "O3'", "C2'", "H2'", "H2''", "C6", "O6", "N1", "H1"],

From 6d1ae4f679f0dea686e5d0bb2b8fd5b181023770 Mon Sep 17 00:00:00 2001
From: Amy He <ayhe1768@gmail.com>
Date: Fri, 18 Oct 2024 21:56:43 -0700
Subject: [PATCH 095/166] guard against KeyError when set_template assigns an
 ambiguous template_key

---
 meeko/linked_rdkit_chorizo.py | 4 ++++
 1 file changed, 4 insertions(+)

diff --git a/meeko/linked_rdkit_chorizo.py b/meeko/linked_rdkit_chorizo.py
index 1eed12ba..580f0246 100644
--- a/meeko/linked_rdkit_chorizo.py
+++ b/meeko/linked_rdkit_chorizo.py
@@ -1194,6 +1194,10 @@ def _get_residues(
             if set_template is not None and residue_key in set_template:
                 excess_H_ok = True  # e.g. allow set LYN (NH2) from LYS (NH3+)
                 template_key = set_template[residue_key]  # e.g. HID, NALA
+                if template_key not in residue_templates: 
+                    if template_key in ambiguous: 
+                        raise RuntimeError(f"Can't assign an ambiguous tamplate_key ({template_key}) to residue ({residue_key}). ")
+                    raise RuntimeError(f"Assigned tamplate_key ({template_key}) for residue ({residue_key}) is not in residue_templates. ")
                 template = residue_templates[template_key]
                 candidate_template_keys = [set_template[residue_key]]
                 candidate_templates = [template]

From 4833888a276e602e584c7fc2d8b95ff5f24b72bb Mon Sep 17 00:00:00 2001
From: diogom <diogom@scripps.edu>
Date: Fri, 18 Oct 2024 23:22:38 -0700
Subject: [PATCH 096/166] add index map to flexres pdbqt

---
 meeko/rdkit_mol_create.py                     |   8 +-
 meeko/writer.py                               |   2 +-
 scripts/mk_export.py                          |   5 +-
 test/flexres_export_test.py                   |  26 ++++-
 ...t-three-residues_vina_flexres_idxmap.pdbqt | 108 ++++++++++++++++++
 test/rdkitmol_from_docking_test.py            |   4 +-
 6 files changed, 144 insertions(+), 9 deletions(-)
 create mode 100644 test/linked_rdkit_chorizo_data/just-three-residues_vina_flexres_idxmap.pdbqt

diff --git a/meeko/rdkit_mol_create.py b/meeko/rdkit_mol_create.py
index 21a85938..30d1eecf 100644
--- a/meeko/rdkit_mol_create.py
+++ b/meeko/rdkit_mol_create.py
@@ -184,7 +184,7 @@ def from_pdbqt_mol(
         cls,
         pdbqt_mol,
         only_cluster_leads=False,
-        skip_flexres=False,
+        keep_flexres=False,
     ):
         # todo: add pseudo-water (W atoms, variable nr each pose)
         if only_cluster_leads and len(pdbqt_mol._pose_data["cluster_leads_sorted"]) == 0:
@@ -192,7 +192,7 @@ def from_pdbqt_mol(
         mol_list = []
         for mol_index in pdbqt_mol._atom_annotations["mol_index"]:
             flexres_id = pdbqt_mol._pose_data["mol_index_to_flexible_residue"][mol_index]
-            if flexres_id is not None and skip_flexres:
+            if flexres_id is not None and not keep_flexres:
                 continue
             smiles = pdbqt_mol._pose_data['smiles'][mol_index]
             index_map = pdbqt_mol._pose_data['smiles_index_map'][mol_index]
@@ -453,10 +453,10 @@ def add_sandbox_coordinates(cls, dlgstring, rdmol, index_map, h_parent, groupnam
         return rdmol, energy
 
     @staticmethod
-    def write_sd_string(pdbqt_mol, only_cluster_leads=False, skip_flexres=False):
+    def write_sd_string(pdbqt_mol, only_cluster_leads=False, keep_flexres=False):
         sio = io.StringIO()
         f = Chem.SDWriter(sio)
-        mol_list = RDKitMolCreate.from_pdbqt_mol(pdbqt_mol, only_cluster_leads, skip_flexres)
+        mol_list = RDKitMolCreate.from_pdbqt_mol(pdbqt_mol, only_cluster_leads, keep_flexres)
         failures = [i for i, mol in enumerate(mol_list) if mol is None]
         combined_mol = RDKitMolCreate.combine_rdkit_mols(mol_list)
         if combined_mol is None:
diff --git a/meeko/writer.py b/meeko/writer.py
index ceb9ad40..b476992a 100644
--- a/meeko/writer.py
+++ b/meeko/writer.py
@@ -535,7 +535,7 @@ def write_from_linked_rdkit_chorizo(cls, chorizo):
                 for atom_idx, is_flex in enumerate(residue.is_flexres_atom):
                         molsetup.atoms[atom_idx].is_ignore = not is_flex
                 this_flex_pdbqt, ok, err = PDBQTWriterLegacy.write_string(
-                    molsetup, remove_smiles=True
+                    molsetup, remove_smiles=True, add_index_map=True
                 )
                 for atom in molsetup.atoms:
                     atom.is_ignore = original_ignore[atom.index]
diff --git a/scripts/mk_export.py b/scripts/mk_export.py
index ae9b5beb..39ae4982 100755
--- a/scripts/mk_export.py
+++ b/scripts/mk_export.py
@@ -38,6 +38,8 @@ def cmd_lineparser():
                         help="receptor written by mk_prepare_receptor -j/--write_json")
     parser.add_argument('--all_dlg_poses', action='store_true',
                         help="write all AutoDock-GPU poses, not just cluster leads.")
+    parser.add_argument('-k', '--keep_flexres_sdf', action='store_true',
+                        help="add flexres, if any, to SDF ouput")
     parser.add_argument('-', '--',  dest='redirect_stdout', action='store_true',
                         help="do not write SDF file, just print it to STDOUT")
     return parser.parse_args()
@@ -50,6 +52,7 @@ def cmd_lineparser():
 read_json = args.read_json
 suffix = args.suffix
 all_dlg_poses = args.all_dlg_poses
+keep_flexres_sdf = args.keep_flexres_sdf
 redirect_stdout = args.redirect_stdout
 
 if (
@@ -92,7 +95,7 @@ def cmd_lineparser():
     sdf_string, failures = RDKitMolCreate.write_sd_string(
             pdbqt_mol,
             only_cluster_leads=only_cluster_leads,
-            skip_flexres=read_json is not None,  # sidechains will go to pdb
+            keep_flexres=keep_flexres_sdf,
     )
     for i in failures:
         warnings.warn("molecule %d not converted to RDKit/SD File" % i)
diff --git a/test/flexres_export_test.py b/test/flexres_export_test.py
index 4deae0d8..7214dfd2 100644
--- a/test/flexres_export_test.py
+++ b/test/flexres_export_test.py
@@ -11,6 +11,7 @@
 pkgdir = pathlib.Path(meeko.__file__).parents[1]
 just_three_residues = pkgdir / "test/linked_rdkit_chorizo_data/just-three-residues.pdb"
 j3r_docked = pkgdir / "test/linked_rdkit_chorizo_data/just-three-residues_vina_flexres.pdbqt"
+j3r_idx_docked = pkgdir / "test/linked_rdkit_chorizo_data/just-three-residues_vina_flexres_idxmap.pdbqt"
 
 meekodir = pathlib.Path(meeko.__file__).parents[0]
 
@@ -45,7 +46,7 @@ def get_x_from_pdb_str(pdbstr, wanted_chain, wanted_resnum, wanted_name):
             return float(line[30:38])
     return None
 
-def test_export_sidechains():
+def test_export_sidechains_no_idxmap():
     with open(just_three_residues) as f:
         pdb_string = f.read()
     chorizo = LinkedRDKitChorizo.from_pdb_string(
@@ -69,6 +70,29 @@ def test_export_sidechains():
     x = get_x_from_pdb_str(pdb_string, "", 16, "HG")
     assert abs(x - 18.724) < 0.0001
 
+    # rebuilding chorizo can fail if structure is mangled
+    chorizo = LinkedRDKitChorizo.from_pdb_string(
+        pdb_string,
+        chem_templates,
+        mk_prep,
+    )
+    chorizo.flexibilize_sidechain(":15", mk_prep)
+    chorizo.flexibilize_sidechain(":16", mk_prep)
+    assert len(chorizo.get_valid_residues()) == 3
+
+    # with INDEX MAP in flexres PDBQT
+    with open(j3r_idx_docked) as f:
+        docked_pdbqt_string = f.read()
+    pdbqt_mol = PDBQTMolecule(docked_pdbqt_string, skip_typing=True)
+    pdbqt_mol._current_pose = 0
+    pdb_string = export_pdb_updated_flexres(chorizo, pdbqt_mol)
+    x = get_x_from_pdb_str(pdb_string, "", 15, "SD")
+    assert abs(x - 10.577) < 0.0001
+    pdbqt_mol._current_pose = 1
+    pdb_string = export_pdb_updated_flexres(chorizo, pdbqt_mol)
+    x = get_x_from_pdb_str(pdb_string, "", 16, "HG")
+    assert abs(x - 18.690) < 0.0001
+
     # rebuilding chorizo can fail if structure is mangled
     chorizo = LinkedRDKitChorizo.from_pdb_string(
         pdb_string,
diff --git a/test/linked_rdkit_chorizo_data/just-three-residues_vina_flexres_idxmap.pdbqt b/test/linked_rdkit_chorizo_data/just-three-residues_vina_flexres_idxmap.pdbqt
new file mode 100644
index 00000000..e657086c
--- /dev/null
+++ b/test/linked_rdkit_chorizo_data/just-three-residues_vina_flexres_idxmap.pdbqt
@@ -0,0 +1,108 @@
+MODEL 1
+REMARK VINA RESULT:    -2.013      0.000      0.000
+REMARK INTER + INTRA:          -2.601
+REMARK INTER:                  -2.013
+REMARK INTRA:                  -0.588
+REMARK UNBOUND:                -0.588
+REMARK SMILES O
+REMARK SMILES IDX 1 1
+REMARK H PARENT 1 2 1 3
+ROOT
+ATOM      1  O   UNL     1      16.862  17.135  17.090  1.00  0.00    -0.412 OA
+ATOM      2  H   UNL     1      16.554  18.076  17.087  1.00  0.00     0.206 HD
+ATOM      3  H   UNL     1      16.079  16.616  16.778  1.00  0.00     0.206 HD
+ENDROOT
+TORSDOF 0
+REMARK SMILES O
+REMARK SMILES IDX 1 1
+REMARK H PARENT 1 2 1 3
+ROOT
+ATOM      1  O   UNL     1      16.733  15.468  14.742  1.00  0.00    -0.412 OA
+ATOM      2  H   UNL     1      15.877  15.072  14.441  1.00  0.00     0.206 HD
+ATOM      3  H   UNL     1      17.409  15.101  14.118  1.00  0.00     0.206 HD
+ENDROOT
+TORSDOF 0
+BEGIN_RES MET  15
+REMARK INDEX MAP 3 1 15 2 18 3 21 4 22 5
+ROOT
+ATOM      1  CA  MET    15      13.351  17.068  16.029  1.00  0.00     0.172 C 
+ENDROOT
+BRANCH   1   2
+ATOM      2  CB  MET    15      13.177  17.850  17.335  1.00  0.00     0.046 C 
+BRANCH   2   3
+ATOM      3  CG  MET    15      11.716  17.975  17.746  1.00  0.00     0.072 C 
+BRANCH   3   4
+ATOM      4  SD  MET    15      10.577  17.151  16.612  1.00  0.00    -0.165 SA
+ATOM      5  CE  MET    15       9.912  18.534  15.766  1.00  0.00     0.085 C 
+ENDBRANCH   3   4
+ENDBRANCH   2   3
+ENDBRANCH   1   2
+END_RES MET  15
+BEGIN_RES SER  16
+REMARK INDEX MAP 3 1 15 2 18 3 19 4
+ROOT
+ATOM      6  CA  SER    16      15.812  18.990  13.787  1.00  0.00     0.197 C 
+ENDROOT
+BRANCH   6   7
+ATOM      7  CB  SER    16      17.291  19.276  14.049  1.00  0.00     0.191 C 
+BRANCH   7   8
+ATOM      8  OG  SER    16      17.979  18.097  14.470  1.00  0.00    -0.392 OA
+ATOM      9  HG  SER    16      17.342  17.443  14.765  1.00  0.00     0.210 HD
+ENDBRANCH   7   8
+ENDBRANCH   6   7
+END_RES SER  16
+ENDMDL
+MODEL 2
+REMARK VINA RESULT:    -1.972      0.974      1.931
+REMARK INTER + INTRA:          -2.560
+REMARK INTER:                  -2.010
+REMARK INTRA:                  -0.550
+REMARK UNBOUND:                -0.588
+REMARK SMILES O
+REMARK SMILES IDX 1 1
+REMARK H PARENT 1 2 1 3
+ROOT
+ATOM      1  O   UNL     1      16.726  15.468  14.747  1.00  0.00    -0.412 OA
+ATOM      2  H   UNL     1      17.016  16.202  14.149  1.00  0.00     0.206 HD
+ATOM      3  H   UNL     1      15.838  15.755  15.079  1.00  0.00     0.206 HD
+ENDROOT
+TORSDOF 0
+REMARK SMILES O
+REMARK SMILES IDX 1 1
+REMARK H PARENT 1 2 1 3
+ROOT
+ATOM      1  O   UNL     1      16.854  17.156  17.092  1.00  0.00    -0.412 OA
+ATOM      2  H   UNL     1      16.910  17.997  16.571  1.00  0.00     0.206 HD
+ATOM      3  H   UNL     1      17.536  17.259  17.802  1.00  0.00     0.206 HD
+ENDROOT
+TORSDOF 0
+BEGIN_RES MET  15
+REMARK INDEX MAP 3 1 15 2 18 3 21 4 22 5
+ROOT
+ATOM      1  CA  MET    15      13.351  17.068  16.029  1.00  0.00     0.172 C 
+ENDROOT
+BRANCH   1   2
+ATOM      2  CB  MET    15      13.177  17.850  17.335  1.00  0.00     0.046 C 
+BRANCH   2   3
+ATOM      3  CG  MET    15      11.712  18.037  17.708  1.00  0.00     0.072 C 
+BRANCH   3   4
+ATOM      4  SD  MET    15      10.951  19.478  16.932  1.00  0.00    -0.165 SA
+ATOM      5  CE  MET    15       9.964  18.699  15.711  1.00  0.00     0.085 C 
+ENDBRANCH   3   4
+ENDBRANCH   2   3
+ENDBRANCH   1   2
+END_RES MET  15
+BEGIN_RES SER  16
+REMARK INDEX MAP 3 1 15 2 18 3 19 4
+ROOT
+ATOM      6  CA  SER    16      15.812  18.990  13.787  1.00  0.00     0.197 C 
+ENDROOT
+BRANCH   6   7
+ATOM      7  CB  SER    16      17.291  19.276  14.049  1.00  0.00     0.191 C 
+BRANCH   7   8
+ATOM      8  OG  SER    16      17.979  18.097  14.470  1.00  0.00    -0.392 OA
+ATOM      9  HG  SER    16      18.690  18.338  15.067  1.00  0.00     0.210 HD
+ENDBRANCH   7   8
+ENDBRANCH   6   7
+END_RES SER  16
+ENDMDL
diff --git a/test/rdkitmol_from_docking_test.py b/test/rdkitmol_from_docking_test.py
index 76ccd01b..d8873031 100644
--- a/test/rdkitmol_from_docking_test.py
+++ b/test/rdkitmol_from_docking_test.py
@@ -23,7 +23,7 @@ def check_rdkit_bond_lengths(fpath, nr_expected_none, is_dlg, skip_typing):
     return run_from_pdbqtmol(pdbqtmol, nr_expected_none)
 
 def run_from_pdbqtmol(pdbqtmol, nr_expected_none=0):
-    mols = RDKitMolCreate.from_pdbqt_mol(pdbqtmol) 
+    mols = RDKitMolCreate.from_pdbqt_mol(pdbqtmol, keep_flexres=True)
     assert(mols.count(None) == nr_expected_none)
     nr_conformers = set()
     for mol in mols:
@@ -158,7 +158,7 @@ def test_offsite_charges():
     assert is_ok
     assert "LP" in pdbqt
     pmol = PDBQTMolecule(pdbqt, skip_typing=True)
-    rdkit_mols = RDKitMolCreate.from_pdbqt_mol(pmol)
+    rdkit_mols = RDKitMolCreate.from_pdbqt_mol(pmol, keep_flexres=True)
     assert len(rdkit_mols) == 1
     smiles = Chem.MolToSmiles(rdkit_mols[0])
     assert type(smiles) == str

From 2e748b28706c44b52f2ace0b5b6b5bb103cd111f Mon Sep 17 00:00:00 2001
From: Amy He <ayhe1768@gmail.com>
Date: Sat, 19 Oct 2024 14:06:24 -0700
Subject: [PATCH 097/166] working version of guess_linker

---
 meeko/chemtempgen.py          | 102 ++++++++++++++++++++++++++++++++--
 meeko/linked_rdkit_chorizo.py |  40 +++++++++----
 2 files changed, 127 insertions(+), 15 deletions(-)

diff --git a/meeko/chemtempgen.py b/meeko/chemtempgen.py
index 39af0d5e..f1ff8038 100644
--- a/meeko/chemtempgen.py
+++ b/meeko/chemtempgen.py
@@ -139,7 +139,8 @@ def embed(mol: Chem.Mol, allowed_smarts: str,
 
 
 def cap(mol: Chem.Mol, allowed_smarts: str, 
-        capping_names: set[str] = None, capping_smarts_loc: dict[str, set[int]] = None) -> Chem.Mol:
+        capping_names: set[str] = None, capping_smarts_loc: dict[str, set[int]] = None, 
+        protonate: bool = False) -> Chem.Mol:
     """Add hydrogens to atoms with implicit hydrogens based on the union of
     (a) capping_names: list of atom IDs (names), and
     (b) capping_smarts_loc: dict to map substructure SMARTS patterns with 
@@ -172,9 +173,12 @@ def get_max_Hid(mol: Chem.Mol) -> int:
     new_Hid = get_max_Hid(mol) + 1
     atoms_in_mol = [atom for atom in mol.GetAtoms()]
     for atom_idx in capping_atoms_idx:
-        needed_Hs = atoms_in_mol[atom_idx].GetNumImplicitHs()
+        parent_atom  = atoms_in_mol[atom_idx]
+        if protonate: 
+            parent_atom.SetFormalCharge(parent_atom.GetFormalCharge() + 1)
+        needed_Hs = parent_atom.GetNumImplicitHs()
         if needed_Hs == 0:
-            logging.warning(f"Atom # {atom_idx} ({atoms_in_mol[atom_idx].GetProp('atom_id')}) in mol doesn't have implicit Hs -> continue with next atom... ")
+            logging.warning(f"Atom # {atom_idx} ({parent_atom.GetProp('atom_id')}) in mol doesn't have implicit Hs -> continue with next atom... ")
         else:
             new_atom = Chem.Atom("H")
             new_atom.SetProp('atom_id', f"H{new_Hid}")
@@ -402,10 +406,11 @@ def make_embedded(self, allowed_smarts, leaving_names = None, leaving_smarts_loc
                                leaving_names = leaving_names, leaving_smarts_loc = leaving_smarts_loc)
         return self
         
-    def make_capped(self, allowed_smarts, capping_names = None, capping_smarts_loc = None):
+    def make_capped(self, allowed_smarts, capping_names = None, capping_smarts_loc = None, protonate = None):
         """Build and name explicit hydrogens for atoms with implicit Hs by atom names and/or patterns."""
         self.rdkit_mol = cap(self.rdkit_mol, allowed_smarts = allowed_smarts, 
-                             capping_names = capping_names, capping_smarts_loc = capping_smarts_loc)
+                             capping_names = capping_names, capping_smarts_loc = capping_smarts_loc,
+                             protonate = protonate)
         return self
         
     def make_pretty_smiles(self):
@@ -555,6 +560,9 @@ def fetch_from_pdb(resname: str, max_retries = 5, backoff_factor = 2) -> str:
         '[H][SX2][a]': 0, # thiophenol
     }
 
+AA_embed_allowed_smarts = "[NX3]([H])[CX4][CX2](=O)[OX2][H]"
+NA_embed_allowed_smarts = "[O][PX4](=O)([O])[OX2][CX4][CX4]1[OX2][CX4][CX4][CX4]1[OX2][H]"
+
 # Make free (noncovalent) CC
 def build_noncovalent_CC(basename: str) -> ChemicalComponent: 
 
@@ -584,6 +592,90 @@ def build_noncovalent_CC(basename: str) -> ChemicalComponent:
     return cc
 
 
+def build_linked_CCs(basename: str, AA: bool = False, NA: bool = False, 
+                     embed_allowed_smarts: str = None, 
+                     cap_allowed_smarts: str = None, cap_protonate: bool = False, 
+                     pattern_to_label_mapping_standard = dict[str, str], 
+                     variant_dict = dict[str, tuple]) -> list[ChemicalComponent]: 
+
+    with ChemicalComponent_LoggingControler(): 
+        cc_from_cif = ChemicalComponent.from_cif(fetch_from_pdb(basename), basename)
+        if cc_from_cif is None:
+            return None
+
+        cc = copy.deepcopy(cc_from_cif)
+        logger.info(f"*** using CCD ligand {basename} to construct residue {cc.resname} ***")
+
+        if AA or cc.rdkit_mol.GetSubstructMatch(Chem.MolFromSmarts(AA_embed_allowed_smarts)): 
+            embed_allowed_smarts = AA_embed_allowed_smarts
+            cap_allowed_smarts = "[NX3]([H])[CX4][CX2](=O)"
+            cap_protonate = True
+            pattern_to_label_mapping_standard = {'[NX3h1]': 'N-term', '[CX2h1]': 'C-term'}
+
+            variant_dict = {
+                    "_":  ({"[NX3]([H])[CX4][CX2](=O)[OX2][H]": {1, 5, 6}}, None), # embedded amino acid
+                    "_N": ({"[NX3]([H])[CX4][CX2](=O)[OX2][H]": {5, 6}}, {"[NX3]([H])[CX4][CX2](=O)": {0}}), # N-term amino acid
+                    "_C": ({"[NX3]([H])[CX4][CX2](=O)[OX2][H]": {1}}, None), # C-term amino acid
+                }
+        elif NA or cc.rdkit_mol.GetSubstructMatch(Chem.MolFromSmarts(NA_embed_allowed_smarts)): 
+            embed_allowed_smarts = NA_embed_allowed_smarts
+            cap_allowed_smarts = "[OX2][CX4][CX4]1[OX2][CX4][CX4][CX4]1[OX2]"
+            cap_protonate = False
+            pattern_to_label_mapping_standard = {'[PX4h1]': '5-prime', '[O+0X2h1:1]': '3-prime'}
+            variant_dict = {
+                    "_":  ({"[O][PX4](=O)([O])[OX2][CX4]": {0} ,"[CX4]1[OX2][CX4][CX4][CX4]1[OX2][H]": {6}}, None), # embedded nucleotide 
+                    "_3": ({"[O][PX4](=O)([O])[OX2][CX4]": {0}}, None), # 3' end nucleotide 
+                    "_5p": ({"[CX4]1[OX2][CX4][CX4][CX4]1[OX2][H]": {6}}, None), # 5' end nucleotide (extra phosphate than canonical X5)
+                    "_5": ({"[O][PX4](=O)([O])[OX2][CX4]": {0,1,2,3}, "[CX4]1[OX2][CX4][CX4][CX4]1[OX2][H]": {6}}, {"[OX2][CX4][CX4]1[OX2][CX4][CX4][CX4]1[OX2]": {0}}), # 5' end nucleoside (canonical X5 in Amber)
+                }
+
+        editable = cc_from_cif.rdkit_mol.GetSubstructMatches(Chem.MolFromSmarts(embed_allowed_smarts))
+        if not editable:
+            logging.warning(f"Molecule doesn't contain embed_allowed_smarts: {embed_allowed_smarts} -> no templates will be made. ")
+            return None
+
+        cc_variants = []
+        for suffix in variant_dict:
+            cc = copy.deepcopy(cc_from_cif)
+            cc.resname += suffix
+            logging.info(f"*** using CCD residue {basename} to construct {cc.resname} ***")
+
+            cc = (
+                cc
+                .make_canonical(acidic_proton_loc = acidic_proton_loc_canonical) 
+                .make_embedded(allowed_smarts = embed_allowed_smarts, 
+                            leaving_smarts_loc = variant_dict[suffix][0])
+                )
+            if len(rdmolops.GetMolFrags(cc.rdkit_mol))>1:
+                logging.warning(f"Molecule breaks into fragments during the deleterious editing of {cc.resname} -> skipping the vaiant... ")
+                continue
+
+            cc = (
+                cc
+                .make_capped(allowed_smarts = cap_allowed_smarts, 
+                            capping_smarts_loc = variant_dict[suffix][1],
+                            protonate = cap_protonate) 
+                .make_pretty_smiles()
+                .make_link_labels_from_patterns(pattern_to_label_mapping = pattern_to_label_mapping_standard)
+                )
+
+            try:
+                cc.ResidueTemplate_check()
+            except Exception as e:
+                err = f"Template {cc.resname} Failed to pass ResidueTemplate check. Error: {e}"
+                logging.error(err)
+                continue
+            
+            # Check redundancy
+            if any(cc == other_variant for other_variant in cc_variants):
+                logging.error(f"Template Failed to pass redundancy check -> skipping the template... ")
+                continue
+
+            cc_variants.append(cc)
+            logging.info(f"*** finish making {cc.resname} ***")
+    return cc_variants
+
+
 # This is an Example to make standard NA templates
 def main(): 
 
diff --git a/meeko/linked_rdkit_chorizo.py b/meeko/linked_rdkit_chorizo.py
index 580f0246..0ff5181f 100644
--- a/meeko/linked_rdkit_chorizo.py
+++ b/meeko/linked_rdkit_chorizo.py
@@ -735,18 +735,38 @@ def __init__(
             all_unknown_res.update(unknown_res_from_assign)
 
             bonded_unknown_res = {res_id: all_unknown_res[res_id] for res_id in all_unknown_res if any(tup for tup in bonds if res_id in tup)}
-            if bonded_unknown_res:
-                raise ChorizoCreationError(f"Unknown residues: {bonded_unknown_res} appear to be linking fragments. " + os_linesep
-                                          + "Guessing chemical templates with linker_labels are not currently supported. ", 
-                                          "1. (to parameterize the residues) Use --add_templates to pass the additional templates with valid linker_labels, " + os_linesep
-                                          + "2. (to skip the residues) Use --delete_residues to ignore them. Residues will be deleted from the prepared receptor. ")
-
+            if bonded_unknown_res: 
+                failed_build = set()
+                for resname in bonded_unknown_res.values(): 
+                    cc_list = build_linked_CCs(resname)
+                    if not cc_list: 
+                        failed_build.add(resname)
+                    else:
+                        for cc in cc_list:
+                            fetch_template_dict = json.loads(export_chem_templates_to_json([cc]))['residue_templates'][cc.resname]
+                            residue_templates.update({cc.resname: ResidueTemplate(
+                                                        smiles = fetch_template_dict['smiles'],
+                                                        atom_names = fetch_template_dict['atom_name'],
+                                                        link_labels = {int(key): value for key,value in fetch_template_dict['link_labels'].items()})})
+                            if resname in ambiguous: 
+                                ambiguous[resname].append[cc.resname]
+                            else:
+                                ambiguous[resname] = [cc.resname]
+                            
+                if failed_build: 
+                    raise ChorizoCreationError(f"Template generation failed for unknown residues: {failed_build}, which appear to be linking fragments. " + os_linesep
+                                            + "Guessing chemical templates with linker_labels are not currently supported. ", 
+                                            "1. (to parameterize the residues) Use --add_templates to pass the additional templates with valid linker_labels, " + os_linesep
+                                            + "2. (to skip the residues) Use --delete_residues to ignore them. Residues will be deleted from the prepared receptor. ")
+
+            unbound_unknown_res = all_unknown_res.copy()
+            for key in bonded_unknown_res:
+                unbound_unknown_res.pop(key, None) 
             try: 
-                for resname in all_unknown_res.values(): 
+                for resname in unbound_unknown_res.values(): 
                     cc = build_noncovalent_CC(resname)
-                    fetch_template_dict = json.loads(export_chem_templates_to_json([cc]))['residue_templates'][resname]
-                    residue_templates.update({resname: 
-                                            ResidueTemplate(
+                    fetch_template_dict = json.loads(export_chem_templates_to_json([cc]))['residue_templates'][cc.resname]
+                    residue_templates.update({resname: ResidueTemplate(
                                                 smiles = fetch_template_dict['smiles'],
                                                 atom_names = fetch_template_dict['atom_name'],
                                                 link_labels = fetch_template_dict['link_labels'])})

From 22a078855ae23af09133ddddbe4177f58673df85 Mon Sep 17 00:00:00 2001
From: Amy He <ayhe1768@gmail.com>
Date: Sat, 19 Oct 2024 14:17:05 -0700
Subject: [PATCH 098/166] minor rewrite, make unbound templates first

---
 meeko/linked_rdkit_chorizo.py | 65 +++++++++++++++++++----------------
 1 file changed, 36 insertions(+), 29 deletions(-)

diff --git a/meeko/linked_rdkit_chorizo.py b/meeko/linked_rdkit_chorizo.py
index 0ff5181f..3dbf2053 100644
--- a/meeko/linked_rdkit_chorizo.py
+++ b/meeko/linked_rdkit_chorizo.py
@@ -735,23 +735,44 @@ def __init__(
             all_unknown_res.update(unknown_res_from_assign)
 
             bonded_unknown_res = {res_id: all_unknown_res[res_id] for res_id in all_unknown_res if any(tup for tup in bonds if res_id in tup)}
+            
+            unbound_unknown_res = all_unknown_res.copy()
+            for key in bonded_unknown_res:
+                unbound_unknown_res.pop(key, None) 
+
+            if unbound_unknown_res: 
+                try: 
+                    for resname in unbound_unknown_res.values(): 
+                        cc = build_noncovalent_CC(resname)
+                        fetch_template_dict = json.loads(export_chem_templates_to_json([cc]))['residue_templates'][cc.resname]
+                        residue_templates.update({resname: ResidueTemplate(
+                                                    smiles = fetch_template_dict['smiles'],
+                                                    atom_names = fetch_template_dict['atom_name'],
+                                                    link_labels = fetch_template_dict['link_labels'])})
+                        ambiguous[resname] = [cc.resname]
+                except Exception as e: 
+                    raise ChorizoCreationError(str(e))
+
             if bonded_unknown_res: 
                 failed_build = set()
-                for resname in bonded_unknown_res.values(): 
-                    cc_list = build_linked_CCs(resname)
-                    if not cc_list: 
-                        failed_build.add(resname)
-                    else:
-                        for cc in cc_list:
-                            fetch_template_dict = json.loads(export_chem_templates_to_json([cc]))['residue_templates'][cc.resname]
-                            residue_templates.update({cc.resname: ResidueTemplate(
-                                                        smiles = fetch_template_dict['smiles'],
-                                                        atom_names = fetch_template_dict['atom_name'],
-                                                        link_labels = {int(key): value for key,value in fetch_template_dict['link_labels'].items()})})
-                            if resname in ambiguous: 
-                                ambiguous[resname].append[cc.resname]
-                            else:
-                                ambiguous[resname] = [cc.resname]
+                try: 
+                    for resname in bonded_unknown_res.values(): 
+                        cc_list = build_linked_CCs(resname)
+                        if not cc_list: 
+                            failed_build.add(resname)
+                        else:
+                            for cc in cc_list:
+                                fetch_template_dict = json.loads(export_chem_templates_to_json([cc]))['residue_templates'][cc.resname]
+                                residue_templates.update({cc.resname: ResidueTemplate(
+                                                            smiles = fetch_template_dict['smiles'],
+                                                            atom_names = fetch_template_dict['atom_name'],
+                                                            link_labels = {int(key): value for key,value in fetch_template_dict['link_labels'].items()})})
+                                if resname in ambiguous: 
+                                    ambiguous[resname].append[cc.resname]
+                                else:
+                                    ambiguous[resname] = [cc.resname]
+                except Exception as e: 
+                    raise ChorizoCreationError(str(e))
                             
                 if failed_build: 
                     raise ChorizoCreationError(f"Template generation failed for unknown residues: {failed_build}, which appear to be linking fragments. " + os_linesep
@@ -759,20 +780,6 @@ def __init__(
                                             "1. (to parameterize the residues) Use --add_templates to pass the additional templates with valid linker_labels, " + os_linesep
                                             + "2. (to skip the residues) Use --delete_residues to ignore them. Residues will be deleted from the prepared receptor. ")
 
-            unbound_unknown_res = all_unknown_res.copy()
-            for key in bonded_unknown_res:
-                unbound_unknown_res.pop(key, None) 
-            try: 
-                for resname in unbound_unknown_res.values(): 
-                    cc = build_noncovalent_CC(resname)
-                    fetch_template_dict = json.loads(export_chem_templates_to_json([cc]))['residue_templates'][cc.resname]
-                    residue_templates.update({resname: ResidueTemplate(
-                                                smiles = fetch_template_dict['smiles'],
-                                                atom_names = fetch_template_dict['atom_name'],
-                                                link_labels = fetch_template_dict['link_labels'])})
-            except Exception as e: 
-                raise ChorizoCreationError(str(e))
-
         self.residues, self.log = self._get_residues(
             raw_input_mols,
             ambiguous,

From 3e07213e2a82bec79cd02c5713f8ed364952925a Mon Sep 17 00:00:00 2001
From: Amy He <ayhe1768@gmail.com>
Date: Sat, 19 Oct 2024 15:15:33 -0700
Subject: [PATCH 099/166] bugfix

---
 meeko/chemtempgen.py           | 23 ++++++++++-------------
 meeko/linked_rdkit_chorizo.py  |  2 +-
 meeko/test_build_linked_ccs.py |  5 +++++
 3 files changed, 16 insertions(+), 14 deletions(-)
 create mode 100644 meeko/test_build_linked_ccs.py

diff --git a/meeko/chemtempgen.py b/meeko/chemtempgen.py
index f1ff8038..9811e490 100644
--- a/meeko/chemtempgen.py
+++ b/meeko/chemtempgen.py
@@ -560,7 +560,7 @@ def fetch_from_pdb(resname: str, max_retries = 5, backoff_factor = 2) -> str:
         '[H][SX2][a]': 0, # thiophenol
     }
 
-AA_embed_allowed_smarts = "[NX3]([H])[CX4][CX2](=O)[OX2][H]"
+AA_embed_allowed_smarts = "[NX3]([H])([H])[CX4][CX3](=O)[O]"
 NA_embed_allowed_smarts = "[O][PX4](=O)([O])[OX2][CX4][CX4]1[OX2][CX4][CX4][CX4]1[OX2][H]"
 
 # Make free (noncovalent) CC
@@ -603,25 +603,22 @@ def build_linked_CCs(basename: str, AA: bool = False, NA: bool = False,
         if cc_from_cif is None:
             return None
 
-        cc = copy.deepcopy(cc_from_cif)
-        logger.info(f"*** using CCD ligand {basename} to construct residue {cc.resname} ***")
-
-        if AA or cc.rdkit_mol.GetSubstructMatch(Chem.MolFromSmarts(AA_embed_allowed_smarts)): 
+        if AA or cc_from_cif.rdkit_mol.GetSubstructMatch(Chem.MolFromSmarts(AA_embed_allowed_smarts)): 
             embed_allowed_smarts = AA_embed_allowed_smarts
-            cap_allowed_smarts = "[NX3]([H])[CX4][CX2](=O)"
+            cap_allowed_smarts = "[NX3][CX4][CX3](=O)"
             cap_protonate = True
-            pattern_to_label_mapping_standard = {'[NX3h1]': 'N-term', '[CX2h1]': 'C-term'}
+            pattern_to_label_mapping_standard = {'[NX3h1]': 'N-term', '[CX3h1]': 'C-term'}
 
             variant_dict = {
-                    "_":  ({"[NX3]([H])[CX4][CX2](=O)[OX2][H]": {1, 5, 6}}, None), # embedded amino acid
-                    "_N": ({"[NX3]([H])[CX4][CX2](=O)[OX2][H]": {5, 6}}, {"[NX3]([H])[CX4][CX2](=O)": {0}}), # N-term amino acid
-                    "_C": ({"[NX3]([H])[CX4][CX2](=O)[OX2][H]": {1}}, None), # C-term amino acid
+                    "_":  ({"[NX3]([H])([H])[CX4][CX3](=O)[O]": {1, 6}}, None), # embedded amino acid
+                    "_N": ({"[NX3]([H])([H])[CX4][CX3](=O)[O]": {6}}, {"[NX3][CX4][CX3](=O)": {0}}), # N-term amino acid
+                    "_C": ({"[NX3]([H])([H])[CX4][CX3](=O)[O]": {1}}, None), # C-term amino acid
                 }
-        elif NA or cc.rdkit_mol.GetSubstructMatch(Chem.MolFromSmarts(NA_embed_allowed_smarts)): 
+        elif NA or cc_from_cif.rdkit_mol.GetSubstructMatch(Chem.MolFromSmarts(NA_embed_allowed_smarts)): 
             embed_allowed_smarts = NA_embed_allowed_smarts
             cap_allowed_smarts = "[OX2][CX4][CX4]1[OX2][CX4][CX4][CX4]1[OX2]"
             cap_protonate = False
-            pattern_to_label_mapping_standard = {'[PX4h1]': '5-prime', '[O+0X2h1:1]': '3-prime'}
+            pattern_to_label_mapping_standard = {'[PX4h1]': '5-prime', '[O+0X2h1]': '3-prime'}
             variant_dict = {
                     "_":  ({"[O][PX4](=O)([O])[OX2][CX4]": {0} ,"[CX4]1[OX2][CX4][CX4][CX4]1[OX2][H]": {6}}, None), # embedded nucleotide 
                     "_3": ({"[O][PX4](=O)([O])[OX2][CX4]": {0}}, None), # 3' end nucleotide 
@@ -629,7 +626,7 @@ def build_linked_CCs(basename: str, AA: bool = False, NA: bool = False,
                     "_5": ({"[O][PX4](=O)([O])[OX2][CX4]": {0,1,2,3}, "[CX4]1[OX2][CX4][CX4][CX4]1[OX2][H]": {6}}, {"[OX2][CX4][CX4]1[OX2][CX4][CX4][CX4]1[OX2]": {0}}), # 5' end nucleoside (canonical X5 in Amber)
                 }
 
-        editable = cc_from_cif.rdkit_mol.GetSubstructMatches(Chem.MolFromSmarts(embed_allowed_smarts))
+        editable = cc_from_cif.rdkit_mol.GetSubstructMatch(Chem.MolFromSmarts(embed_allowed_smarts))
         if not editable:
             logging.warning(f"Molecule doesn't contain embed_allowed_smarts: {embed_allowed_smarts} -> no templates will be made. ")
             return None
diff --git a/meeko/linked_rdkit_chorizo.py b/meeko/linked_rdkit_chorizo.py
index 3dbf2053..c9debea6 100644
--- a/meeko/linked_rdkit_chorizo.py
+++ b/meeko/linked_rdkit_chorizo.py
@@ -768,7 +768,7 @@ def __init__(
                                                             atom_names = fetch_template_dict['atom_name'],
                                                             link_labels = {int(key): value for key,value in fetch_template_dict['link_labels'].items()})})
                                 if resname in ambiguous: 
-                                    ambiguous[resname].append[cc.resname]
+                                    ambiguous[resname].append(cc.resname)
                                 else:
                                     ambiguous[resname] = [cc.resname]
                 except Exception as e: 
diff --git a/meeko/test_build_linked_ccs.py b/meeko/test_build_linked_ccs.py
new file mode 100644
index 00000000..3057527c
--- /dev/null
+++ b/meeko/test_build_linked_ccs.py
@@ -0,0 +1,5 @@
+from meeko.chemtempgen import *
+basename = 'MLZ'
+cc_list = build_linked_CCs(basename)
+for cc in cc_list:
+    fetch_template_dict = json.loads(export_chem_templates_to_json([cc]))['residue_templates'][cc.resname]
\ No newline at end of file

From 096fbebf09ebd50e2e3f627be3738807a994b84e Mon Sep 17 00:00:00 2001
From: Amy He <ayhe1768@gmail.com>
Date: Sat, 19 Oct 2024 15:15:56 -0700
Subject: [PATCH 100/166] drop test file

---
 meeko/test_build_linked_ccs.py | 5 -----
 1 file changed, 5 deletions(-)
 delete mode 100644 meeko/test_build_linked_ccs.py

diff --git a/meeko/test_build_linked_ccs.py b/meeko/test_build_linked_ccs.py
deleted file mode 100644
index 3057527c..00000000
--- a/meeko/test_build_linked_ccs.py
+++ /dev/null
@@ -1,5 +0,0 @@
-from meeko.chemtempgen import *
-basename = 'MLZ'
-cc_list = build_linked_CCs(basename)
-for cc in cc_list:
-    fetch_template_dict = json.loads(export_chem_templates_to_json([cc]))['residue_templates'][cc.resname]
\ No newline at end of file

From a964846c35c4cf136940b235a078cbe8b789f9f1 Mon Sep 17 00:00:00 2001
From: Amy He <ayhe1768@gmail.com>
Date: Sat, 19 Oct 2024 15:17:41 -0700
Subject: [PATCH 101/166] avoid repeated attempts to generate for same resname

---
 meeko/linked_rdkit_chorizo.py | 4 ++--
 1 file changed, 2 insertions(+), 2 deletions(-)

diff --git a/meeko/linked_rdkit_chorizo.py b/meeko/linked_rdkit_chorizo.py
index c9debea6..7597782a 100644
--- a/meeko/linked_rdkit_chorizo.py
+++ b/meeko/linked_rdkit_chorizo.py
@@ -742,7 +742,7 @@ def __init__(
 
             if unbound_unknown_res: 
                 try: 
-                    for resname in unbound_unknown_res.values(): 
+                    for resname in set(unbound_unknown_res.values()): 
                         cc = build_noncovalent_CC(resname)
                         fetch_template_dict = json.loads(export_chem_templates_to_json([cc]))['residue_templates'][cc.resname]
                         residue_templates.update({resname: ResidueTemplate(
@@ -756,7 +756,7 @@ def __init__(
             if bonded_unknown_res: 
                 failed_build = set()
                 try: 
-                    for resname in bonded_unknown_res.values(): 
+                    for resname in set(bonded_unknown_res.values()): 
                         cc_list = build_linked_CCs(resname)
                         if not cc_list: 
                             failed_build.add(resname)

From e1019e5be04ceeffca273283be48483714be8e43 Mon Sep 17 00:00:00 2001
From: Amy He <ayhe1768@gmail.com>
Date: Sat, 19 Oct 2024 15:30:31 -0700
Subject: [PATCH 102/166] improve remove_atoms_with_mapping

---
 meeko/linked_rdkit_chorizo.py | 11 +++++------
 1 file changed, 5 insertions(+), 6 deletions(-)

diff --git a/meeko/linked_rdkit_chorizo.py b/meeko/linked_rdkit_chorizo.py
index 7597782a..be997b23 100644
--- a/meeko/linked_rdkit_chorizo.py
+++ b/meeko/linked_rdkit_chorizo.py
@@ -2330,12 +2330,11 @@ def remove_atoms_with_mapping(product: Chem.Mol, mapping_numbers: set) -> Chem.M
     """Remove atoms with specific atom mapping numbers from a molecule."""
     editable_product = Chem.RWMol(product)
 
-    atoms_to_remove = []
-    for atom in editable_product.GetAtoms():
-        if atom.HasProp("molAtomMapNumber"):
-            map_num = int(atom.GetProp("molAtomMapNumber"))
-            if map_num in mapping_numbers:
-                atoms_to_remove.append(atom.GetIdx())
+    atoms_to_remove = [
+        atom.GetIdx() 
+        for atom in editable_product.GetAtoms() 
+        if atom.HasProp("molAtomMapNumber") and int(atom.GetProp("molAtomMapNumber")) in mapping_numbers
+    ]
     for idx in sorted(atoms_to_remove, reverse=True):
         editable_product.RemoveAtom(idx)
     

From e4dd8b0979a99b1724310ef384257c833ff5132a Mon Sep 17 00:00:00 2001
From: Amy He <ayhe1768@gmail.com>
Date: Mon, 21 Oct 2024 16:34:08 -0700
Subject: [PATCH 103/166] generalize get_updated_positions

---
 meeko/linked_rdkit_chorizo.py | 76 +++++++++--------------------------
 1 file changed, 20 insertions(+), 56 deletions(-)

diff --git a/meeko/linked_rdkit_chorizo.py b/meeko/linked_rdkit_chorizo.py
index a470a685..6b6a1e75 100644
--- a/meeko/linked_rdkit_chorizo.py
+++ b/meeko/linked_rdkit_chorizo.py
@@ -350,12 +350,11 @@ def get_updated_positions(residue, new_positions: dict):
     set of new_positions. Hydrogens not specified in new_positions will
     have their position reset by RDKit if they satisfy either A or B defined
     below. n1 is the heavy atom that the hydrogen is bonded two, and n2 is
-    another heavy atom bonded to n1 (i.e., two bonds aways from the hydrogen).
+    another atom bonded to n1 (i.e., two bonds aways from the hydrogen).
     Conditions:
-      (A) max one n2 absent from new_positions, and n1 is in new_positions
-      (B) max one n2 absent from new_positions, and at least one n2 in
-      new_positions, and if there is an n2 absent from new_positions the bond
-      between n1 and that n2 must be rotatable
+      (A) n1 is in new_positions
+      (B) n1 is not in a new_position, but the hydrogens need to undergo
+      induced re-arrangement because n2 is in new_positions
 
     Parameters
     ----------
@@ -367,61 +366,26 @@ def get_updated_positions(residue, new_positions: dict):
                                 new_position
     """
 
-    h_to_update = []
+    h_to_update = set()
     mol = Chem.Mol(residue.rdkit_mol)  # avoids side effects
     conformer = mol.GetConformer()
-    idx_to_molsetup = {j: i for i, j in residue.molsetup_mapidx.items()}
-    for atom in mol.GetAtoms():
-        index = atom.GetIdx()
-        if atom.GetAtomicNum() != 1 or index in new_positions:
-            continue
-        to_update = False
-        # n1 -> neighbor
-        # n2 -> neighbor of neighbor
-        if len(atom.GetNeighbors()) != 1:
-            raise RuntimeError("expected hydrogen to have exactly 1 neighbor")
-        n1 = atom.GetNeighbors()[0]
-        num_n2_in_new = 0
-        num_n2_not_in_new = 0
-        num_n2_not_in_new_rotatable = 0
-        n1_in_new = False
-        if n1.GetIdx() in new_positions:
-            n1_in_new = True
+
+    for n1 in (mol.GetAtomWithIdx(idx) for idx in new_positions):
         for n2 in n1.GetNeighbors():
-            # n2 could be same as atom (circle back) but
-            # continue statements above and below prevent trouble
-            if n2.GetAtomicNum() == 1:
-                continue
-            num_n2_in_new += n2.GetIdx() in new_positions
-            if not n2.GetIdx() in new_positions:
-                num_n2_not_in_new += 1
-                i = idx_to_molsetup[n1.GetIdx()]
-                j = idx_to_molsetup[n2.GetIdx()]
-                bond_id = (min(i, j), max(i, j))
-                rotatable = residue.molsetup.bond_info[bond_id].rotatable
-                num_n2_not_in_new_rotatable += rotatable
-        # link atom same as not_in_new (even if blunt, to keep simple)
-        if n1.GetTotalNumHs(includeNeighbors=False):
-            num_n2_not_in_new += 1
-
-        # condition A
-        if n1_in_new and num_n2_not_in_new <= 1:
-            h_to_update.append(index)
-        # condition B
-        elif (
-            num_n2_in_new > 0 and
-            num_n2_not_in_new <= 1 and
-            num_n2_not_in_new_rotatable == num_n2_not_in_new
-        ):
-            h_to_update.append(index)
-    for atom in mol.GetAtoms():
-        index = atom.GetIdx()
-        if index in new_positions:
-            x, y, z = new_positions[index]
-            p = Point3D(float(x), float(y), float(z))
-            conformer.SetAtomPosition(index, p)
+            if n2.GetAtomicNum() == 1: # n1h: n1's hydrogens 
+                h_to_update.add(n2.GetIdx())
+                # updating all n1h is forced 
+            else:
+                if n2 not in new_positions: 
+                    h_to_update.update(set(n2h.GetIdx() for n2h in n2.GetNeibors() if n2h.AtomicNum() == 1))
+                    # n1-induced updating of n2h 
+
+    for index in new_positions:
+        x, y, z = new_positions[index]
+        p = Point3D(float(x), float(y), float(z))
+        conformer.SetAtomPosition(index, p)
     if h_to_update:
-        update_H_positions(mol, h_to_update)
+        update_H_positions(mol, list(h_to_update))
     return mol.GetConformer().GetPositions()
 
 

From b88c83da2565c129516fd9e1e9a58e8d1b750cdc Mon Sep 17 00:00:00 2001
From: Amy He <ayhe1768@gmail.com>
Date: Mon, 21 Oct 2024 16:40:24 -0700
Subject: [PATCH 104/166] fix typo

---
 meeko/linked_rdkit_chorizo.py | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/meeko/linked_rdkit_chorizo.py b/meeko/linked_rdkit_chorizo.py
index 6b6a1e75..1d680fa3 100644
--- a/meeko/linked_rdkit_chorizo.py
+++ b/meeko/linked_rdkit_chorizo.py
@@ -377,7 +377,7 @@ def get_updated_positions(residue, new_positions: dict):
                 # updating all n1h is forced 
             else:
                 if n2 not in new_positions: 
-                    h_to_update.update(set(n2h.GetIdx() for n2h in n2.GetNeibors() if n2h.AtomicNum() == 1))
+                    h_to_update.update(set(n2h.GetIdx() for n2h in n2.GetNeighbors() if n2h.AtomicNum() == 1))
                     # n1-induced updating of n2h 
 
     for index in new_positions:

From 700ed89b8e3b2c1668b8699db730738e4bdeb23d Mon Sep 17 00:00:00 2001
From: Amy He <ayhe1768@gmail.com>
Date: Mon, 21 Oct 2024 16:45:40 -0700
Subject: [PATCH 105/166] fix typos

---
 meeko/linked_rdkit_chorizo.py | 5 ++---
 1 file changed, 2 insertions(+), 3 deletions(-)

diff --git a/meeko/linked_rdkit_chorizo.py b/meeko/linked_rdkit_chorizo.py
index 1d680fa3..ed151874 100644
--- a/meeko/linked_rdkit_chorizo.py
+++ b/meeko/linked_rdkit_chorizo.py
@@ -376,8 +376,8 @@ def get_updated_positions(residue, new_positions: dict):
                 h_to_update.add(n2.GetIdx())
                 # updating all n1h is forced 
             else:
-                if n2 not in new_positions: 
-                    h_to_update.update(set(n2h.GetIdx() for n2h in n2.GetNeighbors() if n2h.AtomicNum() == 1))
+                if n2.GetIdx() not in new_positions: 
+                    h_to_update.update(set(n2h.GetIdx() for n2h in n2.GetNeighbors() if n2h.GetAtomicNum() == 1))
                     # n1-induced updating of n2h 
 
     for index in new_positions:
@@ -389,7 +389,6 @@ def get_updated_positions(residue, new_positions: dict):
     return mol.GetConformer().GetPositions()
 
 
-
 def update_H_positions(mol: Chem.Mol, indices_to_update: list[int]) -> None:
     """
     Re-calculates the position of some hydrogens already existing in the mol. Does not guarantee that chirality can be

From f464d7f4e7f2353bc444d67b0e808a1fa9964813 Mon Sep 17 00:00:00 2001
From: Amy He <ayhe1768@gmail.com>
Date: Mon, 21 Oct 2024 18:41:14 -0700
Subject: [PATCH 106/166] small fixes for elements when ComputeGasteigerCharges
 returns NaN

---
 meeko/molsetup.py    | 1 +
 meeko/preparation.py | 2 +-
 2 files changed, 2 insertions(+), 1 deletion(-)

diff --git a/meeko/molsetup.py b/meeko/molsetup.py
index 2393c1ea..19935c12 100644
--- a/meeko/molsetup.py
+++ b/meeko/molsetup.py
@@ -1653,6 +1653,7 @@ def init_atom(self, assign_charges: bool, coords: list[np.ndarray]):
                     atom.SetAtomicNum(16)
             rdPartialCharges.ComputeGasteigerCharges(copy_mol)
             charges = [a.GetDoubleProp("_GasteigerCharge") for a in copy_mol.GetAtoms()]
+            charges = [1e-6 if np.isnan(x) else x for x in charges]
         else:
             charges = [0.0] * self.mol.GetNumAtoms()
         # register atom
diff --git a/meeko/preparation.py b/meeko/preparation.py
index 7b10710f..51619bc8 100644
--- a/meeko/preparation.py
+++ b/meeko/preparation.py
@@ -170,7 +170,7 @@ def __init__(
         self.dihedral_model = dihedral_model
         self.dihedral_params = dihedral_list
 
-        if dihedral_model == "espaloma" or charge_model == "espaloma":
+        if dihedral_model == "espaloma" or charge_model in ["espaloma", "zero"]:
             self.espaloma_model = EspalomaTyper()
 
         self.reactive_smarts = reactive_smarts

From 2de9aaa0130acac1330258099fcccc564a8d25c0 Mon Sep 17 00:00:00 2001
From: diogom <diogom@scripps.edu>
Date: Mon, 21 Oct 2024 22:23:33 -0700
Subject: [PATCH 107/166] add forgotten file export_flexres.py

---
 meeko/export_flexres.py | 76 +++++++++++++++++++++++++++++++++++++++++
 1 file changed, 76 insertions(+)
 create mode 100644 meeko/export_flexres.py

diff --git a/meeko/export_flexres.py b/meeko/export_flexres.py
new file mode 100644
index 00000000..0b70baff
--- /dev/null
+++ b/meeko/export_flexres.py
@@ -0,0 +1,76 @@
+from rdkit import Chem
+from rdkit.Chem import rdDetermineBonds
+from rdkit.Geometry import Point3D
+from .utils.utils import parse_begin_res
+from .utils.utils import mini_periodic_table
+
+
+mini_periodic_table = {v: k for k, v in mini_periodic_table.items()}
+
+def sidechain_to_mol(pdbqt_atoms):
+    positions = []
+    mol = Chem.EditableMol(Chem.Mol())
+    mol.BeginBatchEdit()
+    for row in pdbqt_atoms:
+        # the first character of the PDB atom name seems to be the most
+        # reliable way to get the element from PDBQT files written by
+        # meeko or mgltools
+        if len(row["name"]) > 1 and row["name"][0].isdecimal():
+            element = row["name"][1]
+        elif len(row["name"]) > 0:
+            element = row["name"][0] 
+        atomic_nr = mini_periodic_table[element]
+        atom = Chem.Atom(atomic_nr)
+        mol.AddAtom(atom)
+        x, y, z = row["xyz"]
+        positions.append(Point3D(float(x), float(y), float(z)))
+    mol.CommitBatchEdit()
+    mol = mol.GetMol()
+    conformer = Chem.Conformer(mol.GetNumAtoms())
+    for index, position in enumerate(positions):
+        conformer.SetAtomPosition(index, position)
+    mol.AddConformer(conformer, assignId=True)
+    rdDetermineBonds.DetermineConnectivity(mol)
+    Chem.SanitizeMol(mol)
+    return mol
+
+def export_pdb_updated_flexres(chorizo, pdbqt_mol):
+    flexres_id = pdbqt_mol._pose_data["mol_index_to_flexible_residue"]
+    new_positions = {}
+    for mol_idx, atom_idxs in pdbqt_mol._atom_annotations["mol_index"].items():
+        if flexres_id[mol_idx] is not None:
+            res_id = parse_begin_res(flexres_id[mol_idx])
+            atoms = pdbqt_mol.atoms(atom_idxs)
+            molsetup_to_pdbqt = pdbqt_mol._pose_data["index_map"][mol_idx]
+            molsetup_to_template = chorizo.residues[res_id].molsetup_mapidx
+            template_to_molsetup = {j: i for i, j in molsetup_to_template.items()}
+
+            # use index_map stored in PDBQT REMARK
+            if molsetup_to_pdbqt:
+                template_to_pdbqt = {}
+                for i, j in molsetup_to_pdbqt.items():
+                    template_to_pdbqt[molsetup_to_template[i - 1]] = j - 1
+
+            # use chorizo template to match sidechain
+            else:
+                mol = sidechain_to_mol(atoms)
+                key = chorizo.residues[res_id].residue_template_key
+                template = chorizo.residue_chem_templates.residue_templates[key]
+                _, template_to_pdbqt = template.match(mol)
+
+            sidechain_positions = {}
+            molsetup_matched = set()
+            for i, j in template_to_pdbqt.items():
+                molsetup_matched.add(template_to_molsetup[i])
+                sidechain_positions[i] = tuple(atoms["xyz"][j])
+            if len(molsetup_matched) != len(template_to_pdbqt):
+                raise RuntimeError(f"{len(molsetup_matched)} {len(template_to_pdbqt)=}")
+            is_flexres_atom = chorizo.residues[res_id].is_flexres_atom 
+            hit_count = sum([is_flexres_atom[i] for i in molsetup_matched])
+            if hit_count != len(molsetup_matched):
+                raise RuntimeError(f"{hit_count=} {len(molsetup_matched)=}")
+            if hit_count != sum(is_flexres_atom):
+                raise RuntimeError(f"{hit_count=} {sum(is_flexres_atom)=}")
+            new_positions[res_id] = sidechain_positions
+    pdbstr = chorizo.to_pdb(new_positions)
+    return pdbstr

From 6b9e9658babddca3633e9744459026524adc8e79 Mon Sep 17 00:00:00 2001
From: diogom <diogom@scripps.edu>
Date: Mon, 21 Oct 2024 23:23:34 -0700
Subject: [PATCH 108/166] remove rdkit update of H that exist in docked flexres

---
 meeko/linked_rdkit_chorizo.py | 18 +++++++-----------
 1 file changed, 7 insertions(+), 11 deletions(-)

diff --git a/meeko/linked_rdkit_chorizo.py b/meeko/linked_rdkit_chorizo.py
index ed151874..f23a6294 100644
--- a/meeko/linked_rdkit_chorizo.py
+++ b/meeko/linked_rdkit_chorizo.py
@@ -348,13 +348,8 @@ def get_updated_positions(residue, new_positions: dict):
     """
     Returns full set of positions for the rdkit_mol in residue given a partial
     set of new_positions. Hydrogens not specified in new_positions will
-    have their position reset by RDKit if they satisfy either A or B defined
-    below. n1 is the heavy atom that the hydrogen is bonded two, and n2 is
-    another atom bonded to n1 (i.e., two bonds aways from the hydrogen).
-    Conditions:
-      (A) n1 is in new_positions
-      (B) n1 is not in a new_position, but the hydrogens need to undergo
-      induced re-arrangement because n2 is in new_positions
+    have their position reset by RDKit if they are one or two bonds away
+    from an atom in new_positions.
 
     Parameters
     ----------
@@ -372,13 +367,14 @@ def get_updated_positions(residue, new_positions: dict):
 
     for n1 in (mol.GetAtomWithIdx(idx) for idx in new_positions):
         for n2 in n1.GetNeighbors():
-            if n2.GetAtomicNum() == 1: # n1h: n1's hydrogens 
+            if n2.GetAtomicNum() == 1:  # 1 bond away
                 h_to_update.add(n2.GetIdx())
-                # updating all n1h is forced 
             else:
-                if n2.GetIdx() not in new_positions: 
+                if n2.GetIdx() not in new_positions:  # 2 bonds away
                     h_to_update.update(set(n2h.GetIdx() for n2h in n2.GetNeighbors() if n2h.GetAtomicNum() == 1))
-                    # n1-induced updating of n2h 
+
+    # hydrogens in new_positions shall not be updated by RDKit
+    h_to_update -= set(new_positions)
 
     for index in new_positions:
         x, y, z = new_positions[index]

From 05ec1a018cbd796418d254569c11dbd7a7105eed Mon Sep 17 00:00:00 2001
From: Amy He <ayhe1768@gmail.com>
Date: Mon, 21 Oct 2024 23:55:19 -0700
Subject: [PATCH 109/166] introduce recharge in chemtemgen to fake dative

---
 meeko/chemtempgen.py | 143 ++++++++++++++++++++++++++++++-------------
 1 file changed, 99 insertions(+), 44 deletions(-)

diff --git a/meeko/chemtempgen.py b/meeko/chemtempgen.py
index 9811e490..fe9f345c 100644
--- a/meeko/chemtempgen.py
+++ b/meeko/chemtempgen.py
@@ -189,7 +189,7 @@ def get_max_Hid(mol: Chem.Mol) -> int:
     return rwmol.GetMol()
 
 
-def deprotonate(mol, acidic_proton_loc: dict[str, int] = None) -> Chem.Mol:
+def deprotonate(mol: Chem.Mol, acidic_proton_loc: dict[str, int] = None) -> Chem.Mol:
     """Remove acidic protons from the molecule based on acidic_proton_loc"""
     # acidic_proton_loc is a mapping 
     # keys: smarts pattern of a fragment
@@ -222,6 +222,66 @@ def deprotonate(mol, acidic_proton_loc: dict[str, int] = None) -> Chem.Mol:
     return rwmol.GetMol()
 
 
+def recharge(rwmol: Chem.RWMol) -> Chem.RWMol: 
+    # Recharging metal complexes
+    metal_AtomicNums = {12, 20, 25, 26, 30}  # Mg: 12, Ca: 20, Mn: 25, Fe: 26, Zn: 30
+    metal_atoms = set(atom for atom in rwmol.GetAtoms() if atom.GetAtomicNum() in metal_AtomicNums)
+    ligation_valence = {v: k for k, v_set in {
+            1: {1, 9, 17, 53}, # monovalent: H, halogens
+            2: {8, 16}, # divalent: O, S
+            3: {7, 15}, # trivalent: N, P (phospine)
+            4: {6}, # tetravalent carbon
+            }.items() for v in v_set}
+    bond_order_mapping = {
+        Chem.BondType.SINGLE: 1,
+        Chem.BondType.DOUBLE: 2,
+        Chem.BondType.TRIPLE: 3,
+        Chem.BondType.AROMATIC: 1.5  
+    }
+
+    if not metal_atoms: 
+        return rwmol
+    else:
+        # Method a: If charge is ignored at metal center
+        # -> charge up ligated atoms 
+        # (metal ox state will be interpreted from valence of ligated atom)
+        ligated_atoms = set(atom for metal in metal_atoms for atom in metal.GetNeighbors() )
+        #if 1:
+        if any(atom.GetFormalCharge() == 0 for atom in metal_atoms): 
+            logging.warning(f"Molecule contains metal with unspecified charge state -> neutralizing metalas and recharging ligated atoms... ")
+            for atom in metal_atoms: 
+                atom.SetFormalCharge(0)
+            for atom in ligated_atoms: 
+                bond_sum = sum(bond_order_mapping.get(bond.GetBondType(), 0) for bond in atom.GetBonds())
+                atom.SetFormalCharge(bond_sum - ligation_valence[atom.GetAtomicNum()])
+  
+        # Method b: If charge (ox) state is specified for all metal centers
+        # -> ionize (break bonds w/) and charge down ligated atoms
+        # (metal ox state will be from input charge state)
+        else: 
+            logging.warning(f"Molecule contains metal specified charge state -> recharing ligated atoms... ")
+            metal_to_nonmetal_neighbors = {metal: {atom for atom in metal.GetNeighbors() 
+                                           if atom.GetAtomicNum() not in metal_AtomicNums} for metal in metal_atoms}
+            metal_bonds = {bond.GetIdx(): (bond.GetBeginAtomIdx(), bond.GetEndAtomIdx()) 
+                               for metal in metal_atoms for bond in metal.GetBonds()}
+
+            for bond_idx in sorted(metal_bonds, reverse=True):
+                rwmol.RemoveBond(metal_bonds[bond_idx][0], metal_bonds[bond_idx][1])
+
+            for atom in ligated_atoms: 
+                bond_sum = sum(bond_order_mapping.get(bond.GetBondType(), 0) for bond in atom.GetBonds())
+                atom.SetFormalCharge(bond_sum - ligation_valence[atom.GetAtomicNum()])
+
+            # to avoid fragmentation, rebuild all metal-nonmetal bonds
+            for metal in metal_atoms: 
+                for nei in metal_to_nonmetal_neighbors[metal]:
+                    rwmol.AddBond(metal.GetIdx(), nei.GetIdx(), Chem.BondType.SINGLE)
+                    metal.SetFormalCharge(metal.GetFormalCharge() - 1)
+                    nei.SetFormalCharge(nei.GetFormalCharge() + 1)
+
+    return rwmol
+
+
 # Attribute Formatters
 def get_smiles_with_atom_names(mol: Chem.Mol) -> tuple[str, list[str]]:
     """Generate SMILES with atom names in the order of SMILES output."""
@@ -360,6 +420,15 @@ def from_cif(cls, source_cif: str, resname: str):
         bond_table = block.find(bond_category, bond_attributes)
         bond_cols = {attr: bond_table.find_column(f"{bond_category}{attr}") for attr in bond_attributes}
 
+        # Populate bond table
+        bond_category = '_chem_comp_bond.'
+        bond_attributes = ['atom_id_1', # atom name 1
+                           'atom_id_2', # atom name 2
+                           'value_order', # bond order
+                           ]
+        bond_table = block.find(bond_category, bond_attributes)
+        bond_cols = {attr: bond_table.find_column(f"{bond_category}{attr}") for attr in bond_attributes}
+
         # Connect atoms by bonds
         bond_type_mapping = {
             'SING': Chem.BondType.SINGLE,
@@ -374,6 +443,13 @@ def from_cif(cls, source_cif: str, resname: str):
                           name_to_idx_mapping[bond_cols['atom_id_2'][bond_i].strip('"')], 
                           bond_type_mapping.get(bond_type, Chem.BondType.UNSPECIFIED))
 
+        # Try recharging mol (for metals)
+        try:
+            rwmol = recharge(rwmol)
+        except Exception as e:
+            logging.error(f"Failed to recharge rdkitmol. Error: {e} -> template for {resname} will be None. ")
+            return None
+
         # Finish eidting mol 
         try:    
             rwmol.UpdatePropertyCache()
@@ -673,7 +749,7 @@ def build_linked_CCs(basename: str, AA: bool = False, NA: bool = False,
     return cc_variants
 
 
-# This is an Example to make standard NA templates
+# This is an Example to make Fe-containing templates
 def main(): 
 
     # """Download components.cif"""
@@ -683,19 +759,19 @@ def main():
     #    print(f"Unable to download components.cif from files.wwpdb.org")
     #    sys.exit(2)
 
-    """Download components.cif"""
-    url = "https://files.wwpdb.org/pub/pdb/data/monomers/components.cif"
+    # """Download components.cif"""
+    # url = "https://files.wwpdb.org/pub/pdb/data/monomers/components.cif"
     source_cif = file_path = "components.cif"
-
-    try:
-        urllib.request.urlretrieve(url, file_path)
-        logging.info(f"File downloaded successfully: {file_path}")
-    except Exception as e:
-        logging.error(f"Failed to download file. Error: {e}")
+ 
+    # try:
+    #     urllib.request.urlretrieve(url, file_path)
+    #     logging.info(f"File downloaded successfully: {file_path}")
+    # except Exception as e:
+    #     logging.error(f"Failed to download file. Error: {e}")
 
     """Make chemical templates"""
-    basenames = ['A', 'U', 'C', 'G', 'DA', 'DT', 'DC', 'DG']
-    NA_ccs = []
+    basenames = ['HEM', 'FDD', '0UE', 'FES']
+    my_ccs = []
 
     acidic_proton_loc_canonical = {
         # any carboxylic acid, sulfuric/sulfonic acid/ester, phosphoric/phosphinic acid/ester
@@ -706,43 +782,22 @@ def main():
     } | {
         '[H][SX2][a]': 0, # thiophenol
     } 
-    embed_allowed_smarts = "[O][PX4](=O)([O])[OX2][CX4][CX4]1[OX2][CX4][CX4][CX4]1[OX2][H]"
-    cap_allowed_smarts = "[OX2][CX4][CX4]1[OX2][CX4][CX4][CX4]1[OX2]"
-    pattern_to_label_mapping_standard = {'[PX4h1]': '5-prime', '[O+0X2h1]': '3-prime'}
-
-    variant_recipe = {
-        # embedded nucleotide 
-        "":  ({"[O][PX4](=O)([O])[OX2][CX4]": {0} ,"[CX4]1[OX2][CX4][CX4][CX4]1[OX2][H]": {6}}, None), 
-        # 3' end nucleotide 
-        "3": ({"[O][PX4](=O)([O])[OX2][CX4]": {0}}, None), 
-        # 5' end nucleotide (extra phosphate than canonical X5)
-        "5p": ({"[CX4]1[OX2][CX4][CX4][CX4]1[OX2][H]": {6}}, None), 
-        # 5' end nucleoside (canonical X5 in Amber)
-        "5": ({"[O][PX4](=O)([O])[OX2][CX4]": {0,1,2,3}, "[CX4]1[OX2][CX4][CX4][CX4]1[OX2][H]": {6}}, {"[OX2][CX4][CX4]1[OX2][CX4][CX4][CX4]1[OX2]": {0}}), 
-    }
 
     for basename in basenames:
-        for suffix in variant_recipe:
-            cc = ChemicalComponent.from_cif(source_cif, basename)
-            cc.resname += suffix
-            print(f"*** using CCD residue {basename} to construct {cc.resname} ***")
-
-            cc = (
-                cc
-                .make_canonical(acidic_proton_loc = acidic_proton_loc_canonical)
-                .make_embedded(allowed_smarts = embed_allowed_smarts, 
-                               leaving_smarts_loc = variant_recipe[suffix][0])
-                .make_capped(allowed_smarts = cap_allowed_smarts, 
-                             capping_smarts_loc = variant_recipe[suffix][1]) 
-                .make_pretty_smiles()
-                .make_link_labels_from_patterns(pattern_to_label_mapping = pattern_to_label_mapping_standard)
-                )
+        cc = ChemicalComponent.from_cif(source_cif, basename)
+        print(f"*** using CCD residue {basename} to construct {cc.resname} ***")
+        print(cc.smiles_exh)
+        cc = (
+            cc
+            .make_canonical(acidic_proton_loc = acidic_proton_loc_canonical)
+            # .make_pretty_smiles()
+            )
 
-            print(f"*** finish making {cc.resname} ***")
-            NA_ccs.append(cc)
+        print(f"*** finish making {cc.resname} ***")
+        my_ccs.append(cc)
 
     """Export to one json file"""
-    export_chem_templates_to_json(NA_ccs, 'standard_NA_templates.json')
+    export_chem_templates_to_json(my_ccs, 'my_templates.json')
 
 
 if __name__ == '__main__':

From 4639572850e911179fab919c443b06a2d7fe1ffa Mon Sep 17 00:00:00 2001
From: Amy He <ayhe1768@gmail.com>
Date: Tue, 22 Oct 2024 00:05:21 -0700
Subject: [PATCH 110/166] delete main() from chemtempgen

---
 meeko/chemtempgen.py | 55 --------------------------------------------
 1 file changed, 55 deletions(-)

diff --git a/meeko/chemtempgen.py b/meeko/chemtempgen.py
index fe9f345c..6a318143 100644
--- a/meeko/chemtempgen.py
+++ b/meeko/chemtempgen.py
@@ -749,59 +749,4 @@ def build_linked_CCs(basename: str, AA: bool = False, NA: bool = False,
     return cc_variants
 
 
-# This is an Example to make Fe-containing templates
-def main(): 
-
-    # """Download components.cif"""
-    # import subprocess, sys
-    # result = subprocess.run(["curl", "https://files.wwpdb.org/pub/pdb/data/monomers/components.cif"], capture_output=True, text=True)
-    # if result.returncode != 0:
-    #    print(f"Unable to download components.cif from files.wwpdb.org")
-    #    sys.exit(2)
-
-    # """Download components.cif"""
-    # url = "https://files.wwpdb.org/pub/pdb/data/monomers/components.cif"
-    source_cif = file_path = "components.cif"
- 
-    # try:
-    #     urllib.request.urlretrieve(url, file_path)
-    #     logging.info(f"File downloaded successfully: {file_path}")
-    # except Exception as e:
-    #     logging.error(f"Failed to download file. Error: {e}")
-
-    """Make chemical templates"""
-    basenames = ['HEM', 'FDD', '0UE', 'FES']
-    my_ccs = []
-
-    acidic_proton_loc_canonical = {
-        # any carboxylic acid, sulfuric/sulfonic acid/ester, phosphoric/phosphinic acid/ester
-        '[H][O]['+atom+'](=O)': 0 for atom in ('CX3', 'SX4', 'SX3', 'PX4', 'PX3')
-    } | {
-        # any thio carboxylic/sulfuric acid
-        '[H][O]['+atom+'](=S)': 0 for atom in ('CX3', 'SX4')
-    } | {
-        '[H][SX2][a]': 0, # thiophenol
-    } 
-
-    for basename in basenames:
-        cc = ChemicalComponent.from_cif(source_cif, basename)
-        print(f"*** using CCD residue {basename} to construct {cc.resname} ***")
-        print(cc.smiles_exh)
-        cc = (
-            cc
-            .make_canonical(acidic_proton_loc = acidic_proton_loc_canonical)
-            # .make_pretty_smiles()
-            )
-
-        print(f"*** finish making {cc.resname} ***")
-        my_ccs.append(cc)
-
-    """Export to one json file"""
-    export_chem_templates_to_json(my_ccs, 'my_templates.json')
-
-
-if __name__ == '__main__':
-    main()
-
-
 # XXX read from prepared? enumerate in stepwise? all protonation state variants, alter charge and update smiles/idx
\ No newline at end of file

From 58fc88d2ba1c67bd978274bda3723c522f8d70bd Mon Sep 17 00:00:00 2001
From: Amy He <ayhe1768@gmail.com>
Date: Tue, 22 Oct 2024 01:29:45 -0700
Subject: [PATCH 111/166] improve warning msg, print total charge after
 recharging

---
 meeko/chemtempgen.py | 26 +++++++++++++++-----------
 1 file changed, 15 insertions(+), 11 deletions(-)

diff --git a/meeko/chemtempgen.py b/meeko/chemtempgen.py
index 6a318143..7302d670 100644
--- a/meeko/chemtempgen.py
+++ b/meeko/chemtempgen.py
@@ -226,7 +226,7 @@ def recharge(rwmol: Chem.RWMol) -> Chem.RWMol:
     # Recharging metal complexes
     metal_AtomicNums = {12, 20, 25, 26, 30}  # Mg: 12, Ca: 20, Mn: 25, Fe: 26, Zn: 30
     metal_atoms = set(atom for atom in rwmol.GetAtoms() if atom.GetAtomicNum() in metal_AtomicNums)
-    ligation_valence = {v: k for k, v_set in {
+    coord_valence = {v: k for k, v_set in {
             1: {1, 9, 17, 53}, # monovalent: H, halogens
             2: {8, 16}, # divalent: O, S
             3: {7, 15}, # trivalent: N, P (phospine)
@@ -243,23 +243,25 @@ def recharge(rwmol: Chem.RWMol) -> Chem.RWMol:
         return rwmol
     else:
         # Method a: If charge is ignored at metal center
-        # -> charge up ligated atoms 
-        # (metal ox state will be interpreted from valence of ligated atom)
-        ligated_atoms = set(atom for metal in metal_atoms for atom in metal.GetNeighbors() )
+        # -> charge up coordinated atoms 
+        # (metal ox state will be interpreted from valence of coordinated atom)
+        coordinated_atoms = set(atom for metal in metal_atoms for atom in metal.GetNeighbors() )
         #if 1:
         if any(atom.GetFormalCharge() == 0 for atom in metal_atoms): 
-            logging.warning(f"Molecule contains metal with unspecified charge state -> neutralizing metalas and recharging ligated atoms... ")
+            logging.warning(f"Molecule contains metal with unspecified charge state -> charging coordinated atoms...")
+            logging.warning(f"All metals will be neutralized and the coordinated atoms will be charged according to their explicit valence. ")
             for atom in metal_atoms: 
                 atom.SetFormalCharge(0)
-            for atom in ligated_atoms: 
+            for atom in coordinated_atoms: 
                 bond_sum = sum(bond_order_mapping.get(bond.GetBondType(), 0) for bond in atom.GetBonds())
-                atom.SetFormalCharge(bond_sum - ligation_valence[atom.GetAtomicNum()])
+                atom.SetFormalCharge(bond_sum - coord_valence[atom.GetAtomicNum()])
   
         # Method b: If charge (ox) state is specified for all metal centers
-        # -> ionize (break bonds w/) and charge down ligated atoms
+        # -> ionize (break bonds w/) and charge down coordinated atoms
         # (metal ox state will be from input charge state)
         else: 
-            logging.warning(f"Molecule contains metal specified charge state -> recharing ligated atoms... ")
+            logging.warning(f"Molecule contains metal specified charge state -> ionizing metal-nonmental coordinated bonds...")
+            logging.warning(f"All metal-nonmental coordinate bonds will be polarized. ")
             metal_to_nonmetal_neighbors = {metal: {atom for atom in metal.GetNeighbors() 
                                            if atom.GetAtomicNum() not in metal_AtomicNums} for metal in metal_atoms}
             metal_bonds = {bond.GetIdx(): (bond.GetBeginAtomIdx(), bond.GetEndAtomIdx()) 
@@ -268,9 +270,9 @@ def recharge(rwmol: Chem.RWMol) -> Chem.RWMol:
             for bond_idx in sorted(metal_bonds, reverse=True):
                 rwmol.RemoveBond(metal_bonds[bond_idx][0], metal_bonds[bond_idx][1])
 
-            for atom in ligated_atoms: 
+            for atom in coordinated_atoms: 
                 bond_sum = sum(bond_order_mapping.get(bond.GetBondType(), 0) for bond in atom.GetBonds())
-                atom.SetFormalCharge(bond_sum - ligation_valence[atom.GetAtomicNum()])
+                atom.SetFormalCharge(bond_sum - coord_valence[atom.GetAtomicNum()])
 
             # to avoid fragmentation, rebuild all metal-nonmetal bonds
             for metal in metal_atoms: 
@@ -279,6 +281,8 @@ def recharge(rwmol: Chem.RWMol) -> Chem.RWMol:
                     metal.SetFormalCharge(metal.GetFormalCharge() - 1)
                     nei.SetFormalCharge(nei.GetFormalCharge() + 1)
 
+        logging.warning(f"Total charge of the molecule after recharging: {sum(atom.GetFormalCharge() for atom in rwmol.GetAtoms())}")
+
     return rwmol
 
 

From 6f4be83ff07a0be9ba465497e7ccc1403313f511 Mon Sep 17 00:00:00 2001
From: Amy He <ayhe1768@gmail.com>
Date: Tue, 22 Oct 2024 01:38:02 -0700
Subject: [PATCH 112/166] do not drop [ ] for metals, when making pretty smiles

---
 meeko/chemtempgen.py | 10 +++++-----
 1 file changed, 5 insertions(+), 5 deletions(-)

diff --git a/meeko/chemtempgen.py b/meeko/chemtempgen.py
index 7302d670..7b7adf0b 100644
--- a/meeko/chemtempgen.py
+++ b/meeko/chemtempgen.py
@@ -41,6 +41,7 @@
         53: 1.39,
     }
 list_of_AD_elements_as_AtomicNum = list(covalent_radius.keys())
+metal_AtomicNums = {12, 20, 25, 26, 30}  # Mg: 12, Ca: 20, Mn: 25, Fe: 26, Zn: 30
 
 # Utility Functions
 def mol_contains_unexpected_element(mol: Chem.Mol, allowed_elements: list[str] = list_of_AD_elements_as_AtomicNum) -> bool:
@@ -224,7 +225,6 @@ def deprotonate(mol: Chem.Mol, acidic_proton_loc: dict[str, int] = None) -> Chem
 
 def recharge(rwmol: Chem.RWMol) -> Chem.RWMol: 
     # Recharging metal complexes
-    metal_AtomicNums = {12, 20, 25, 26, 30}  # Mg: 12, Ca: 20, Mn: 25, Fe: 26, Zn: 30
     metal_atoms = set(atom for atom in rwmol.GetAtoms() if atom.GetAtomicNum() in metal_AtomicNums)
     coord_valence = {v: k for k, v_set in {
             1: {1, 9, 17, 53}, # monovalent: H, halogens
@@ -309,10 +309,10 @@ def get_pretty_smiles(smi: str) -> str:
     # collect the inside square brackets contents
     contents = set(re.findall(r'\[([^\]]+)\]', smi))
 
-    def is_chemical_element(symbol: str) -> bool:
+    def is_nonmetal_element(symbol: str) -> bool:
         """Check if a string represents a valid chemical element."""
         try:
-            return Chem.GetPeriodicTable().GetAtomicNumber(symbol) > 0
+            return Chem.GetPeriodicTable().GetAtomicNumber(symbol) not in metal_AtomicNums
         # rdkit throws RuntimeError if invalid
         except RuntimeError:
             return False
@@ -323,8 +323,8 @@ def is_chemical_element(symbol: str) -> bool:
             continue
         # drop H in the content to hide implicit Hs
         H_stripped = content.split('H')[0]
-        # drop [ ] if the content is an uncharged element symbol
-        if is_chemical_element(content) or is_chemical_element(H_stripped):
+        # drop [ ] if the content is an uncharged nonmental element symbol 
+        if is_nonmetal_element(content) or is_nonmetal_element(H_stripped):
             smi = smi.replace(f"[{content}]", f"{H_stripped}" if 'H' in content else f"{content}")
     return smi
 

From 8d590c93b3e9963e4a5fd267e83a57bb2fe66a26 Mon Sep 17 00:00:00 2001
From: Amy He <ayhe1768@gmail.com>
Date: Tue, 22 Oct 2024 02:00:51 -0700
Subject: [PATCH 113/166] fix typo

---
 meeko/chemtempgen.py | 6 +++---
 1 file changed, 3 insertions(+), 3 deletions(-)

diff --git a/meeko/chemtempgen.py b/meeko/chemtempgen.py
index 7b7adf0b..a84350ac 100644
--- a/meeko/chemtempgen.py
+++ b/meeko/chemtempgen.py
@@ -260,8 +260,8 @@ def recharge(rwmol: Chem.RWMol) -> Chem.RWMol:
         # -> ionize (break bonds w/) and charge down coordinated atoms
         # (metal ox state will be from input charge state)
         else: 
-            logging.warning(f"Molecule contains metal specified charge state -> ionizing metal-nonmental coordinated bonds...")
-            logging.warning(f"All metal-nonmental coordinate bonds will be polarized. ")
+            logging.warning(f"Molecule contains metal specified charge state -> ionizing metal-nonmetal coordinated bonds...")
+            logging.warning(f"All metal-nonmetal coordinate bonds will be polarized. ")
             metal_to_nonmetal_neighbors = {metal: {atom for atom in metal.GetNeighbors() 
                                            if atom.GetAtomicNum() not in metal_AtomicNums} for metal in metal_atoms}
             metal_bonds = {bond.GetIdx(): (bond.GetBeginAtomIdx(), bond.GetEndAtomIdx()) 
@@ -323,7 +323,7 @@ def is_nonmetal_element(symbol: str) -> bool:
             continue
         # drop H in the content to hide implicit Hs
         H_stripped = content.split('H')[0]
-        # drop [ ] if the content is an uncharged nonmental element symbol 
+        # drop [ ] if the content is an uncharged nonmetal element symbol 
         if is_nonmetal_element(content) or is_nonmetal_element(H_stripped):
             smi = smi.replace(f"[{content}]", f"{H_stripped}" if 'H' in content else f"{content}")
     return smi

From dde4d344cfbadcb36d5aca69782e3b5c066323ce Mon Sep 17 00:00:00 2001
From: Amy He <ayhe1768@gmail.com>
Date: Tue, 22 Oct 2024 02:27:18 -0700
Subject: [PATCH 114/166] add missing elements

---
 meeko/chemtempgen.py | 28 ++++++++++++++--------------
 1 file changed, 14 insertions(+), 14 deletions(-)

diff --git a/meeko/chemtempgen.py b/meeko/chemtempgen.py
index a84350ac..9b474b01 100644
--- a/meeko/chemtempgen.py
+++ b/meeko/chemtempgen.py
@@ -227,10 +227,10 @@ def recharge(rwmol: Chem.RWMol) -> Chem.RWMol:
     # Recharging metal complexes
     metal_atoms = set(atom for atom in rwmol.GetAtoms() if atom.GetAtomicNum() in metal_AtomicNums)
     coord_valence = {v: k for k, v_set in {
-            1: {1, 9, 17, 53}, # monovalent: H, halogens
+            1: {1, 9, 17, 35, 53}, # monovalent: H, halogens
             2: {8, 16}, # divalent: O, S
-            3: {7, 15}, # trivalent: N, P (phospine)
-            4: {6}, # tetravalent carbon
+            3: {5, 7, 15}, # trivalent: B, N, P (phosphine)
+            4: {6, 14}, # tetravalent: C, Si
             }.items() for v in v_set}
     bond_order_mapping = {
         Chem.BondType.SINGLE: 1,
@@ -243,34 +243,34 @@ def recharge(rwmol: Chem.RWMol) -> Chem.RWMol:
         return rwmol
     else:
         # Method a: If charge is ignored at metal center
-        # -> charge up coordinated atoms 
-        # (metal ox state will be interpreted from valence of coordinated atom)
-        coordinated_atoms = set(atom for metal in metal_atoms for atom in metal.GetNeighbors() )
+        # -> charge up nonmetal coordinated atoms 
+        # (metal ox state will be interpreted from valence of nonmetal coordinated atom)
+        metal_to_nonmetal_neighbors = {metal: {atom for atom in metal.GetNeighbors() 
+                                               if atom.GetAtomicNum() not in metal_AtomicNums} for metal in metal_atoms}
+        nonmetal_coord_atoms = set(atom for v_set in metal_to_nonmetal_neighbors.values() for atom in v_set)
         #if 1:
         if any(atom.GetFormalCharge() == 0 for atom in metal_atoms): 
-            logging.warning(f"Molecule contains metal with unspecified charge state -> charging coordinated atoms...")
-            logging.warning(f"All metals will be neutralized and the coordinated atoms will be charged according to their explicit valence. ")
+            logging.warning(f"Molecule contains metal with unspecified charge state -> charging nonmetal coordinated atoms...")
+            logging.warning(f"All metals will be neutralized and the nonmetal coordinated atoms will be charged according to their explicit valence. ")
             for atom in metal_atoms: 
                 atom.SetFormalCharge(0)
-            for atom in coordinated_atoms: 
+            for atom in nonmetal_coord_atoms: 
                 bond_sum = sum(bond_order_mapping.get(bond.GetBondType(), 0) for bond in atom.GetBonds())
                 atom.SetFormalCharge(bond_sum - coord_valence[atom.GetAtomicNum()])
   
         # Method b: If charge (ox) state is specified for all metal centers
-        # -> ionize (break bonds w/) and charge down coordinated atoms
+        # -> ionize (break bonds w/) and charge down nonmetal coordinated atoms
         # (metal ox state will be from input charge state)
         else: 
-            logging.warning(f"Molecule contains metal specified charge state -> ionizing metal-nonmetal coordinated bonds...")
+            logging.warning(f"Molecule contains metal specified charge state -> ionizing metal-nonmetal coordinate bonds...")
             logging.warning(f"All metal-nonmetal coordinate bonds will be polarized. ")
-            metal_to_nonmetal_neighbors = {metal: {atom for atom in metal.GetNeighbors() 
-                                           if atom.GetAtomicNum() not in metal_AtomicNums} for metal in metal_atoms}
             metal_bonds = {bond.GetIdx(): (bond.GetBeginAtomIdx(), bond.GetEndAtomIdx()) 
                                for metal in metal_atoms for bond in metal.GetBonds()}
 
             for bond_idx in sorted(metal_bonds, reverse=True):
                 rwmol.RemoveBond(metal_bonds[bond_idx][0], metal_bonds[bond_idx][1])
 
-            for atom in coordinated_atoms: 
+            for atom in nonmetal_coord_atoms: 
                 bond_sum = sum(bond_order_mapping.get(bond.GetBondType(), 0) for bond in atom.GetBonds())
                 atom.SetFormalCharge(bond_sum - coord_valence[atom.GetAtomicNum()])
 

From e222e4014276f38450fdca00929da1aff9f8ae3b Mon Sep 17 00:00:00 2001
From: Amy He <ayhe1768@gmail.com>
Date: Tue, 22 Oct 2024 03:12:02 -0700
Subject: [PATCH 115/166] guard against GasteigerCharge = inf

---
 meeko/molsetup.py | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/meeko/molsetup.py b/meeko/molsetup.py
index 19935c12..c7272ab3 100644
--- a/meeko/molsetup.py
+++ b/meeko/molsetup.py
@@ -1653,7 +1653,7 @@ def init_atom(self, assign_charges: bool, coords: list[np.ndarray]):
                     atom.SetAtomicNum(16)
             rdPartialCharges.ComputeGasteigerCharges(copy_mol)
             charges = [a.GetDoubleProp("_GasteigerCharge") for a in copy_mol.GetAtoms()]
-            charges = [1e-6 if np.isnan(x) else x for x in charges]
+            charges = [1e-6 if np.isnan(x) or np.isinf(x) else x for x in charges]
         else:
             charges = [0.0] * self.mol.GetNumAtoms()
         # register atom

From 1d224c3130231c00b43681afca027029f39e3858 Mon Sep 17 00:00:00 2001
From: diogom <diogom@scripps.edu>
Date: Tue, 22 Oct 2024 10:00:05 -0700
Subject: [PATCH 116/166] remove c-alpha and c-beta from updated positions when
 exporting flexres

---
 meeko/export_flexres.py | 20 ++++++++++++++++++++
 1 file changed, 20 insertions(+)

diff --git a/meeko/export_flexres.py b/meeko/export_flexres.py
index 0b70baff..67603d6d 100644
--- a/meeko/export_flexres.py
+++ b/meeko/export_flexres.py
@@ -72,5 +72,25 @@ def export_pdb_updated_flexres(chorizo, pdbqt_mol):
             if hit_count != sum(is_flexres_atom):
                 raise RuntimeError(f"{hit_count=} {sum(is_flexres_atom)=}")
             new_positions[res_id] = sidechain_positions
+
+            # remove root atom(s) (often C-alpha) and first atom after bond
+            flex_model = chorizo.residues[res_id].molsetup.flexibility_model
+            root_body_idx = flex_model["root"]
+            graph = flex_model["rigid_body_graph"]
+            conn = flex_model["rigid_body_connectivity"]
+            rigid_index_by_atom = flex_model["rigid_index_by_atom"]
+            first_after_root = set()
+            for other_body_idx in graph[root_body_idx]:
+                first_after_root.add(conn[(root_body_idx, other_body_idx)][1])
+            to_pop = set()
+            for index in sidechain_positions:
+                index_molsetup = template_to_molsetup[index]
+                if (
+                    rigid_index_by_atom[index_molsetup] == root_body_idx or 
+                    index_molsetup in first_after_root
+                ): 
+                    to_pop.add(index) 
+            for index in to_pop:
+                sidechain_positions.pop(index)
     pdbstr = chorizo.to_pdb(new_positions)
     return pdbstr

From f838e9dff37983320cfdf1b83c985187ec53de6e Mon Sep 17 00:00:00 2001
From: Amy He <ayhe1768@gmail.com>
Date: Tue, 22 Oct 2024 14:39:47 -0700
Subject: [PATCH 117/166] exit when -p but no -j

---
 scripts/mk_export.py | 8 ++++++--
 1 file changed, 6 insertions(+), 2 deletions(-)

diff --git a/scripts/mk_export.py b/scripts/mk_export.py
index 39ae4982..66bc303e 100755
--- a/scripts/mk_export.py
+++ b/scripts/mk_export.py
@@ -62,7 +62,7 @@ def cmd_lineparser():
     msg = "With multiple input files, the output filenames are based on the"
     msg += "input filename. The suffix can be controlled with option --suffix."
     msg += "--write options are incompatible with multiple input files"
-    print("F--write options incompatible with multiple input files", file=sys.stderr)
+    print("--write options incompatible with multiple input files", file=sys.stderr)
     sys.exit(2)
 
 if redirect_stdout and len(docking_results_filenames) > 1:
@@ -75,6 +75,10 @@ def cmd_lineparser():
     polymer = LinkedRDKitChorizo.from_json(json_string)
 else:
     polymer = None
+    if write_pdb is not None:
+        print("option -p (write pdb) requires -j (receptor receptor file)", file=sys.stderr)
+        sys.exit(2)
+
 
 for filename in docking_results_filenames:
     is_dlg = filename.endswith('.dlg') or filename.endswith(".dlg.gz")
@@ -128,4 +132,4 @@ def cmd_lineparser():
         else:
             fn = write_pdb
         with open(fn, "w") as f:
-            f.write(pdb_string)
+            f.write(pdb_string)
\ No newline at end of file

From 7b8f237e3cc98658c2f632efc4d64162d005fc58 Mon Sep 17 00:00:00 2001
From: Amy He <ayhe1768@gmail.com>
Date: Wed, 23 Oct 2024 00:58:54 -0700
Subject: [PATCH 118/166] print traceback in ChorizoCreationError

---
 meeko/linked_rdkit_chorizo.py | 5 +++++
 1 file changed, 5 insertions(+)

diff --git a/meeko/linked_rdkit_chorizo.py b/meeko/linked_rdkit_chorizo.py
index 91b1fe54..c8d21ee7 100644
--- a/meeko/linked_rdkit_chorizo.py
+++ b/meeko/linked_rdkit_chorizo.py
@@ -1,6 +1,7 @@
 import pathlib
 import json
 import logging
+import traceback
 from os import linesep as os_linesep
 from typing import Union
 from typing import Optional
@@ -502,6 +503,7 @@ def __init__(self, error: str, recommendations: str = None):
         super().__init__(error) # main error message to pass to RuntimeError
         self.error = error
         self.recommendations = recommendations
+        self.traceback = ''.join(traceback.format_exception(*sys.exc_info()))
 
     def __str__(self):
         msg = "" + os_linesep
@@ -511,6 +513,9 @@ def __str__(self):
         msg += self.error + os_linesep
         msg += "" + os_linesep
 
+        msg += self.traceback + os_linesep
+        msg += "" + os_linesep
+
         if self.recommendations: 
             msg += "Recommendations:" + os_linesep
             msg += self.recommendations + os_linesep

From deb31c60eaf586a987a5979d0c9a8a74978c6e06 Mon Sep 17 00:00:00 2001
From: Amy He <ayhe1768@gmail.com>
Date: Wed, 23 Oct 2024 01:13:22 -0700
Subject: [PATCH 119/166] delete temp CIF files at exit

---
 meeko/chemtempgen.py | 10 +++++++++-
 1 file changed, 9 insertions(+), 1 deletion(-)

diff --git a/meeko/chemtempgen.py b/meeko/chemtempgen.py
index 9b474b01..5bf8c61b 100644
--- a/meeko/chemtempgen.py
+++ b/meeko/chemtempgen.py
@@ -6,6 +6,8 @@
 import time
 import tempfile
 import re
+import atexit
+import os
 
 from rdkit import Chem
 from rdkit.Chem import rdmolops
@@ -609,6 +611,7 @@ def export_chem_templates_to_json(cc_list: list[ChemicalComponent], json_fname:
 
 
 def fetch_from_pdb(resname: str, max_retries = 5, backoff_factor = 2) -> str: 
+    
     url = f"https://files.rcsb.org/ligands/download/{resname}.cif"
     file_path = f"{resname}.cif"
     for retry in range(max_retries):
@@ -618,7 +621,12 @@ def fetch_from_pdb(resname: str, max_retries = 5, backoff_factor = 2) -> str:
             logging.info(f"File downloaded successfully: {file_path}")
             with tempfile.NamedTemporaryFile(delete=False, suffix=".cif") as temp_file:
                 temp_file.write(content)
-                return temp_file.name 
+            atexit.register(
+                lambda: os.remove(temp_file.name) 
+                if temp_file.name and os.path.exists(temp_file.name) 
+                else None
+            )
+            return temp_file.name 
             
         except Exception as e:
             if retry < max_retries - 1: 

From ae38e53bee552c5df102716292747b1cc1b32379 Mon Sep 17 00:00:00 2001
From: Amy He <ayhe1768@gmail.com>
Date: Wed, 23 Oct 2024 01:53:03 -0700
Subject: [PATCH 120/166] check if input or assigned has resname UNL, raise
 ChorizoCreationError early, check if traceback value is None

---
 meeko/linked_rdkit_chorizo.py | 29 ++++++++++++++++++++++-------
 1 file changed, 22 insertions(+), 7 deletions(-)

diff --git a/meeko/linked_rdkit_chorizo.py b/meeko/linked_rdkit_chorizo.py
index c8d21ee7..35d31836 100644
--- a/meeko/linked_rdkit_chorizo.py
+++ b/meeko/linked_rdkit_chorizo.py
@@ -503,7 +503,11 @@ def __init__(self, error: str, recommendations: str = None):
         super().__init__(error) # main error message to pass to RuntimeError
         self.error = error
         self.recommendations = recommendations
-        self.traceback = ''.join(traceback.format_exception(*sys.exc_info()))
+        exc_type, exc_value, exc_traceback = sys.exc_info()
+        if exc_value is not None: 
+            self.traceback = ''.join(traceback.format_exception(exc_type, exc_value, exc_traceback))
+        else:
+            self.traceback = None
 
     def __str__(self):
         msg = "" + os_linesep
@@ -511,10 +515,9 @@ def __str__(self):
         msg += "" + os_linesep
         msg += "Details:" + os_linesep
         msg += self.error + os_linesep
-        msg += "" + os_linesep
 
-        msg += self.traceback + os_linesep
-        msg += "" + os_linesep
+        if self.traceback:
+            msg += self.traceback + os_linesep
 
         if self.recommendations: 
             msg += "Recommendations:" + os_linesep
@@ -766,15 +769,27 @@ def __init__(
         # check if input assigned residue name in residue_templates
         err = ""
         supported_resnames = residue_templates.keys() | ambiguous.keys()
-        unknown_res_from_input = {res_id: raw_input_mols[res_id][1] for res_id in raw_input_mols if raw_input_mols[res_id][1] not in supported_resnames}
+        unknown_res_from_input = {res_id: raw_input_mols[res_id][1] for res_id in raw_input_mols if res_id not in set_template and raw_input_mols[res_id][1] not in supported_resnames}
         if len(unknown_res_from_input) > 0:
             err += f"Input residues {unknown_res_from_input} not in residue_templates" + os_linesep
+            UNL_from_input = {k: v for k, v in unknown_res_from_input.items() if v == "UNL"}
+            if len(UNL_from_input) > 0: 
+                err += f"Input residues {UNL_from_input} do not have a concrete definition" + os_linesep
         unknown_res_from_assign = set()
         if set_template:
             unknown_res_from_assign = {res_id: set_template[res_id] for res_id in set_template if set_template[res_id] not in supported_resnames}
             if len(unknown_res_from_assign) > 0:
                 err += f"Assigned residues {unknown_res_from_assign} not in residue_templates" + os_linesep
-        if err: 
+                UNL_from_assign = {k: v for k, v in unknown_res_from_assign.items() if v == "UNL"}
+                if len(UNL_from_assign) > 0: 
+                    err += f"Assigned residues {UNL_from_assign} do not have a concrete definition" + os_linesep
+        if err:
+            if "UNL" in err: 
+                err += "Resdiues that are named UNL can't be parameterized. " + os_linesep
+                rec = "1. (to parameterize the residues) Use --set_template to specify valid residue names, " + os_linesep
+                rec += "2. (to skip the residues) Use --delete_residues to ignore them. Residues will be deleted from the prepared receptor. "
+                raise ChorizoCreationError(err, rec)
+
             print(err)
             print("Trying to resolve unknown residues by building chemical templates... ")
 
@@ -823,7 +838,7 @@ def __init__(
                             
                 if failed_build: 
                     raise ChorizoCreationError(f"Template generation failed for unknown residues: {failed_build}, which appear to be linking fragments. " + os_linesep
-                                            + "Guessing chemical templates with linker_labels are not currently supported. ", 
+                                            + "Generation of chemical templates with modified backbones, which involves guessing of linker positions and types, are not currently supported. ", 
                                             "1. (to parameterize the residues) Use --add_templates to pass the additional templates with valid linker_labels, " + os_linesep
                                             + "2. (to skip the residues) Use --delete_residues to ignore them. Residues will be deleted from the prepared receptor. ")
 

From 086d5f0f1b90ce5058191e42da0ac11dcb7d501f Mon Sep 17 00:00:00 2001
From: Amy He <ayhe1768@gmail.com>
Date: Wed, 23 Oct 2024 02:13:32 -0700
Subject: [PATCH 121/166] avoid repeating of UNL residues in msg

---
 meeko/linked_rdkit_chorizo.py | 32 +++++++++++++++++++++-----------
 1 file changed, 21 insertions(+), 11 deletions(-)

diff --git a/meeko/linked_rdkit_chorizo.py b/meeko/linked_rdkit_chorizo.py
index 35d31836..ab9838d5 100644
--- a/meeko/linked_rdkit_chorizo.py
+++ b/meeko/linked_rdkit_chorizo.py
@@ -769,20 +769,30 @@ def __init__(
         # check if input assigned residue name in residue_templates
         err = ""
         supported_resnames = residue_templates.keys() | ambiguous.keys()
-        unknown_res_from_input = {res_id: raw_input_mols[res_id][1] for res_id in raw_input_mols if res_id not in set_template and raw_input_mols[res_id][1] not in supported_resnames}
-        if len(unknown_res_from_input) > 0:
-            err += f"Input residues {unknown_res_from_input} not in residue_templates" + os_linesep
+        unknown_res_from_input = {res_id: raw_input_mols[res_id][1] 
+                                  for res_id in raw_input_mols 
+                                  if res_id not in set_template and raw_input_mols[res_id][1] not in supported_resnames
+                                  }
+        
+        if unknown_res_from_input:
+            unknown_valid_res_from_input = {k: v for k, v in unknown_res_from_input.items() if v != "UNL"}
+            if unknown_valid_res_from_input: 
+                err += f"Input residues {unknown_valid_res_from_input} not in residue_templates" + os_linesep
             UNL_from_input = {k: v for k, v in unknown_res_from_input.items() if v == "UNL"}
-            if len(UNL_from_input) > 0: 
+            if UNL_from_input: 
                 err += f"Input residues {UNL_from_input} do not have a concrete definition" + os_linesep
-        unknown_res_from_assign = set()
+        
         if set_template:
-            unknown_res_from_assign = {res_id: set_template[res_id] for res_id in set_template if set_template[res_id] not in supported_resnames}
-            if len(unknown_res_from_assign) > 0:
-                err += f"Assigned residues {unknown_res_from_assign} not in residue_templates" + os_linesep
-                UNL_from_assign = {k: v for k, v in unknown_res_from_assign.items() if v == "UNL"}
-                if len(UNL_from_assign) > 0: 
-                    err += f"Assigned residues {UNL_from_assign} do not have a concrete definition" + os_linesep
+            unknown_res_from_assign = {res_id: set_template[res_id] for res_id in set_template if res_id not in supported_resnames}
+            
+            if unknown_res_from_assign:
+                unknown_valid_res_from_assign = {k: v for k, v in unknown_res_from_assign.items() if v != "UNL"}
+            if unknown_valid_res_from_assign: 
+                err += f"Input residues {unknown_valid_res_from_assign} not in residue_templates" + os_linesep
+            UNL_from_assign = {k: v for k, v in unknown_res_from_assign.items() if v == "UNL"}
+            if UNL_from_assign: 
+                err += f"Input residues {UNL_from_assign} do not have a concrete definition" + os_linesep
+        
         if err:
             if "UNL" in err: 
                 err += "Resdiues that are named UNL can't be parameterized. " + os_linesep

From 4d45ba5e77c683a5e7c66c107e8b48308b16bbe6 Mon Sep 17 00:00:00 2001
From: Amy He <ayhe1768@gmail.com>
Date: Wed, 23 Oct 2024 02:24:41 -0700
Subject: [PATCH 122/166] drop Error class in chemtempgen

---
 meeko/chemtempgen.py | 11 +++--------
 1 file changed, 3 insertions(+), 8 deletions(-)

diff --git a/meeko/chemtempgen.py b/meeko/chemtempgen.py
index 5bf8c61b..bdb67393 100644
--- a/meeko/chemtempgen.py
+++ b/meeko/chemtempgen.py
@@ -331,11 +331,6 @@ def is_nonmetal_element(symbol: str) -> bool:
     return smi
 
 
-class ChemTempCreationError(Exception):
-    def __init__(self, message):
-        super().__init__(message)
-
-
 class ChemicalComponent_LoggingControler:
 
     def __init__(self):
@@ -635,7 +630,7 @@ def fetch_from_pdb(resname: str, max_retries = 5, backoff_factor = 2) -> str:
                 time.sleep(wait_time)
             else:
                 err = f"Max retries reached. Could not download CIF file for {resname}. Error: {e}"
-                raise ChemTempCreationError(err)
+                raise RuntimeError(err)
 
 # Constants for deprotonate
 acidic_proton_loc_canonical = {
@@ -665,7 +660,7 @@ def build_noncovalent_CC(basename: str) -> ChemicalComponent:
         cc = cc.make_canonical(acidic_proton_loc = acidic_proton_loc_canonical)
         if len(rdmolops.GetMolFrags(cc.rdkit_mol))>1:
             err = f"Template Generation failed for {cc.resname}. Error: Molecule breaks into fragments during the deleterious editing. "
-            raise ChemTempCreationError(err)
+            raise RuntimeError(err)
 
         cc = cc.make_pretty_smiles()
 
@@ -674,7 +669,7 @@ def build_noncovalent_CC(basename: str) -> ChemicalComponent:
             cc.ResidueTemplate_check()
         except Exception as e:
             err = f"Template {cc.resname} Failed to pass ResidueTemplate check. Error: {e}"
-            raise ChemTempCreationError(err)
+            raise RuntimeError(err)
             
         logger.info(f"*** finish making {cc.resname} ***")
     return cc

From 3d5ba9ef189c9afdeb588a332e55c575b7ac5d98 Mon Sep 17 00:00:00 2001
From: Amy He <ayhe1768@gmail.com>
Date: Wed, 23 Oct 2024 02:27:13 -0700
Subject: [PATCH 123/166] small fix for UnboundLocalError

---
 meeko/linked_rdkit_chorizo.py | 1 +
 1 file changed, 1 insertion(+)

diff --git a/meeko/linked_rdkit_chorizo.py b/meeko/linked_rdkit_chorizo.py
index ab9838d5..2da295f8 100644
--- a/meeko/linked_rdkit_chorizo.py
+++ b/meeko/linked_rdkit_chorizo.py
@@ -782,6 +782,7 @@ def __init__(
             if UNL_from_input: 
                 err += f"Input residues {UNL_from_input} do not have a concrete definition" + os_linesep
         
+        unknown_res_from_assign = {}
         if set_template:
             unknown_res_from_assign = {res_id: set_template[res_id] for res_id in set_template if res_id not in supported_resnames}
             

From b635b7c20670b522999117136bea095a4499e3bc Mon Sep 17 00:00:00 2001
From: diogom <diogom@scripps.edu>
Date: Wed, 23 Oct 2024 10:44:03 -0700
Subject: [PATCH 124/166] minor fix in error messages from mk_prepare_ligand
 stdout pdbqt

---
 scripts/mk_prepare_ligand.py | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/scripts/mk_prepare_ligand.py b/scripts/mk_prepare_ligand.py
index 3402c439..c51a145b 100755
--- a/scripts/mk_prepare_ligand.py
+++ b/scripts/mk_prepare_ligand.py
@@ -644,7 +644,7 @@ def get_suffixes(molsetups):
         print(output.get_duplicates_info_string())
 
     # Determine if exit code should be non-zero based on processing results
-    if output.num_files_written == 0:
+    if output.num_files_written == 0 and not output.redirect_stdout:
         print("No PDBQT files were written due to errors!")
         sys.exit(3)  # full failure
     elif input_mol_with_failure > 0:

From d7af3d277317930951052e00991087192b45d9b2 Mon Sep 17 00:00:00 2001
From: Amy He <ayhe1768@gmail.com>
Date: Thu, 24 Oct 2024 10:28:26 -0700
Subject: [PATCH 125/166] forgive blunt ends only when there's no match

---
 meeko/linked_rdkit_chorizo.py | 14 +++++++++++++-
 1 file changed, 13 insertions(+), 1 deletion(-)

diff --git a/meeko/linked_rdkit_chorizo.py b/meeko/linked_rdkit_chorizo.py
index f23a6294..c05914d2 100644
--- a/meeko/linked_rdkit_chorizo.py
+++ b/meeko/linked_rdkit_chorizo.py
@@ -1256,12 +1256,24 @@ def _get_residues(
                     all_stats["heavy_missing"][i]
                     or all_stats["heavy_excess"][i]
                     or (all_stats["H_excess"][i] and not excess_H_ok)
-                    #or len(all_stats["bonded_atoms_missing"][i])
+                    or len(all_stats["bonded_atoms_missing"][i])
                     or len(all_stats["bonded_atoms_excess"][i])
                 ):
                     continue
                 passed.append(i)
 
+            if len(passed) == 0: # forgive residues neaby a gap
+                for i in range(len(all_stats["H_excess"])):
+                    if (
+                        all_stats["heavy_missing"][i]
+                        or all_stats["heavy_excess"][i]
+                        or (all_stats["H_excess"][i] and not excess_H_ok)
+                        #or len(all_stats["bonded_atoms_missing"][i])
+                        or len(all_stats["bonded_atoms_excess"][i])
+                    ):
+                        continue
+                    passed.append(i)
+
             if len(passed) == 0:
                 template_key = None
                 template = None

From 974f09e441914cf754a3165c73710b71bbb6f535 Mon Sep 17 00:00:00 2001
From: Amy He <ayhe1768@gmail.com>
Date: Thu, 24 Oct 2024 11:19:40 -0700
Subject: [PATCH 126/166] allow H_excess in fallback

---
 meeko/linked_rdkit_chorizo.py | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/meeko/linked_rdkit_chorizo.py b/meeko/linked_rdkit_chorizo.py
index c05914d2..97b2a6f3 100644
--- a/meeko/linked_rdkit_chorizo.py
+++ b/meeko/linked_rdkit_chorizo.py
@@ -1267,7 +1267,7 @@ def _get_residues(
                     if (
                         all_stats["heavy_missing"][i]
                         or all_stats["heavy_excess"][i]
-                        or (all_stats["H_excess"][i] and not excess_H_ok)
+                        #or (all_stats["H_excess"][i] and not excess_H_ok)
                         #or len(all_stats["bonded_atoms_missing"][i])
                         or len(all_stats["bonded_atoms_excess"][i])
                     ):

From 2f80f5dd8bb8104e6a0b6897a0d863947dca8d53 Mon Sep 17 00:00:00 2001
From: diogom <diogom@scripps.edu>
Date: Thu, 24 Oct 2024 14:44:22 -0700
Subject: [PATCH 127/166] hold Fe,Zn,Mg,Mn aside for Gasteiger, FDD getting +5

---
 meeko/molsetup.py | 66 +++++++++++++++++++++++++++++++++++++++++++++--
 1 file changed, 64 insertions(+), 2 deletions(-)

diff --git a/meeko/molsetup.py b/meeko/molsetup.py
index c7272ab3..238c96e7 100644
--- a/meeko/molsetup.py
+++ b/meeko/molsetup.py
@@ -1630,6 +1630,35 @@ def from_mol(
 
         return molsetup
 
+    @staticmethod
+    def remove_elements(mol, to_rm=(12, 26, 25, 30)):
+        idx_to_rm = {}
+        neigh_idx_to_nr_h = {}
+        rm_to_neigh = {}
+        for atom in mol.GetAtoms():
+            if atom.GetAtomicNum() in to_rm:
+                idx_to_rm[atom.GetIdx()] = atom.GetFormalCharge()
+                rm_to_neigh[atom.GetIdx()] = set()
+                for neigh in atom.GetNeighbors():
+                    n = neigh.GetNumExplicitHs()
+                    neigh_idx_to_nr_h[neigh.GetIdx()] = n
+                    rm_to_neigh[atom.GetIdx()].add(neigh.GetIdx())
+        if not idx_to_rm:
+            return Chem.Mol(mol), idx_to_rm
+        rwmol = Chem.EditableMol(mol)
+        for idx in sorted(idx_to_rm, reverse=True):
+            rwmol.RemoveAtom(idx)
+        mol = rwmol.GetMol()
+        for idx in neigh_idx_to_nr_h:
+            n = neigh_idx_to_nr_h[idx]
+            newidx = idx - sum([i < idx for i in idx_to_rm]) 
+            mol.GetAtomWithIdx(newidx).SetNumExplicitHs(n + 1)
+        mol.UpdatePropertyCache()
+        Chem.SanitizeMol(mol)
+        mol = Chem.AddHs(mol)
+        return mol, idx_to_rm, rm_to_neigh
+         
+
     def init_atom(self, assign_charges: bool, coords: list[np.ndarray]):
         """
         Generates information about the atoms in an RDKit Mol and adds them to an RDKitMoleculeSetup.
@@ -1647,13 +1676,46 @@ def init_atom(self, assign_charges: bool, coords: list[np.ndarray]):
         """
         # extract/generate charges
         if assign_charges:
-            copy_mol = Chem.Mol(self.mol)
+            things = self.remove_elements(self.mol)
+            copy_mol, idx_rm_to_formal_charge, rm_to_neigh = things
             for atom in copy_mol.GetAtoms():
                 if atom.GetAtomicNum() == 34:
                     atom.SetAtomicNum(16)
             rdPartialCharges.ComputeGasteigerCharges(copy_mol)
             charges = [a.GetDoubleProp("_GasteigerCharge") for a in copy_mol.GetAtoms()]
-            charges = [1e-6 if np.isnan(x) or np.isinf(x) else x for x in charges]
+            if idx_rm_to_formal_charge:
+                ok_charges = charges.copy()
+                for i in sorted(idx_rm_to_formal_charge, reverse=True):
+                    ok_charges.insert(i, 0.0)
+                nr_rm = len(idx_rm_to_formal_charge)
+                nr_added_h = copy_mol.GetNumAtoms() - self.mol.GetNumAtoms() + nr_rm
+                ok_charges = ok_charges[:-nr_added_h]
+                # print(f"{nr_added_h=}")
+                # print(f"{nr_rm=}")
+                # print(f"{idx_rm_to_formal_charge=}")
+                # print(f"{len(charges)=}")
+                # print(f"{len(ok_charges)=}")
+                # print(f"{copy_mol.GetNumAtoms()=}")
+                # print(f"{self.mol.GetNumAtoms()=}")
+                chrg_by_heavy_atom = {}
+                for i in range(nr_added_h):
+                    added_H_idx = self.mol.GetNumAtoms() + i - nr_rm
+                    # print(f"{added_H_idx=}")
+                    neighs = copy_mol.GetAtomWithIdx(added_H_idx).GetNeighbors()
+                    if len(neighs) != 1:
+                        raise RuntimeError("H should have 1 neighbor")
+                    if neighs[0].GetIdx() in chrg_by_heavy_atom:
+                        raise RuntimeError("expected only 1 added H per heavy atom, maybe deleted element had double bond to this heavy atom")
+                    chrg_by_heavy_atom[neighs[0].GetIdx()] = charges[added_H_idx]
+                # print(f"{chrg_by_heavy_atom=}")
+                for i, neighs in rm_to_neigh.items():
+                    # print(f"{i=}, {neighs=}")
+                    ok_charges[i] += idx_rm_to_formal_charge[i]
+                    for idx in neighs:
+                        newidx = idx - sum([i <= idx for i in idx_rm_to_formal_charge]) 
+                        # print(f"{idx=} {newidx=}")
+                        ok_charges[i] += chrg_by_heavy_atom[newidx]
+                charges = ok_charges
         else:
             charges = [0.0] * self.mol.GetNumAtoms()
         # register atom

From 1beb6fa6e0a5333b5e28d3d3509535a9459bc069 Mon Sep 17 00:00:00 2001
From: diogom <diogom@scripps.edu>
Date: Thu, 24 Oct 2024 16:54:18 -0700
Subject: [PATCH 128/166] minor fixes and formatting

---
 meeko/chemtempgen.py          | 27 +++------------------------
 meeko/linked_rdkit_chorizo.py | 29 +++++------------------------
 meeko/molsetup.py             |  4 ++--
 meeko/utils/rdkitutils.py     | 24 ++++++++++++++++++++++++
 4 files changed, 34 insertions(+), 50 deletions(-)

diff --git a/meeko/chemtempgen.py b/meeko/chemtempgen.py
index bdb67393..50232dec 100644
--- a/meeko/chemtempgen.py
+++ b/meeko/chemtempgen.py
@@ -9,6 +9,8 @@
 import atexit
 import os
 
+from .utils.rdkitutils import covalent_radius
+
 from rdkit import Chem
 from rdkit.Chem import rdmolops
 
@@ -19,29 +21,6 @@
 logging.basicConfig(stream=sys.stdout, level=logging.WARNING)
 
 
-# Constants from linked_rdkit_chorizo
-covalent_radius = {  # from wikipedia
-        1: 0.31,
-        5: 0.84,
-        6: 0.76,
-        7: 0.71,
-        8: 0.66,
-        9: 0.57,
-        12: 0.00,  # hack to avoid bonds with metals
-        14: 1.11,
-        15: 1.07,
-        16: 1.05,
-        17: 1.02,
-        # 19: 2.03,
-        20: 0.00,
-        # 24: 1.39,
-        25: 0.00,  # hack to avoid bonds with metals
-        26: 0.00,
-        30: 0.00,  # hack to avoid bonds with metals
-        # 34: 1.20,
-        35: 1.20,
-        53: 1.39,
-    }
 list_of_AD_elements_as_AtomicNum = list(covalent_radius.keys())
 metal_AtomicNums = {12, 20, 25, 26, 30}  # Mg: 12, Ca: 20, Mn: 25, Fe: 26, Zn: 30
 
@@ -756,4 +735,4 @@ def build_linked_CCs(basename: str, AA: bool = False, NA: bool = False,
     return cc_variants
 
 
-# XXX read from prepared? enumerate in stepwise? all protonation state variants, alter charge and update smiles/idx
\ No newline at end of file
+# XXX read from prepared? enumerate in stepwise? all protonation state variants, alter charge and update smiles/idx
diff --git a/meeko/linked_rdkit_chorizo.py b/meeko/linked_rdkit_chorizo.py
index 2da295f8..6a59e156 100644
--- a/meeko/linked_rdkit_chorizo.py
+++ b/meeko/linked_rdkit_chorizo.py
@@ -21,9 +21,11 @@
 from .utils.rdkitutils import AtomField
 from .utils.rdkitutils import build_one_rdkit_mol_per_altloc
 from .utils.rdkitutils import _aux_altloc_mol_build
+from .utils.rdkitutils import covalent_radius
 from .utils.pdbutils import PDBAtomInfo
-
-from .chemtempgen import *
+from .chemtempgen import export_chem_templates_to_json
+from .chemtempgen import build_noncovalent_CC
+from .chemtempgen import build_linked_CCs
 
 import numpy as np
 
@@ -128,28 +130,7 @@ def find_inter_mols_bonds(mols_dict):
     -------
 
     """
-    covalent_radius = {  # from wikipedia
-        1: 0.31,
-        5: 0.84,
-        6: 0.76,
-        7: 0.71,
-        8: 0.66,
-        9: 0.57,
-        12: 0.00,  # hack to avoid bonds with metals
-        14: 1.11,
-        15: 1.07,
-        16: 1.05,
-        17: 1.02,
-        # 19: 2.03,
-        20: 0.00,
-        # 24: 1.39,
-        25: 0.00,  # hack to avoid bonds with metals
-        26: 0.00,
-        30: 0.00,  # hack to avoid bonds with metals
-        # 34: 1.20,
-        35: 1.20,
-        53: 1.39,
-    }
+
     allowance = 1.2  # vina uses 1.1 but covalent radii are shorter here
     max_possible_covalent_radius = (
         2 * allowance * max([r for k, r in covalent_radius.items()])
diff --git a/meeko/molsetup.py b/meeko/molsetup.py
index 238c96e7..290bb0b4 100644
--- a/meeko/molsetup.py
+++ b/meeko/molsetup.py
@@ -1631,7 +1631,7 @@ def from_mol(
         return molsetup
 
     @staticmethod
-    def remove_elements(mol, to_rm=(12, 26, 25, 30)):
+    def remove_elements(mol, to_rm=(12, 20, 25, 26, 30)):
         idx_to_rm = {}
         neigh_idx_to_nr_h = {}
         rm_to_neigh = {}
@@ -1644,7 +1644,7 @@ def remove_elements(mol, to_rm=(12, 26, 25, 30)):
                     neigh_idx_to_nr_h[neigh.GetIdx()] = n
                     rm_to_neigh[atom.GetIdx()].add(neigh.GetIdx())
         if not idx_to_rm:
-            return Chem.Mol(mol), idx_to_rm
+            return Chem.Mol(mol), idx_to_rm, rm_to_neigh
         rwmol = Chem.EditableMol(mol)
         for idx in sorted(idx_to_rm, reverse=True):
             rwmol.RemoveAtom(idx)
diff --git a/meeko/utils/rdkitutils.py b/meeko/utils/rdkitutils.py
index a772c492..8c8851d1 100644
--- a/meeko/utils/rdkitutils.py
+++ b/meeko/utils/rdkitutils.py
@@ -249,3 +249,27 @@ def react_and_map(reactants: tuple[Chem.Mol], rxn: rdChemReactions.ChemicalReact
         outcomes.append((product, index_map))
 
     return outcomes
+
+
+covalent_radius = {  # from wikipedia
+    1: 0.31,
+    5: 0.84,
+    6: 0.76,
+    7: 0.71,
+    8: 0.66,
+    9: 0.57,
+    12: 0.00,  # hack to avoid bonds with metals
+    14: 1.11,
+    15: 1.07,
+    16: 1.05,
+    17: 1.02,
+    # 19: 2.03,
+    20: 0.00,
+    # 24: 1.39,
+    25: 0.00,  # hack to avoid bonds with metals
+    26: 0.00,
+    30: 0.00,  # hack to avoid bonds with metals
+    # 34: 1.20,
+    35: 1.20,
+    53: 1.39,
+}

From 041ccaca58205510ccf810d8f098f29ea566c15e Mon Sep 17 00:00:00 2001
From: diogom <diogom@scripps.edu>
Date: Thu, 24 Oct 2024 17:39:05 -0700
Subject: [PATCH 129/166] minor fixes, skip retry ligand fetch for HTTPError
 404

---
 meeko/chemtempgen.py          |  6 ++++--
 meeko/linked_rdkit_chorizo.py | 14 +++++++-------
 2 files changed, 11 insertions(+), 9 deletions(-)

diff --git a/meeko/chemtempgen.py b/meeko/chemtempgen.py
index 50232dec..521b383d 100644
--- a/meeko/chemtempgen.py
+++ b/meeko/chemtempgen.py
@@ -603,13 +603,15 @@ def fetch_from_pdb(resname: str, max_retries = 5, backoff_factor = 2) -> str:
             return temp_file.name 
             
         except Exception as e:
-            if retry < max_retries - 1: 
+            if isinstance(e, urllib.error.HTTPError) and e.getcode() == 404:
+                raise RuntimeError(f"Ligand {resname} not available from rcsb.org") from e
+            elif retry < max_retries - 1: 
                 wait_time = backoff_factor ** retry  
                 logging.info(f"Download failed for {resname}. Error: {e}. Retrying in {wait_time} seconds...")
                 time.sleep(wait_time)
             else:
                 err = f"Max retries reached. Could not download CIF file for {resname}. Error: {e}"
-                raise RuntimeError(err)
+                raise RuntimeError(err) from e
 
 # Constants for deprotonate
 acidic_proton_loc_canonical = {
diff --git a/meeko/linked_rdkit_chorizo.py b/meeko/linked_rdkit_chorizo.py
index 6a59e156..beec1acc 100644
--- a/meeko/linked_rdkit_chorizo.py
+++ b/meeko/linked_rdkit_chorizo.py
@@ -3,6 +3,7 @@
 import logging
 import traceback
 from os import linesep as os_linesep
+from sys import exc_info
 from typing import Union
 from typing import Optional
 
@@ -484,7 +485,7 @@ def __init__(self, error: str, recommendations: str = None):
         super().__init__(error) # main error message to pass to RuntimeError
         self.error = error
         self.recommendations = recommendations
-        exc_type, exc_value, exc_traceback = sys.exc_info()
+        exc_type, exc_value, exc_traceback = exc_info()
         if exc_value is not None: 
             self.traceback = ''.join(traceback.format_exception(exc_type, exc_value, exc_traceback))
         else:
@@ -724,8 +725,9 @@ def __init__(
         padders = residue_chem_templates.padders
         ambiguous = residue_chem_templates.ambiguous
 
-        # make sure all resiude_id in set_template exist
-        if set_template is not None:
+        if set_template is None:
+            set_template = {}
+        else:  # make sure all resiude_id in set_template exist
             missing = set(
                 [
                     residue_id
@@ -765,10 +767,8 @@ def __init__(
         
         unknown_res_from_assign = {}
         if set_template:
-            unknown_res_from_assign = {res_id: set_template[res_id] for res_id in set_template if res_id not in supported_resnames}
-            
-            if unknown_res_from_assign:
-                unknown_valid_res_from_assign = {k: v for k, v in unknown_res_from_assign.items() if v != "UNL"}
+            unknown_res_from_assign = {res_id: resn for res_id, resn in set_template.items() if resn not in supported_resnames}
+            unknown_valid_res_from_assign = {k: v for k, v in unknown_res_from_assign.items() if v != "UNL"}
             if unknown_valid_res_from_assign: 
                 err += f"Input residues {unknown_valid_res_from_assign} not in residue_templates" + os_linesep
             UNL_from_assign = {k: v for k, v in unknown_res_from_assign.items() if v == "UNL"}

From c80801f327092f5d86941c954952cf8c2d3dcabc Mon Sep 17 00:00:00 2001
From: diogom <diogom@scripps.edu>
Date: Thu, 24 Oct 2024 20:04:44 -0700
Subject: [PATCH 130/166] guard against CCD res not matching link SMARTS, avoid
 loading espaloma for zero charges

---
 meeko/chemtempgen.py | 6 +++---
 meeko/preparation.py | 2 +-
 2 files changed, 4 insertions(+), 4 deletions(-)

diff --git a/meeko/chemtempgen.py b/meeko/chemtempgen.py
index 521b383d..155be90b 100644
--- a/meeko/chemtempgen.py
+++ b/meeko/chemtempgen.py
@@ -689,9 +689,9 @@ def build_linked_CCs(basename: str, AA: bool = False, NA: bool = False,
                     "_5p": ({"[CX4]1[OX2][CX4][CX4][CX4]1[OX2][H]": {6}}, None), # 5' end nucleotide (extra phosphate than canonical X5)
                     "_5": ({"[O][PX4](=O)([O])[OX2][CX4]": {0,1,2,3}, "[CX4]1[OX2][CX4][CX4][CX4]1[OX2][H]": {6}}, {"[OX2][CX4][CX4]1[OX2][CX4][CX4][CX4]1[OX2]": {0}}), # 5' end nucleoside (canonical X5 in Amber)
                 }
-
-        editable = cc_from_cif.rdkit_mol.GetSubstructMatch(Chem.MolFromSmarts(embed_allowed_smarts))
-        if not editable:
+        if embed_allowed_smarts is not None:
+            editable = cc_from_cif.rdkit_mol.GetSubstructMatch(Chem.MolFromSmarts(embed_allowed_smarts))
+        if embed_allowed_smarts is None or not editable:
             logging.warning(f"Molecule doesn't contain embed_allowed_smarts: {embed_allowed_smarts} -> no templates will be made. ")
             return None
 
diff --git a/meeko/preparation.py b/meeko/preparation.py
index 51619bc8..7b10710f 100644
--- a/meeko/preparation.py
+++ b/meeko/preparation.py
@@ -170,7 +170,7 @@ def __init__(
         self.dihedral_model = dihedral_model
         self.dihedral_params = dihedral_list
 
-        if dihedral_model == "espaloma" or charge_model in ["espaloma", "zero"]:
+        if dihedral_model == "espaloma" or charge_model == "espaloma":
             self.espaloma_model = EspalomaTyper()
 
         self.reactive_smarts = reactive_smarts

From fd28bf609e6fb6af2a8a402dadbcaac41e9ec0d6 Mon Sep 17 00:00:00 2001
From: Amy He <ayhe1768@gmail.com>
Date: Thu, 24 Oct 2024 20:35:04 -0700
Subject: [PATCH 131/166] minor rewrite to handle linking fragments that are
 not NA or AA

---
 meeko/chemtempgen.py | 9 ++++++---
 1 file changed, 6 insertions(+), 3 deletions(-)

diff --git a/meeko/chemtempgen.py b/meeko/chemtempgen.py
index 155be90b..1bd4e7b1 100644
--- a/meeko/chemtempgen.py
+++ b/meeko/chemtempgen.py
@@ -689,9 +689,12 @@ def build_linked_CCs(basename: str, AA: bool = False, NA: bool = False,
                     "_5p": ({"[CX4]1[OX2][CX4][CX4][CX4]1[OX2][H]": {6}}, None), # 5' end nucleotide (extra phosphate than canonical X5)
                     "_5": ({"[O][PX4](=O)([O])[OX2][CX4]": {0,1,2,3}, "[CX4]1[OX2][CX4][CX4][CX4]1[OX2][H]": {6}}, {"[OX2][CX4][CX4]1[OX2][CX4][CX4][CX4]1[OX2]": {0}}), # 5' end nucleoside (canonical X5 in Amber)
                 }
-        if embed_allowed_smarts is not None:
-            editable = cc_from_cif.rdkit_mol.GetSubstructMatch(Chem.MolFromSmarts(embed_allowed_smarts))
-        if embed_allowed_smarts is None or not editable:
+        elif embed_allowed_smarts is None:
+           logging.warning(f"Unspecified embed_allowed_smarts for molecule -> no templates will be made. ")
+           return None
+        
+        editable = cc_from_cif.rdkit_mol.GetSubstructMatch(Chem.MolFromSmarts(embed_allowed_smarts))
+        if not editable:
             logging.warning(f"Molecule doesn't contain embed_allowed_smarts: {embed_allowed_smarts} -> no templates will be made. ")
             return None
 

From cb9a02bad2b96dc32916406bf56111d83ee9dbfe Mon Sep 17 00:00:00 2001
From: Amy He <ayhe1768@gmail.com>
Date: Thu, 24 Oct 2024 21:57:55 -0700
Subject: [PATCH 132/166] get H_excess parents idx

---
 meeko/linked_rdkit_chorizo.py | 13 ++++++++++---
 1 file changed, 10 insertions(+), 3 deletions(-)

diff --git a/meeko/linked_rdkit_chorizo.py b/meeko/linked_rdkit_chorizo.py
index 97b2a6f3..e83dc857 100644
--- a/meeko/linked_rdkit_chorizo.py
+++ b/meeko/linked_rdkit_chorizo.py
@@ -1118,7 +1118,7 @@ def _get_best_missing_Hs(results):
                 fail_log[-1].append("heavy missing")
             if result["heavy"]["excess"] > 0:
                 fail_log[-1].append("heavy excess")
-            if result["H"]["excess"] > 0:
+            if result["H"]["excess"]:
                 fail_log[-1].append("H excess")
             if len(result["bonds"]["excess"]) > 0:
                 fail_log[-1].append("bonds excess")
@@ -2380,7 +2380,7 @@ def match(self, input_mol):
         # atoms "missing" exist in self.mol but not in input_mol
         # "excess" atoms exist in input_mol but not in self.mol
         result = {
-            "H": {"found": 0, "missing": 0, "excess": 0},
+            "H": {"found": 0, "missing": 0, "excess": []},
             "heavy": {"found": 0, "missing": 0, "excess": 0},
         }
         for atom in self.mol.GetAtoms():
@@ -2390,7 +2390,14 @@ def match(self, input_mol):
         for atom in input_mol.GetAtoms():
             element = "H" if atom.GetAtomicNum() == 1 else "heavy"
             if atom.GetIdx() not in mapping_inv:
-                result[element]["excess"] += 1
+                if element == "H": 
+                    nei_idx = atom.GetNeighbors()[0].GetIdx()
+                    if nei_idx in mapping_inv: 
+                        result[element]["excess"].append(mapping_inv[nei_idx])
+                    else:
+                        result[element]["excess"].append(-1)
+                else:
+                    result[element]["excess"] += 1
         return result, mapping
 
 def rdkit_or_none_to_json(rdkit_mol):

From 37239a854b856de44cd649e472eed806ce8e276d Mon Sep 17 00:00:00 2001
From: Amy He <ayhe1768@gmail.com>
Date: Thu, 24 Oct 2024 22:01:53 -0700
Subject: [PATCH 133/166] continued get H_excess parents idx

---
 meeko/linked_rdkit_chorizo.py | 1 +
 1 file changed, 1 insertion(+)

diff --git a/meeko/linked_rdkit_chorizo.py b/meeko/linked_rdkit_chorizo.py
index e83dc857..d179334f 100644
--- a/meeko/linked_rdkit_chorizo.py
+++ b/meeko/linked_rdkit_chorizo.py
@@ -1267,6 +1267,7 @@ def _get_residues(
                     if (
                         all_stats["heavy_missing"][i]
                         or all_stats["heavy_excess"][i]
+                        or not set(all_stats["H_excess"][i]) <= set(candidate_templates[i].link_labels)
                         #or (all_stats["H_excess"][i] and not excess_H_ok)
                         #or len(all_stats["bonded_atoms_missing"][i])
                         or len(all_stats["bonded_atoms_excess"][i])

From d6516e6e23c1607766174bc59a15b05ee6bcfcb3 Mon Sep 17 00:00:00 2001
From: diogom <diogom@scripps.edu>
Date: Thu, 24 Oct 2024 22:57:57 -0700
Subject: [PATCH 134/166] fix gasteiger calc with metal aside for single atom
 mols

---
 meeko/molsetup.py | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/meeko/molsetup.py b/meeko/molsetup.py
index 290bb0b4..9d9216b4 100644
--- a/meeko/molsetup.py
+++ b/meeko/molsetup.py
@@ -1689,7 +1689,7 @@ def init_atom(self, assign_charges: bool, coords: list[np.ndarray]):
                     ok_charges.insert(i, 0.0)
                 nr_rm = len(idx_rm_to_formal_charge)
                 nr_added_h = copy_mol.GetNumAtoms() - self.mol.GetNumAtoms() + nr_rm
-                ok_charges = ok_charges[:-nr_added_h]
+                ok_charges = ok_charges[:len(ok_charges)-nr_added_h]
                 # print(f"{nr_added_h=}")
                 # print(f"{nr_rm=}")
                 # print(f"{idx_rm_to_formal_charge=}")

From 6dc2f25315f9b05dfe6cc11f013dd52c5bb56b45 Mon Sep 17 00:00:00 2001
From: diogom <diogom@scripps.edu>
Date: Thu, 24 Oct 2024 23:52:06 -0700
Subject: [PATCH 135/166] using module level logger instead of root logger

---
 meeko/chemtempgen.py | 77 +++++++++++++++++++++-----------------------
 1 file changed, 37 insertions(+), 40 deletions(-)

diff --git a/meeko/chemtempgen.py b/meeko/chemtempgen.py
index 1bd4e7b1..f65d6bb6 100644
--- a/meeko/chemtempgen.py
+++ b/meeko/chemtempgen.py
@@ -15,10 +15,9 @@
 from rdkit.Chem import rdmolops
 
 from rdkit import RDLogger
-logger = RDLogger.logger()
-logger.setLevel(RDLogger.CRITICAL)
 import sys, logging
-logging.basicConfig(stream=sys.stdout, level=logging.WARNING)
+
+logger = logging.getLogger(__name__)
 
 
 list_of_AD_elements_as_AtomicNum = list(covalent_radius.keys())
@@ -41,7 +40,7 @@ def get_atom_idx_by_names(mol: Chem.Mol, wanted_names: set[str] = set()) -> set[
     wanted_atoms_by_names = {atom for atom in mol.GetAtoms() if atom.GetProp('atom_id') in wanted_names}
     names_not_found = wanted_names.difference({atom.GetProp('atom_id') for atom in wanted_atoms_by_names})
     if names_not_found: 
-        logging.warning(f"Molecule doesn't contain the requested atoms with names: {names_not_found} -> continue with found names... ")
+        logger.warning(f"Molecule doesn't contain the requested atoms with names: {names_not_found} -> continue with found names... ")
     return {atom.GetIdx() for atom in wanted_atoms_by_names}
 
 
@@ -57,10 +56,10 @@ def get_atom_idx_by_patterns(mol: Chem.Mol, allowed_smarts: str,
     tmol = Chem.MolFromSmarts(allowed_smarts)
     match_allowed = mol.GetSubstructMatches(tmol)
     if not match_allowed:
-        logging.warning(f"Molecule doesn't contain allowed_smarts: {allowed_smarts} -> no pattern-based action will be made. ")
+        logger.warning(f"Molecule doesn't contain allowed_smarts: {allowed_smarts} -> no pattern-based action will be made. ")
         return set()
     if len(match_allowed) > 1 and not allow_multiple: 
-        logging.warning(f"Molecule contain multiple copies of allowed_smarts: {allowed_smarts} -> no pattern-based action will be made. ")
+        logger.warning(f"Molecule contain multiple copies of allowed_smarts: {allowed_smarts} -> no pattern-based action will be made. ")
         return set()
     if len(match_allowed) > 1 and allow_multiple:
         match_allowed = {item for sublist in match_allowed for item in sublist}
@@ -72,7 +71,7 @@ def get_atom_idx_by_patterns(mol: Chem.Mol, allowed_smarts: str,
         lmol = Chem.MolFromSmarts(wanted_smarts)
         match_wanted = mol.GetSubstructMatches(lmol)
         if not match_wanted:
-            logging.warning(f"Molecule doesn't contain wanted_smarts: {wanted_smarts} -> continue with next pattern... ")
+            logger.warning(f"Molecule doesn't contain wanted_smarts: {wanted_smarts} -> continue with next pattern... ")
             continue
         for match_copy in match_wanted:
             match_in_copy = (idx for idx in match_copy if match_copy.index(idx) in wanted_smarts_loc[wanted_smarts])
@@ -110,7 +109,7 @@ def embed(mol: Chem.Mol, allowed_smarts: str,
         leaving_atoms_idx.update(atom.GetIdx() for atom in leaving_Hs)
 
     if not leaving_atoms_idx:
-        logging.warning(f"No matched atoms to delete -> embed returning original mol...")
+        logger.warning(f"No matched atoms to delete -> embed returning original mol...")
         return mol
     
     rwmol = Chem.RWMol(mol)
@@ -140,7 +139,7 @@ def cap(mol: Chem.Mol, allowed_smarts: str,
         capping_atoms_idx.update(get_atom_idx_by_patterns(mol, allowed_smarts, capping_smarts_loc, allow_multiple = True))
 
     if not capping_atoms_idx:
-        logging.warning(f"No matched atoms to cap -> cap returning original mol...")
+        logger.warning(f"No matched atoms to cap -> cap returning original mol...")
         return mol
     
     def get_max_Hid(mol: Chem.Mol) -> int:
@@ -160,7 +159,7 @@ def get_max_Hid(mol: Chem.Mol) -> int:
             parent_atom.SetFormalCharge(parent_atom.GetFormalCharge() + 1)
         needed_Hs = parent_atom.GetNumImplicitHs()
         if needed_Hs == 0:
-            logging.warning(f"Atom # {atom_idx} ({parent_atom.GetProp('atom_id')}) in mol doesn't have implicit Hs -> continue with next atom... ")
+            logger.warning(f"Atom # {atom_idx} ({parent_atom.GetProp('atom_id')}) in mol doesn't have implicit Hs -> continue with next atom... ")
         else:
             new_atom = Chem.Atom("H")
             new_atom.SetProp('atom_id', f"H{new_Hid}")
@@ -187,7 +186,7 @@ def deprotonate(mol: Chem.Mol, acidic_proton_loc: dict[str, int] = None) -> Chem
         acidic_protons_idx.update(match[idx] for match in mol.GetSubstructMatches(qmol))
     
     if not acidic_protons_idx:
-        logging.warning(f"Molecule doesn't contain matching atoms for acidic_proton_loc:" + 
+        logger.warning(f"Molecule doesn't contain matching atoms for acidic_proton_loc:" + 
                         f"{acidic_proton_loc}" + 
                         f"-> deprotonate returning original mol... ")
         return mol
@@ -231,8 +230,8 @@ def recharge(rwmol: Chem.RWMol) -> Chem.RWMol:
         nonmetal_coord_atoms = set(atom for v_set in metal_to_nonmetal_neighbors.values() for atom in v_set)
         #if 1:
         if any(atom.GetFormalCharge() == 0 for atom in metal_atoms): 
-            logging.warning(f"Molecule contains metal with unspecified charge state -> charging nonmetal coordinated atoms...")
-            logging.warning(f"All metals will be neutralized and the nonmetal coordinated atoms will be charged according to their explicit valence. ")
+            logger.warning(f"Molecule contains metal with unspecified charge state -> charging nonmetal coordinated atoms...")
+            logger.warning(f"All metals will be neutralized and the nonmetal coordinated atoms will be charged according to their explicit valence. ")
             for atom in metal_atoms: 
                 atom.SetFormalCharge(0)
             for atom in nonmetal_coord_atoms: 
@@ -243,8 +242,8 @@ def recharge(rwmol: Chem.RWMol) -> Chem.RWMol:
         # -> ionize (break bonds w/) and charge down nonmetal coordinated atoms
         # (metal ox state will be from input charge state)
         else: 
-            logging.warning(f"Molecule contains metal specified charge state -> ionizing metal-nonmetal coordinate bonds...")
-            logging.warning(f"All metal-nonmetal coordinate bonds will be polarized. ")
+            logger.warning(f"Molecule contains metal specified charge state -> ionizing metal-nonmetal coordinate bonds...")
+            logger.warning(f"All metal-nonmetal coordinate bonds will be polarized. ")
             metal_bonds = {bond.GetIdx(): (bond.GetBeginAtomIdx(), bond.GetEndAtomIdx()) 
                                for metal in metal_atoms for bond in metal.GetBonds()}
 
@@ -262,7 +261,7 @@ def recharge(rwmol: Chem.RWMol) -> Chem.RWMol:
                     metal.SetFormalCharge(metal.GetFormalCharge() - 1)
                     nei.SetFormalCharge(nei.GetFormalCharge() + 1)
 
-        logging.warning(f"Total charge of the molecule after recharging: {sum(atom.GetFormalCharge() for atom in rwmol.GetAtoms())}")
+        logger.warning(f"Total charge of the molecule after recharging: {sum(atom.GetFormalCharge() for atom in rwmol.GetAtoms())}")
 
     return rwmol
 
@@ -309,27 +308,25 @@ def is_nonmetal_element(symbol: str) -> bool:
             smi = smi.replace(f"[{content}]", f"{H_stripped}" if 'H' in content else f"{content}")
     return smi
 
-
 class ChemicalComponent_LoggingControler:
 
     def __init__(self):
-        self.logger = logging.getLogger('ChemicalComponent')
-        self.original_level = self.logger.level
+        self.original_level = logger.level
         self.rdkit_logger = RDLogger.logger()
         self.default_rdkit_level = RDLogger.WARNING
+        self.handler = None
 
     def __enter__(self):
         self.rdkit_logger.setLevel(RDLogger.CRITICAL)
-        self.logger.setLevel(logging.WARNING)
-        handler = logging.StreamHandler(sys.stdout)
-        self.logger.addHandler(handler)
+        logger.setLevel(logging.WARNING)
+        self.handler = logging.StreamHandler(sys.stdout)
+        logger.addHandler(self.handler)
         return self
     
     def __exit__(self, exc_type, exc_value, traceback):
         self.rdkit_logger.setLevel(self.default_rdkit_level)
-        self.logger.setLevel(self.original_level)
-        for handler in self.logger.handlers:
-            self.logger.removeHandler(handler)
+        logger.setLevel(self.original_level)
+        logger.removeHandler(self.handler)
 
 
 class ChemicalComponent:
@@ -385,7 +382,7 @@ def from_cif(cls, source_cif: str, resname: str):
 
         # Check if rwmol contains unexpected elements
         if mol_contains_unexpected_element(rwmol):
-            logging.warning(f"Molecule contains unexpected elements -> template for {resname} will be None. ")
+            logger.warning(f"Molecule contains unexpected elements -> template for {resname} will be None. ")
             return None
 
         # Map atom_id (atom names) with rdkit idx
@@ -427,20 +424,20 @@ def from_cif(cls, source_cif: str, resname: str):
         try:
             rwmol = recharge(rwmol)
         except Exception as e:
-            logging.error(f"Failed to recharge rdkitmol. Error: {e} -> template for {resname} will be None. ")
+            logger.error(f"Failed to recharge rdkitmol. Error: {e} -> template for {resname} will be None. ")
             return None
 
         # Finish eidting mol 
         try:    
             rwmol.UpdatePropertyCache()
         except Exception as e:
-            logging.error(f"Failed to create rdkitmol from cif. Error: {e} -> template for {resname} will be None. ")
+            logger.error(f"Failed to create rdkitmol from cif. Error: {e} -> template for {resname} will be None. ")
             return None
         
         # Check implicit Hs
         total_implicit_hydrogens = sum(atom.GetNumImplicitHs() for atom in rwmol.GetAtoms())
         if total_implicit_hydrogens > 0:
-            logging.error(f"rdkitmol from cif has implicit hydrogens. -> template for {resname} will be None. ")
+            logger.error(f"rdkitmol from cif has implicit hydrogens. -> template for {resname} will be None. ")
             return None
 
         rdkit_mol = rwmol.GetMol()
@@ -485,9 +482,9 @@ def make_link_labels_from_patterns(self, pattern_to_label_mapping = {}):
                                                 wanted_smarts_loc = {pattern: {0}})
             atoms_in_mol = [atom for atom in self.rdkit_mol.GetAtoms()]
             if not atom_idx:
-                logging.warning(f"Molecule doesn't contain pattern: {pattern} -> linker label for {pattern_to_label_mapping[pattern]} will not be made. ")
+                logger.warning(f"Molecule doesn't contain pattern: {pattern} -> linker label for {pattern_to_label_mapping[pattern]} will not be made. ")
             elif len(atom_idx) > 1:
-                logging.warning(f"Molecule contain multiple copies of pattern: {pattern} -> linker label for {pattern_to_label_mapping[pattern]} will not be made. ")
+                logger.warning(f"Molecule contain multiple copies of pattern: {pattern} -> linker label for {pattern_to_label_mapping[pattern]} will not be made. ")
             else:
                 atom_idx = next(iter(atom_idx))
                 name = atoms_in_mol[atom_idx].GetProp('atom_id')
@@ -592,7 +589,7 @@ def fetch_from_pdb(resname: str, max_retries = 5, backoff_factor = 2) -> str:
         try:
             with urllib.request.urlopen(url) as response:
                 content = response.read()
-            logging.info(f"File downloaded successfully: {file_path}")
+            logger.info(f"File downloaded successfully: {file_path}")
             with tempfile.NamedTemporaryFile(delete=False, suffix=".cif") as temp_file:
                 temp_file.write(content)
             atexit.register(
@@ -607,7 +604,7 @@ def fetch_from_pdb(resname: str, max_retries = 5, backoff_factor = 2) -> str:
                 raise RuntimeError(f"Ligand {resname} not available from rcsb.org") from e
             elif retry < max_retries - 1: 
                 wait_time = backoff_factor ** retry  
-                logging.info(f"Download failed for {resname}. Error: {e}. Retrying in {wait_time} seconds...")
+                logger.info(f"Download failed for {resname}. Error: {e}. Retrying in {wait_time} seconds...")
                 time.sleep(wait_time)
             else:
                 err = f"Max retries reached. Could not download CIF file for {resname}. Error: {e}"
@@ -690,19 +687,19 @@ def build_linked_CCs(basename: str, AA: bool = False, NA: bool = False,
                     "_5": ({"[O][PX4](=O)([O])[OX2][CX4]": {0,1,2,3}, "[CX4]1[OX2][CX4][CX4][CX4]1[OX2][H]": {6}}, {"[OX2][CX4][CX4]1[OX2][CX4][CX4][CX4]1[OX2]": {0}}), # 5' end nucleoside (canonical X5 in Amber)
                 }
         elif embed_allowed_smarts is None:
-           logging.warning(f"Unspecified embed_allowed_smarts for molecule -> no templates will be made. ")
+           logger.warning(f"Unspecified embed_allowed_smarts for molecule -> no templates will be made. ")
            return None
         
         editable = cc_from_cif.rdkit_mol.GetSubstructMatch(Chem.MolFromSmarts(embed_allowed_smarts))
         if not editable:
-            logging.warning(f"Molecule doesn't contain embed_allowed_smarts: {embed_allowed_smarts} -> no templates will be made. ")
+            logger.warning(f"Molecule doesn't contain embed_allowed_smarts: {embed_allowed_smarts} -> no templates will be made. ")
             return None
 
         cc_variants = []
         for suffix in variant_dict:
             cc = copy.deepcopy(cc_from_cif)
             cc.resname += suffix
-            logging.info(f"*** using CCD residue {basename} to construct {cc.resname} ***")
+            logger.info(f"*** using CCD residue {basename} to construct {cc.resname} ***")
 
             cc = (
                 cc
@@ -711,7 +708,7 @@ def build_linked_CCs(basename: str, AA: bool = False, NA: bool = False,
                             leaving_smarts_loc = variant_dict[suffix][0])
                 )
             if len(rdmolops.GetMolFrags(cc.rdkit_mol))>1:
-                logging.warning(f"Molecule breaks into fragments during the deleterious editing of {cc.resname} -> skipping the vaiant... ")
+                logger.warning(f"Molecule breaks into fragments during the deleterious editing of {cc.resname} -> skipping the vaiant... ")
                 continue
 
             cc = (
@@ -727,16 +724,16 @@ def build_linked_CCs(basename: str, AA: bool = False, NA: bool = False,
                 cc.ResidueTemplate_check()
             except Exception as e:
                 err = f"Template {cc.resname} Failed to pass ResidueTemplate check. Error: {e}"
-                logging.error(err)
+                logger.error(err)
                 continue
             
             # Check redundancy
             if any(cc == other_variant for other_variant in cc_variants):
-                logging.error(f"Template Failed to pass redundancy check -> skipping the template... ")
+                logger.error(f"Template Failed to pass redundancy check -> skipping the template... ")
                 continue
 
             cc_variants.append(cc)
-            logging.info(f"*** finish making {cc.resname} ***")
+            logger.info(f"*** finish making {cc.resname} ***")
     return cc_variants
 
 

From 1ea7eb434120ead7583c4a80fc7dc06db06ffdc1 Mon Sep 17 00:00:00 2001
From: diogom <diogom@scripps.edu>
Date: Fri, 25 Oct 2024 17:18:27 -0700
Subject: [PATCH 136/166] partially support multiple bonds between each pair of
 residues

partially because the second and subsequent bonds between each
pair will not have their padding atoms updated with the positions
of the adjacent residues (like blunt ends)
---
 meeko/linked_rdkit_chorizo.py                 | 36 +++++++++----------
 test/linked_rdkit_chorizo_creation_test.py    | 13 +++++++
 .../disulfide_bridge_in_adjacent_residues.pdb | 29 +++++++++++++++
 3 files changed, 59 insertions(+), 19 deletions(-)
 create mode 100644 test/linked_rdkit_chorizo_data/disulfide_bridge_in_adjacent_residues.pdb

diff --git a/meeko/linked_rdkit_chorizo.py b/meeko/linked_rdkit_chorizo.py
index beec1acc..cabfdb37 100644
--- a/meeko/linked_rdkit_chorizo.py
+++ b/meeko/linked_rdkit_chorizo.py
@@ -740,15 +740,6 @@ def __init__(
                     f"Residue IDs in set_template not found: {missing} {raw_input_mols.keys()}"
                 )
 
-        # currently allowing only one bond per residue pair
-        if any([len(v) > 1 for k, v in bonds.items()]):
-            msg = "got more than one bond between some residue pairs:"
-            for key, value in bonds.items():
-                if len(value) > 1:
-                    msg += f" {key}"
-            raise ValueError(msg)
-        bonds = {k: v[0] for k, v in bonds.items()}
-
         # check if input assigned residue name in residue_templates
         err = ""
         supported_resnames = residue_templates.keys() | ambiguous.keys()
@@ -788,7 +779,7 @@ def __init__(
             all_unknown_res = unknown_res_from_input.copy()
             all_unknown_res.update(unknown_res_from_assign)
 
-            bonded_unknown_res = {res_id: all_unknown_res[res_id] for res_id in all_unknown_res if any(tup for tup in bonds if res_id in tup)}
+            bonded_unknown_res = {res_id: all_unknown_res[res_id] for res_id in all_unknown_res if res_id in bonds}
             
             unbound_unknown_res = all_unknown_res.copy()
             for key in bonded_unknown_res:
@@ -844,14 +835,14 @@ def __init__(
         )
 
         _bonds = {}
-        for key, bond in bonds.items():
+        for key, bond_list in bonds.items():
             res1 = self.residues[key[0]]
             res2 = self.residues[key[1]]
             if res1.rdkit_mol is None or res2.rdkit_mol is None:
                 continue
             invmap1 = {j: i for i, j in res1.mapidx_to_raw.items()}
             invmap2 = {j: i for i, j in res2.mapidx_to_raw.items()}
-            _bonds[key] = (invmap1[bond[0]], invmap2[bond[1]])
+            _bonds[key] = [(invmap1[b[0]], invmap2[b[1]]) for b in bond_list]
         bonds = _bonds
 
         # padding may seem overkill but we had to run a reaction anyway for h_coord_from_dipep
@@ -1315,11 +1306,12 @@ def _get_residues(
             if blunt_ends is None:
                 blunt_ends = []
             raw_atoms_with_bonds = []
-            for (r1, r2), (i, j) in bonds.items():
-                if r1 == residue_key:
-                    raw_atoms_with_bonds.append(i)
-                if r2 == residue_key:
-                    raw_atoms_with_bonds.append(j)
+            for (r1, r2), bond_list in bonds.items():
+                for i, j in bond_list:
+                    if r1 == residue_key:
+                        raw_atoms_with_bonds.append(i)
+                    if r2 == residue_key:
+                        raw_atoms_with_bonds.append(j)
 
             all_stats = {
                 "heavy_missing": [],
@@ -1481,10 +1473,16 @@ def _build_padded_mols(residues, bonds, padders):
                 atom.GetIdx(): atom.GetIdx() for atom in padded_mol.GetAtoms()
             }
             for atom_index, link_label in residue.link_labels.items():
-                adjacent_rid  = None
+                adjacent_rid = None
                 adjacent_mol = None
                 adjacent_atom_index = None
-                for (r1_id, r2_id), (i1, i2) in bonds.items():
+                for (r1_id, r2_id), bond_list in bonds.items():
+                    # TODO the second and subsequent bonds between a pair of
+                    # residues will not update the padding atoms with the
+                    # positions of the adjacent residues. This is OK, the same
+                    # happens for blunt residues, because the adjacent residue
+                    # is missing.
+                    i1, i2 = bond_list[0]
                     if r1_id == residue_id and i1 == atom_index:
                         adjacent_rid = r2_id
                         adjacent_atom_index = i2
diff --git a/test/linked_rdkit_chorizo_creation_test.py b/test/linked_rdkit_chorizo_creation_test.py
index 7987e01c..d8f4eae7 100644
--- a/test/linked_rdkit_chorizo_creation_test.py
+++ b/test/linked_rdkit_chorizo_creation_test.py
@@ -25,6 +25,7 @@
 insertion_code = pkgdir / "test/linked_rdkit_chorizo_data/1igy_B_82-83_has-icode.pdb"
 non_sequential_res = pkgdir / "test/linked_rdkit_chorizo_data/non-sequential-res.pdb"
 has_altloc = pkgdir / "test/linked_rdkit_chorizo_data/has-altloc.pdb"
+disulfide_adjacent = pkgdir / "test/linked_rdkit_chorizo_data/disulfide_bridge_in_adjacent_residues.pdb"
 
 
 # TODO: add checks for untested chorizo fields (e.g. input options not indicated here)
@@ -403,3 +404,15 @@ def test_altloc():
         if name == "OG":
             break
     assert abs(xyz[index][0] - 12.346) < 0.001
+
+def test_disulfide_adjacent():
+    """ disulfide bridge in adjacent residues broke a version of the code
+        that assumed only one bond between each pair of residues
+    """
+    with open(disulfide_adjacent, "r") as f:
+        pdb_text = f.read()
+    chorizo = LinkedRDKitChorizo.from_pdb_string(
+        pdb_text,
+        chem_templates,
+        mk_prep,
+    )
diff --git a/test/linked_rdkit_chorizo_data/disulfide_bridge_in_adjacent_residues.pdb b/test/linked_rdkit_chorizo_data/disulfide_bridge_in_adjacent_residues.pdb
new file mode 100644
index 00000000..6f600eaa
--- /dev/null
+++ b/test/linked_rdkit_chorizo_data/disulfide_bridge_in_adjacent_residues.pdb
@@ -0,0 +1,29 @@
+CRYST1  233.000  267.422   73.139  90.00  90.00  90.00 P 21 21 2    80
+ATOM      1  N   SER G 186      87.780 121.587  34.139  1.00 17.63      G    N  
+ATOM      2  CA  SER G 186      87.481 120.490  35.061  1.00 19.18      G    C  
+ATOM      3  C   SER G 186      86.239 120.784  35.901  1.00 19.64      G    C  
+ATOM      4  O   SER G 186      85.581 119.868  36.388  1.00 19.46      G    O  
+ATOM      5  CB  SER G 186      88.695 120.228  35.972  1.00 19.74      G    C  
+ATOM      6  OG  SER G 186      89.595 119.250  35.417  1.00 22.35      G    O  
+ATOM      7  N   CYS G 187      85.941 122.072  36.044  1.00 20.11      G    N  
+ATOM      8  CA  CYS G 187      84.819 122.610  36.791  1.00 20.95      G    C  
+ATOM      9  C   CYS G 187      83.465 122.202  36.250  1.00 21.24      G    C  
+ATOM     10  O   CYS G 187      82.504 122.084  37.011  1.00 21.20      G    O  
+ATOM     11  CB  CYS G 187      84.903 124.159  36.740  1.00 22.08      G    C  
+ATOM     12  SG  CYS G 187      84.272 124.967  35.209  1.00 25.14      G    S  
+ATOM     13  N   CYS G 188      83.378 122.046  34.927  1.00 21.63      G    N  
+ATOM     14  CA  CYS G 188      82.093 122.018  34.213  1.00 22.09      G    C  
+ATOM     15  C   CYS G 188      82.110 121.121  32.954  1.00 21.15      G    C  
+ATOM     16  O   CYS G 188      83.142 120.921  32.355  1.00 21.46      G    O  
+ATOM     17  CB  CYS G 188      81.690 123.456  33.849  1.00 22.89      G    C  
+ATOM     18  SG  CYS G 188      82.223 124.761  35.004  1.00 26.42      G    S  
+ATOM     19  N   PRO G 189      80.979 120.587  32.526  1.00 20.71      G    N  
+ATOM     20  CA  PRO G 189      81.000 119.599  31.427  1.00 20.34      G    C  
+ATOM     21  C   PRO G 189      81.070 120.183  29.988  1.00 19.58      G    C  
+ATOM     22  O   PRO G 189      81.602 119.530  29.095  1.00 18.94      G    O  
+ATOM     23  CB  PRO G 189      79.723 118.787  31.662  1.00 20.32      G    C  
+ATOM     24  CG  PRO G 189      78.748 119.767  32.390  1.00 20.43      G    C  
+ATOM     25  CD  PRO G 189      79.614 120.862  33.023  1.00 21.08      G    C  
+TER   
+HETATM   26  O   HOH G2056      88.268 122.391  38.090  1.00 63.88      UA   O  
+END

From 68ea82359dad09b96031f5cc00e28c71ac45b09f Mon Sep 17 00:00:00 2001
From: Amy He <ayhe1768@gmail.com>
Date: Fri, 25 Oct 2024 17:38:05 -0700
Subject: [PATCH 137/166] 3-round match

---
 meeko/linked_rdkit_chorizo.py | 34 +++++++++++++++++++++++++---------
 1 file changed, 25 insertions(+), 9 deletions(-)

diff --git a/meeko/linked_rdkit_chorizo.py b/meeko/linked_rdkit_chorizo.py
index d179334f..9eaa8263 100644
--- a/meeko/linked_rdkit_chorizo.py
+++ b/meeko/linked_rdkit_chorizo.py
@@ -1118,7 +1118,7 @@ def _get_best_missing_Hs(results):
                 fail_log[-1].append("heavy missing")
             if result["heavy"]["excess"] > 0:
                 fail_log[-1].append("heavy excess")
-            if result["H"]["excess"]:
+            if len(result["H"]["excess"]) > 0:
                 fail_log[-1].append("H excess")
             if len(result["bonds"]["excess"]) > 0:
                 fail_log[-1].append("bonds excess")
@@ -1251,25 +1251,41 @@ def _get_residues(
                 all_stats["bonded_atoms_excess"].append(bonded_atoms_excess)
 
             passed = []
-            for i in range(len(all_stats["H_excess"])):
+
+            embedded_indices = [index for index, template in enumerate(candidate_templates) if len(template.link_labels) >= 2]
+            # 1st round
+            for i in embedded_indices:
                 if (
                     all_stats["heavy_missing"][i]
                     or all_stats["heavy_excess"][i]
-                    or (all_stats["H_excess"][i] and not excess_H_ok)
-                    or len(all_stats["bonded_atoms_missing"][i])
+                    or all_stats["H_excess"][i]
+                    or all_stats["bonded_atoms_missing"][i]
                     or len(all_stats["bonded_atoms_excess"][i])
                 ):
                     continue
                 passed.append(i)
 
-            if len(passed) == 0: # forgive residues neaby a gap
-                for i in range(len(all_stats["H_excess"])):
+            # 2nd round
+            if len(passed) == 0: 
+                for i in embedded_indices:
+                    if (
+                        all_stats["heavy_missing"][i]
+                        or all_stats["heavy_excess"][i]
+                        or (not set(all_stats["H_excess"][i]) <= set(candidate_templates[i].link_labels) and not excess_H_ok)
+                        or not all_stats["bonded_atoms_missing"][i] <= set(candidate_templates[i].link_labels)
+                        or len(all_stats["bonded_atoms_excess"][i])
+                    ):
+                        continue
+                    passed.append(i)
+
+            # 3rd round
+            if len(passed) == 0: 
+                for i in range(len(candidate_templates)):
                     if (
                         all_stats["heavy_missing"][i]
                         or all_stats["heavy_excess"][i]
-                        or not set(all_stats["H_excess"][i]) <= set(candidate_templates[i].link_labels)
-                        #or (all_stats["H_excess"][i] and not excess_H_ok)
-                        #or len(all_stats["bonded_atoms_missing"][i])
+                        or (all_stats["H_excess"][i] and not excess_H_ok)
+                        or len(all_stats["bonded_atoms_missing"][i])
                         or len(all_stats["bonded_atoms_excess"][i])
                     ):
                         continue

From eb6a69c0800874864a267491e2bc7f4f2072cbbc Mon Sep 17 00:00:00 2001
From: Amy He <ayhe1768@gmail.com>
Date: Sat, 26 Oct 2024 15:15:38 -0700
Subject: [PATCH 138/166] 1. bugfix bonded_unknown_res; 2. rewrite NA, AA
 options for build_linked_CCs

---
 meeko/chemtempgen.py          | 152 +++++++++++++++++++++++-----------
 meeko/linked_rdkit_chorizo.py |   5 +-
 2 files changed, 105 insertions(+), 52 deletions(-)

diff --git a/meeko/chemtempgen.py b/meeko/chemtempgen.py
index f65d6bb6..713c2cb9 100644
--- a/meeko/chemtempgen.py
+++ b/meeko/chemtempgen.py
@@ -9,7 +9,28 @@
 import atexit
 import os
 
-from .utils.rdkitutils import covalent_radius
+covalent_radius = {  # from wikipedia
+    1: 0.31,
+    5: 0.84,
+    6: 0.76,
+    7: 0.71,
+    8: 0.66,
+    9: 0.57,
+    12: 0.00,  # hack to avoid bonds with metals
+    14: 1.11,
+    15: 1.07,
+    16: 1.05,
+    17: 1.02,
+    # 19: 2.03,
+    20: 0.00,
+    # 24: 1.39,
+    25: 0.00,  # hack to avoid bonds with metals
+    26: 0.00,
+    30: 0.00,  # hack to avoid bonds with metals
+    # 34: 1.20,
+    35: 1.20,
+    53: 1.39,
+}
 
 from rdkit import Chem
 from rdkit.Chem import rdmolops
@@ -621,9 +642,6 @@ def fetch_from_pdb(resname: str, max_retries = 5, backoff_factor = 2) -> str:
         '[H][SX2][a]': 0, # thiophenol
     }
 
-AA_embed_allowed_smarts = "[NX3]([H])([H])[CX4][CX3](=O)[O]"
-NA_embed_allowed_smarts = "[O][PX4](=O)([O])[OX2][CX4][CX4]1[OX2][CX4][CX4][CX4]1[OX2][H]"
-
 # Make free (noncovalent) CC
 def build_noncovalent_CC(basename: str) -> ChemicalComponent: 
 
@@ -653,53 +671,16 @@ def build_noncovalent_CC(basename: str) -> ChemicalComponent:
     return cc
 
 
-def build_linked_CCs(basename: str, AA: bool = False, NA: bool = False, 
-                     embed_allowed_smarts: str = None, 
-                     cap_allowed_smarts: str = None, cap_protonate: bool = False, 
-                     pattern_to_label_mapping_standard = dict[str, str], 
-                     variant_dict = dict[str, tuple]) -> list[ChemicalComponent]: 
-
-    with ChemicalComponent_LoggingControler(): 
-        cc_from_cif = ChemicalComponent.from_cif(fetch_from_pdb(basename), basename)
-        if cc_from_cif is None:
-            return None
-
-        if AA or cc_from_cif.rdkit_mol.GetSubstructMatch(Chem.MolFromSmarts(AA_embed_allowed_smarts)): 
-            embed_allowed_smarts = AA_embed_allowed_smarts
-            cap_allowed_smarts = "[NX3][CX4][CX3](=O)"
-            cap_protonate = True
-            pattern_to_label_mapping_standard = {'[NX3h1]': 'N-term', '[CX3h1]': 'C-term'}
-
-            variant_dict = {
-                    "_":  ({"[NX3]([H])([H])[CX4][CX3](=O)[O]": {1, 6}}, None), # embedded amino acid
-                    "_N": ({"[NX3]([H])([H])[CX4][CX3](=O)[O]": {6}}, {"[NX3][CX4][CX3](=O)": {0}}), # N-term amino acid
-                    "_C": ({"[NX3]([H])([H])[CX4][CX3](=O)[O]": {1}}, None), # C-term amino acid
-                }
-        elif NA or cc_from_cif.rdkit_mol.GetSubstructMatch(Chem.MolFromSmarts(NA_embed_allowed_smarts)): 
-            embed_allowed_smarts = NA_embed_allowed_smarts
-            cap_allowed_smarts = "[OX2][CX4][CX4]1[OX2][CX4][CX4][CX4]1[OX2]"
-            cap_protonate = False
-            pattern_to_label_mapping_standard = {'[PX4h1]': '5-prime', '[O+0X2h1]': '3-prime'}
-            variant_dict = {
-                    "_":  ({"[O][PX4](=O)([O])[OX2][CX4]": {0} ,"[CX4]1[OX2][CX4][CX4][CX4]1[OX2][H]": {6}}, None), # embedded nucleotide 
-                    "_3": ({"[O][PX4](=O)([O])[OX2][CX4]": {0}}, None), # 3' end nucleotide 
-                    "_5p": ({"[CX4]1[OX2][CX4][CX4][CX4]1[OX2][H]": {6}}, None), # 5' end nucleotide (extra phosphate than canonical X5)
-                    "_5": ({"[O][PX4](=O)([O])[OX2][CX4]": {0,1,2,3}, "[CX4]1[OX2][CX4][CX4][CX4]1[OX2][H]": {6}}, {"[OX2][CX4][CX4]1[OX2][CX4][CX4][CX4]1[OX2]": {0}}), # 5' end nucleoside (canonical X5 in Amber)
-                }
-        elif embed_allowed_smarts is None:
-           logger.warning(f"Unspecified embed_allowed_smarts for molecule -> no templates will be made. ")
-           return None
-        
-        editable = cc_from_cif.rdkit_mol.GetSubstructMatch(Chem.MolFromSmarts(embed_allowed_smarts))
-        if not editable:
-            logger.warning(f"Molecule doesn't contain embed_allowed_smarts: {embed_allowed_smarts} -> no templates will be made. ")
-            return None
+def add_variants(cc_orig: ChemicalComponent, cc_list: list[ChemicalComponent] = [], 
+                 embed_allowed_smarts: str = None, 
+                 cap_allowed_smarts: str = None, cap_protonate: bool = False, 
+                 pattern_to_label_mapping_standard = dict[str, str], 
+                 variant_dict = dict[str, tuple]) -> list[ChemicalComponent]: 
 
-        cc_variants = []
         for suffix in variant_dict:
-            cc = copy.deepcopy(cc_from_cif)
+            cc = copy.deepcopy(cc_orig)
             cc.resname += suffix
-            logger.info(f"*** using CCD residue {basename} to construct {cc.resname} ***")
+            logger.info(f"*** using CCD residue {cc.parent} to construct {cc.resname} ***")
 
             cc = (
                 cc
@@ -728,12 +709,83 @@ def build_linked_CCs(basename: str, AA: bool = False, NA: bool = False,
                 continue
             
             # Check redundancy
-            if any(cc == other_variant for other_variant in cc_variants):
+            if any(cc == other_variant for other_variant in cc_list):
                 logger.error(f"Template Failed to pass redundancy check -> skipping the template... ")
                 continue
 
-            cc_variants.append(cc)
+            cc_list.append(cc)
             logger.info(f"*** finish making {cc.resname} ***")
+
+        return cc_list
+
+
+class AA_recipe: 
+
+    embed_allowed_smarts = "[NX3]([H])([H])[CX4][CX3](=O)[O]"
+    cap_allowed_smarts = "[NX3][CX4][CX3](=O)"
+    cap_protonate = True
+    pattern_to_label_mapping_standard = {'[NX3h1]': 'N-term', '[CX3h1]': 'C-term'}
+
+    variant_dict = {
+            "":  ({"[NX3]([H])([H])[CX4][CX3](=O)[O]": {1, 6}}, None), # embedded amino acid
+            "_N": ({"[NX3]([H])([H])[CX4][CX3](=O)[O]": {6}}, {"[NX3][CX4][CX3](=O)": {0}}), # N-term amino acid
+            "_C": ({"[NX3]([H])([H])[CX4][CX3](=O)[O]": {1}}, None), # C-term amino acid
+        }
+    
+class NA_recipe: 
+
+    embed_allowed_smarts = "[O][PX4](=O)([O])[OX2][CX4][CX4]1[OX2][CX4][CX4][CX4]1[OX2][H]"
+    cap_allowed_smarts = "[OX2][CX4][CX4]1[OX2][CX4][CX4][CX4]1[OX2]"
+    cap_protonate = False
+    pattern_to_label_mapping_standard = {'[PX4h1]': '5-prime', '[O+0X2h1]': '3-prime'}
+    variant_dict = {
+            "_":  ({"[O][PX4](=O)([O])[OX2][CX4]": {0} ,"[CX4]1[OX2][CX4][CX4][CX4]1[OX2][H]": {6}}, None), # embedded nucleotide 
+            "_3": ({"[O][PX4](=O)([O])[OX2][CX4]": {0}}, None), # 3' end nucleotide 
+            "_5p": ({"[CX4]1[OX2][CX4][CX4][CX4]1[OX2][H]": {6}}, None), # 5' end nucleotide (extra phosphate than canonical X5)
+            "_5": ({"[O][PX4](=O)([O])[OX2][CX4]": {0,1,2,3}, "[CX4]1[OX2][CX4][CX4][CX4]1[OX2][H]": {6}}, {"[OX2][CX4][CX4]1[OX2][CX4][CX4][CX4]1[OX2]": {0}}), # 5' end nucleoside (canonical X5 in Amber)
+        }
+
+def build_linked_CCs(basename: str, embed_allowed_smarts: str = None, 
+                     cap_allowed_smarts: str = None, cap_protonate: bool = False, 
+                     pattern_to_label_mapping_standard = dict[str, str], 
+                     variant_dict = dict[str, tuple]) -> list[ChemicalComponent]: 
+
+    with ChemicalComponent_LoggingControler(): 
+        cc_from_cif = ChemicalComponent.from_cif(fetch_from_pdb(basename), basename)
+        if cc_from_cif is None:
+            return None
+        
+        # when no specific recipe is provided
+        if not embed_allowed_smarts:
+            # interpret possible embedding type
+            AA = cc_from_cif.rdkit_mol.GetSubstructMatch(Chem.MolFromSmarts(AA_recipe.embed_allowed_smarts))
+            NA = cc_from_cif.rdkit_mol.GetSubstructMatch(Chem.MolFromSmarts(NA_recipe.embed_allowed_smarts))
+
+            if not AA and not NA: 
+                logger.warning(f"Unspecified embed_allowed_smarts for molecule. -> no templates will be made. ")
+                return None
+            
+        else: 
+            # check if custom embedding is editable
+            editable = cc_from_cif.rdkit_mol.GetSubstructMatch(Chem.MolFromSmarts(embed_allowed_smarts))
+            if not editable:
+                logger.warning(f"Molecule doesn't contain embed_allowed_smarts: {embed_allowed_smarts} -> no templates will be made. ")
+                return None
+        
+        cc_variants = []
+        if AA: 
+            cc_variants = add_variants(cc_orig = cc_from_cif, cc_list = cc_variants, 
+                            embed_allowed_smarts = AA_recipe.embed_allowed_smarts, 
+                            cap_allowed_smarts = AA_recipe.cap_allowed_smarts, cap_protonate = AA_recipe.cap_protonate, 
+                            pattern_to_label_mapping_standard = AA_recipe.pattern_to_label_mapping_standard, 
+                            variant_dict = AA_recipe.variant_dict)
+        if NA:
+            cc_variants = add_variants(cc_orig = cc_from_cif, cc_list = cc_variants, 
+                embed_allowed_smarts = NA_recipe.embed_allowed_smarts, 
+                cap_allowed_smarts = NA_recipe.cap_allowed_smarts, cap_protonate = NA_recipe.cap_protonate, 
+                pattern_to_label_mapping_standard = NA_recipe.pattern_to_label_mapping_standard, 
+                variant_dict = NA_recipe.variant_dict)
+            
     return cc_variants
 
 
diff --git a/meeko/linked_rdkit_chorizo.py b/meeko/linked_rdkit_chorizo.py
index cabfdb37..420b862f 100644
--- a/meeko/linked_rdkit_chorizo.py
+++ b/meeko/linked_rdkit_chorizo.py
@@ -779,8 +779,9 @@ def __init__(
             all_unknown_res = unknown_res_from_input.copy()
             all_unknown_res.update(unknown_res_from_assign)
 
-            bonded_unknown_res = {res_id: all_unknown_res[res_id] for res_id in all_unknown_res if res_id in bonds}
-            
+            bonded_unknown_res = {res_id: all_unknown_res[res_id] for res_id in all_unknown_res 
+                                  if any(res_id in respair for respair in bonds)}
+
             unbound_unknown_res = all_unknown_res.copy()
             for key in bonded_unknown_res:
                 unbound_unknown_res.pop(key, None) 

From 05e2d5902370224b833a39cc245571c334d570d5 Mon Sep 17 00:00:00 2001
From: Amy He <ayhe1768@gmail.com>
Date: Sat, 26 Oct 2024 15:29:32 -0700
Subject: [PATCH 139/166] (continued) rewrite build_linked_CCs to handle
 linking fragments that could be embedded as both NA and AA

---
 meeko/chemtempgen.py | 30 ++++++++----------------------
 1 file changed, 8 insertions(+), 22 deletions(-)

diff --git a/meeko/chemtempgen.py b/meeko/chemtempgen.py
index 713c2cb9..ec1c8661 100644
--- a/meeko/chemtempgen.py
+++ b/meeko/chemtempgen.py
@@ -9,28 +9,7 @@
 import atexit
 import os
 
-covalent_radius = {  # from wikipedia
-    1: 0.31,
-    5: 0.84,
-    6: 0.76,
-    7: 0.71,
-    8: 0.66,
-    9: 0.57,
-    12: 0.00,  # hack to avoid bonds with metals
-    14: 1.11,
-    15: 1.07,
-    16: 1.05,
-    17: 1.02,
-    # 19: 2.03,
-    20: 0.00,
-    # 24: 1.39,
-    25: 0.00,  # hack to avoid bonds with metals
-    26: 0.00,
-    30: 0.00,  # hack to avoid bonds with metals
-    # 34: 1.20,
-    35: 1.20,
-    53: 1.39,
-}
+from .utils.rdkitutils import covalent_radius
 
 from rdkit import Chem
 from rdkit.Chem import rdmolops
@@ -771,6 +750,13 @@ def build_linked_CCs(basename: str, embed_allowed_smarts: str = None,
             if not editable:
                 logger.warning(f"Molecule doesn't contain embed_allowed_smarts: {embed_allowed_smarts} -> no templates will be made. ")
                 return None
+            
+            if not any(item is None for item in (cap_allowed_smarts, pattern_to_label_mapping_standard, variant_dict)):
+                return add_variants(cc_orig = cc_from_cif, cc_list = [], 
+                            embed_allowed_smarts = embed_allowed_smarts, 
+                            cap_allowed_smarts = cap_allowed_smarts, cap_protonate = cap_protonate, 
+                            pattern_to_label_mapping_standard = pattern_to_label_mapping_standard, 
+                            variant_dict = variant_dict)
         
         cc_variants = []
         if AA: 

From a983fe2f19fb115b2eb021ed0066e89aaeaaec63 Mon Sep 17 00:00:00 2001
From: Amy He <ayhe1768@gmail.com>
Date: Sat, 26 Oct 2024 15:49:50 -0700
Subject: [PATCH 140/166] small edit of warning message

---
 meeko/chemtempgen.py | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/meeko/chemtempgen.py b/meeko/chemtempgen.py
index ec1c8661..164f48b5 100644
--- a/meeko/chemtempgen.py
+++ b/meeko/chemtempgen.py
@@ -741,7 +741,7 @@ def build_linked_CCs(basename: str, embed_allowed_smarts: str = None,
             NA = cc_from_cif.rdkit_mol.GetSubstructMatch(Chem.MolFromSmarts(NA_recipe.embed_allowed_smarts))
 
             if not AA and not NA: 
-                logger.warning(f"Unspecified embed_allowed_smarts for molecule. -> no templates will be made. ")
+                logger.warning(f"Molecule doesn't contain the standard backbone of nucleotides or amino acids. -> no templates will be made. ")
                 return None
             
         else: 

From ad53cae5bf8a09f530cf4ad58c9b7b9df28d8a02 Mon Sep 17 00:00:00 2001
From: Amy He <ayhe1768@gmail.com>
Date: Sat, 26 Oct 2024 19:50:21 -0700
Subject: [PATCH 141/166] clean up redundant lines

---
 meeko/chemtempgen.py | 11 +----------
 1 file changed, 1 insertion(+), 10 deletions(-)

diff --git a/meeko/chemtempgen.py b/meeko/chemtempgen.py
index 164f48b5..cf058669 100644
--- a/meeko/chemtempgen.py
+++ b/meeko/chemtempgen.py
@@ -228,7 +228,7 @@ def recharge(rwmol: Chem.RWMol) -> Chem.RWMol:
         metal_to_nonmetal_neighbors = {metal: {atom for atom in metal.GetNeighbors() 
                                                if atom.GetAtomicNum() not in metal_AtomicNums} for metal in metal_atoms}
         nonmetal_coord_atoms = set(atom for v_set in metal_to_nonmetal_neighbors.values() for atom in v_set)
-        #if 1:
+
         if any(atom.GetFormalCharge() == 0 for atom in metal_atoms): 
             logger.warning(f"Molecule contains metal with unspecified charge state -> charging nonmetal coordinated atoms...")
             logger.warning(f"All metals will be neutralized and the nonmetal coordinated atoms will be charged according to their explicit valence. ")
@@ -397,15 +397,6 @@ def from_cif(cls, source_cif: str, resname: str):
         bond_table = block.find(bond_category, bond_attributes)
         bond_cols = {attr: bond_table.find_column(f"{bond_category}{attr}") for attr in bond_attributes}
 
-        # Populate bond table
-        bond_category = '_chem_comp_bond.'
-        bond_attributes = ['atom_id_1', # atom name 1
-                           'atom_id_2', # atom name 2
-                           'value_order', # bond order
-                           ]
-        bond_table = block.find(bond_category, bond_attributes)
-        bond_cols = {attr: bond_table.find_column(f"{bond_category}{attr}") for attr in bond_attributes}
-
         # Connect atoms by bonds
         bond_type_mapping = {
             'SING': Chem.BondType.SINGLE,

From aa17d634756f2b9bc3c59db6ca0756d4a55733cf Mon Sep 17 00:00:00 2001
From: Amy He <ayhe1768@gmail.com>
Date: Sun, 27 Oct 2024 19:12:06 -0700
Subject: [PATCH 142/166] bugfix set change size during iteration

---
 meeko/chemtempgen.py | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/meeko/chemtempgen.py b/meeko/chemtempgen.py
index cf058669..c3421716 100644
--- a/meeko/chemtempgen.py
+++ b/meeko/chemtempgen.py
@@ -105,7 +105,7 @@ def embed(mol: Chem.Mol, allowed_smarts: str,
 
     if leaving_atoms_idx and alsoHs:
         atoms_in_mol = [atom for atom in mol.GetAtoms()]
-        leaving_Hs = (ne for atom_idx in leaving_atoms_idx for ne in atoms_in_mol[atom_idx].GetNeighbors() if ne.GetAtomicNum() == 1)
+        leaving_Hs = (ne for atom_idx in leaving_atoms_idx.copy() for ne in atoms_in_mol[atom_idx].GetNeighbors() if ne.GetAtomicNum() == 1)
         leaving_atoms_idx.update(atom.GetIdx() for atom in leaving_Hs)
 
     if not leaving_atoms_idx:

From 707e308322e69a8262f1fb3c7892c40df7b08d4f Mon Sep 17 00:00:00 2001
From: Amy He <ayhe1768@gmail.com>
Date: Sun, 27 Oct 2024 20:55:45 -0700
Subject: [PATCH 143/166] Add residue templates to disambiguate Amber resname
 and CCD names

---
 meeko/data/residue_chem_templates.json | 2948 +++++++++++++++++++++++-
 meeko/linked_rdkit_chorizo.py          |    8 +-
 2 files changed, 2952 insertions(+), 4 deletions(-)

diff --git a/meeko/data/residue_chem_templates.json b/meeko/data/residue_chem_templates.json
index 484c9def..151d7edd 100644
--- a/meeko/data/residue_chem_templates.json
+++ b/meeko/data/residue_chem_templates.json
@@ -32,7 +32,114 @@
 		"THR": ["THR", "NTHR", "CTHR"],
 		"VAL": ["VAL", "NVAL", "CVAL"],
 		"TRP": ["TRP", "NTRP", "CTRP"],
-		"TYR": ["TYR", "NTYR", "CTYR"]
+		"TYR": ["TYR", "NTYR", "CTYR"],
+        "HYP": ["HYP", "HYP_fl-ccd"],
+        "MTB": ["MTB", "MTB_fl-ccd"],
+        "NLE": ["NLE", "NLE_N", "NLE_C", "NLE_fl-ccd", "NLE_C-ccd"],
+        "NHE": ["NHE", "NHE_fl-ccd"],
+        "S1P": ["S1P", "S1P_N", "S1P_C", "S1P_fl-ccd"],
+        "SEP": ["SEP", "SEP_N", "SEP_C", "SEP_fl-ccd", "SEP_C-ccd"],
+        "T1P": ["T1P", "T1P_N", "T1P_C", "T1P_fl-ccd"],
+        "TPO": ["TPO", "TPO_N", "TPO_C", "TPO_fl-ccd", "TPO_C-ccd"],
+        "Y1P": ["Y1P", "Y1P_N", "Y1P_C", "Y1P_fl-ccd"],
+        "PTR": ["PTR", "PTR_N", "PTR_C", "PTR_fl-ccd", "PTR_C-ccd"],
+        "H1D": ["H1D", "H1D_N", "H1D_C", "H1D_fl-ccd", "H1D-ccd", "H1D_N-ccd", "H1D_C-ccd"],
+        "H2D": ["H2D", "H2D_N", "H2D_C", "H2D_fl-ccd"],
+        "H2E": ["H2E", "H2E_N", "H2E_C", "H2E_fl-ccd"],
+        "ALY": ["ALY", "ALY_N", "ALY_C", "ALY_fl-ccd", "ALY_C-ccd"],
+        "AZF": ["AZF", "AZF_N", "AZF_C", "AZF_fl-ccd"],
+        "CNX": ["CNX", "CNX_N", "CNX_C", "CNX_fl-ccd"],
+        "CN": ["CN_", "CN_fl-ccd"],
+        "OHE": ["OHE_", "OHE_fl-ccd"],
+        "AMP": ["AMP_", "AMP_fl-ccd", "AMP_-ccd", "AMP_3-ccd", "AMP_5p-ccd", "AMP_5-ccd"],
+        "CMP": ["CMP_", "CMP_fl-ccd"],
+        "GMP": ["GMP_", "GMP_fl-ccd"],
+        "UMP": ["UMP_", "UMP_fl-ccd", "UMP_-ccd", "UMP_3-ccd", "UMP_5p-ccd", "UMP_5-ccd"],
+        "DAN": ["DAN_", "DAN_fl-ccd"],
+        "DCN": ["DCN_", "DCN_fl-ccd"],
+        "DGN": ["DGN_", "DGN_fl-ccd", "DGN-ccd", "DGN_N-ccd", "DGN_C-ccd"],
+        "DTN": ["DTN_", "DTN_fl-ccd"],
+        "13P": ["13P_", "13P_3", "13P_5p", "13P_5", "13P_fl-ccd"],
+        "1MA": ["1MA_", "1MA_3", "1MA_5p", "1MA_5", "1MA_fl-ccd", "1MA_-ccd", "1MA_3-ccd", "1MA_5p-ccd", "1MA_5-ccd"],
+        "1MG": ["1MG_", "1MG_3", "1MG_5p", "1MG_5", "1MG_fl-ccd", "1MG_5p-ccd"],
+        "1MI": ["1MI_", "1MI_3", "1MI_5p", "1MI_5", "1MI_fl-ccd"],
+        "26A": ["26A_", "26A_3", "26A_5p", "26A_5", "26A_fl-ccd"],
+        "27G": ["27G_", "27G_3", "27G_5p", "27G_5", "27G_fl-ccd"],
+        "2MA": ["2MA_", "2MA_3", "2MA_5p", "2MA_5", "2MA_fl-ccd", "2MA_-ccd", "2MA_3-ccd", "2MA_5p-ccd", "2MA_5-ccd"],
+        "2MG": ["2MG_", "2MG_3", "2MG_5p", "2MG_5", "2MG_fl-ccd", "2MG_5p-ccd"],
+        "2RG": ["2RG_", "2RG_3", "2RG_5p", "2RG_5", "2RG_fl-ccd"],
+        "3AU": ["3AU_", "3AU_3", "3AU_5p", "3AU_5", "3AU_fl-ccd", "3AU-ccd", "3AU_N-ccd", "3AU_C-ccd", "3AU_-ccd", "3AU_3-ccd", "3AU_5p-ccd", "3AU_5-ccd"],
+        "3MC": ["3MC_", "3MC_3", "3MC_5p", "3MC_5", "3MC_fl-ccd"],
+        "3MP": ["3MP_", "3MP_3", "3MP_5p", "3MP_5", "3MP_fl-ccd"],
+        "3MU": ["3MU_", "3MU_3", "3MU_5p", "3MU_5", "3MU_fl-ccd", "3MU_5p-ccd"],
+        "4AC": ["4AC_", "4AC_3", "4AC_5p", "4AC_5", "4AC_fl-ccd", "4AC_5p-ccd"],
+        "4MC": ["4MC_", "4MC_3", "4MC_5p", "4MC_5", "4MC_fl-ccd"],
+        "5CU": ["5CU_", "5CU_3", "5CU_5p", "5CU_5", "5CU_fl-ccd"],
+        "5DU": ["5DU_", "5DU_3", "5DU_5p", "5DU_5", "5DU_fl-ccd"],
+        "5FC": ["5FC_", "5FC_3", "5FC_5p", "5FC_5", "5FC_fl-ccd", "5FC_-ccd", "5FC_3-ccd", "5FC_5p-ccd", "5FC_5-ccd"],
+        "5HU": ["5HU_", "5HU_3", "5HU_5p", "5HU_5", "5HU_fl-ccd", "5HU_-ccd", "5HU_3-ccd", "5HU_5p-ccd", "5HU_5-ccd"],
+        "5MC": ["5MC_", "5MC_3", "5MC_5p", "5MC_5", "5MC_fl-ccd", "5MC_5p-ccd"],
+        "5MU": ["5MU_", "5MU_3", "5MU_5p", "5MU_5", "5MU_fl-ccd", "5MU_5p-ccd"],
+        "66A": ["66A_", "66A_3", "66A_5p", "66A_5", "66A_fl-ccd"],
+        "6GA": ["6GA_", "6GA_3", "6GA_5p", "6GA_5", "6GA_fl-ccd"],
+        "6IA": ["6IA_", "6IA_3", "6IA_5p", "6IA_5", "6IA_fl-ccd", "6IA_-ccd", "6IA_3-ccd", "6IA_5p-ccd", "6IA_5-ccd"],
+        "6MA": ["6MA_", "6MA_3", "6MA_5p", "6MA_5", "6MA_fl-ccd", "6MA_-ccd", "6MA_3-ccd", "6MA_5p-ccd", "6MA_5-ccd"],
+        "6TA": ["6TA_", "6TA_3", "6TA_5p", "6TA_5", "6TA_fl-ccd"],
+        "7MG": ["7MG_", "7MG_3", "7MG_5p", "7MG_5", "7MG_fl-ccd", "7MG_-ccd", "7MG_3-ccd", "7MG_5p-ccd", "7MG_5-ccd"],
+        "BCU": ["BCU_", "BCU_3", "BCU_5p", "BCU_5", "BCU_fl-ccd"],
+        "BUG": ["BUG_", "BUG_3", "BUG_5p", "BUG_5", "BUG_fl-ccd", "BUG-ccd", "BUG_N-ccd", "BUG_C-ccd"],
+        "CMU": ["CMU_", "CMU_3", "CMU_5p", "CMU_5", "CMU_fl-ccd"],
+        "DAG": ["DAG_", "DAG_3", "DAG_5p", "DAG_5", "DAG_fl-ccd"],
+        "DHU": ["DHU_", "DHU_3", "DHU_5p", "DHU_5", "DHU_fl-ccd", "DHU_5p-ccd"],
+        "DMA": ["DMA_", "DMA_3", "DMA_5p", "DMA_5", "DMA_fl-ccd"],
+        "DMG": ["DMG_", "DMG_3", "DMG_5p", "DMG_5", "DMG_fl-ccd"],
+        "DMU": ["DMU_", "DMU_3", "DMU_5p", "DMU_5", "DMU_fl-ccd"],
+        "DWG": ["DWG_", "DWG_3", "DWG_5p", "DWG_5", "DWG_fl-ccd"],
+        "EQG": ["EQG_", "EQG_3", "EQG_5p", "EQG_5", "EQG_fl-ccd"],
+        "HCU": ["HCU_", "HCU_3", "HCU_5p", "HCU_5", "HCU_fl-ccd"],
+        "HIA": ["HIA_", "HIA_3", "HIA_5p", "HIA_5", "HIA_fl-ccd"],
+        "HMC": ["HMC_", "HMC_3", "HMC_5p", "HMC_5", "HMC_fl-ccd"],
+        "HNA": ["HNA_", "HNA_3", "HNA_5p", "HNA_5", "HNA_fl-ccd"],
+        "HWG": ["HWG_", "HWG_3", "HWG_5p", "HWG_5", "HWG_fl-ccd"],
+        "INO": ["INO_", "INO_3", "INO_5p", "INO_5", "INO_fl-ccd"],
+        "IWG": ["IWG_", "IWG_3", "IWG_5p", "IWG_5", "IWG_fl-ccd"],
+        "K2C": ["K2C_", "K2C_3", "K2C_5p", "K2C_5", "K2C_fl-ccd"],
+        "M1G": ["M1G_", "M1G_3", "M1G_5p", "M1G_5", "M1G_fl-ccd", "M1G_-ccd", "M1G_3-ccd", "M1G_5p-ccd", "M1G_5-ccd"],
+        "M2A": ["M2A_", "M2A_3", "M2A_5p", "M2A_5", "M2A_fl-ccd", "M2A_5p-ccd"],
+        "M3U": ["M3U_", "M3U_3", "M3U_5p", "M3U_5", "M3U_fl-ccd"],
+        "M4C": ["M4C_", "M4C_3", "M4C_5p", "M4C_5", "M4C_fl-ccd", "M4C_5p-ccd"],
+        "MAU": ["MAU_", "MAU_3", "MAU_5p", "MAU_5", "MAU_fl-ccd"],
+        "MCU": ["MCU_", "MCU_3", "MCU_5p", "MCU_5", "MCU_fl-ccd"],
+        "MEU": ["MEU_", "MEU_3", "MEU_5p", "MEU_5", "MEU_fl-ccd", "MEU_C-ccd"],
+        "MFC": ["MFC_", "MFC_3", "MFC_5p", "MFC_5", "MFC_fl-ccd"],
+        "MMA": ["MMA_", "MMA_3", "MMA_5p", "MMA_5", "MMA_fl-ccd"],
+        "MMG": ["MMG_", "MMG_3", "MMG_5p", "MMG_5", "MMG_fl-ccd"],
+        "MMI": ["MMI_", "MMI_3", "MMI_5p", "MMI_5", "MMI_fl-ccd"],
+        "MMU": ["MMU_", "MMU_3", "MMU_5p", "MMU_5", "MMU_fl-ccd"],
+        "MRA": ["MRA_", "MRA_3", "MRA_5p", "MRA_5", "MRA_fl-ccd"],
+        "MRC": ["MRC_", "MRC_3", "MRC_5p", "MRC_5", "MRC_fl-ccd"],
+        "MRG": ["MRG_", "MRG_3", "MRG_5p", "MRG_5", "MRG_fl-ccd", "MRG_-ccd", "MRG_3-ccd", "MRG_5p-ccd", "MRG_5-ccd"],
+        "MRI": ["MRI_", "MRI_3", "MRI_5p", "MRI_5", "MRI_fl-ccd"],
+        "MRP": ["MRP_", "MRP_3", "MRP_5p", "MRP_5", "MRP_fl-ccd"],
+        "MRU": ["MRU_", "MRU_3", "MRU_5p", "MRU_5", "MRU_fl-ccd"],
+        "MTA": ["MTA_", "MTA_3", "MTA_5p", "MTA_5", "MTA_fl-ccd"],
+        "MTG": ["MTG_", "MTG_3", "MTG_5p", "MTG_5", "MTG_fl-ccd"],
+        "N2G": ["N2G_", "N2G_3", "N2G_5p", "N2G_5", "N2G_fl-ccd", "N2G_-ccd", "N2G_3-ccd", "N2G_5p-ccd", "N2G_5-ccd"],
+        "OAU": ["OAU_", "OAU_3", "OAU_5p", "OAU_5", "OAU_fl-ccd"],
+        "OCU": ["OCU_", "OCU_3", "OCU_5p", "OCU_5", "OCU_fl-ccd"],
+        "OEU": ["OEU_", "OEU_3", "OEU_5p", "OEU_5", "OEU_fl-ccd"],
+        "OMU": ["OMU_", "OMU_3", "OMU_5p", "OMU_5", "OMU_fl-ccd", "OMU_-ccd", "OMU_3-ccd", "OMU_5p-ccd", "OMU_5-ccd"],
+        "PBG": ["PBG_", "PBG_3", "PBG_5p", "PBG_5", "PBG_fl-ccd"],
+        "PSU": ["PSU_", "PSU_3", "PSU_5p", "PSU_5", "PSU_fl-ccd", "PSU_5p-ccd"],
+        "QGG": ["QGG_", "QGG_3", "QGG_5p", "QGG_5", "QGG_fl-ccd"],
+        "QMG": ["QMG_", "QMG_3", "QMG_5p", "QMG_5", "QMG_fl-ccd"],
+        "QUG": ["QUG_", "QUG_3", "QUG_5p", "QUG_5", "QUG_fl-ccd"],
+        "SIA": ["SIA_", "SIA_3", "SIA_5p", "SIA_5", "SIA_fl-ccd"],
+        "SMA": ["SMA_", "SMA_3", "SMA_5p", "SMA_5", "SMA_fl-ccd"],
+        "SPA": ["SPA_", "SPA_3", "SPA_5p", "SPA_5", "SPA_fl-ccd"],
+        "STA": ["STA_", "STA_3", "STA_5p", "STA_5", "STA_fl-ccd"],
+        "WBG": ["WBG_", "WBG_3", "WBG_5p", "WBG_5", "WBG_fl-ccd"],
+        "WMG": ["WMG_", "WMG_3", "WMG_5p", "WMG_5", "WMG_fl-ccd"]
 	},
 
 	"padders": {
@@ -683,6 +790,2841 @@
 			"smiles": "[O-]C(=O)C([H])(N1)C([H])([H])C([H])([H])C1([H])[H]",
 			"atom_name": ["OXT", "C", "O", "CA", "HA", "N", "CB", "HB3", "HB2", "CG", "HG2", "HG3", "CD", "HD2", "HD3"],
 			"link_labels": {"5": "N-term"}
-		}
-	}
+		},
+        "HYP": {
+            "smiles": "[H]OC1([H])C([H])([H])N([H])C([H])(C([H])=O)C1([H])[H]",
+            "atom_name": ["HD1", "OD1", "CG", "HG", "CD", "HD22", "HD23", "N", "H_h", "CA", "HA", "C", "H_t", "O", "CB", "HB2", "HB3"],
+            "link_labels": {}
+        },
+        "HYP_fl-ccd": {
+            "smiles": "[H]OC1([H])C([H])([H])N([H])C([H])(C(=O)[O-])C1([H])[H]",
+            "atom_name": ["HD1", "OD1", "CG", "HG", "CD", "HD22", "HD23", "N", "H", "CA", "HA", "C", "O", "OXT", "CB", "HB2", "HB3"],
+            "link_labels": {}
+        },
+        "MTB": {
+            "smiles": "[H]C([H])([H])[S-]",
+            "atom_name": ["HB1", "CB", "HB2", "HB3", "SG"],
+            "link_labels": {}
+        },
+        "MTB_fl-ccd": {
+            "smiles": "[H]OC1=C([H])C([H])=C(N=NC2=C([H])C([H])=C([H])C([H])=C2C(=O)[O-])C([H])=C1C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H]",
+            "atom_name": ["HO4'", "O4'", "C4'", "C5'", "H5'", "C6'", "H6'", "C1'", "N1'", "N1", "C1", "C6", "H6", "C5", "H5", "C4", "H4", "C3", "H3", "C2", "C", "O", "OXT", "C2'", "H2'", "C3'", "CT3", "CHV", "H11", "H12", "H13", "CHW", "H21", "H22", "H23", "CHX", "H31", "H32", "H33"],
+            "link_labels": {}
+        },
+        "NLE": {
+            "smiles": "[H]NC([H])(C=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H]",
+            "atom_name": ["H", "N", "CA", "HA", "C", "O", "CB", "HB2", "HB3", "CG", "HG2", "HG3", "CD", "HD2", "HD3", "CE", "HE1", "HE2", "HE3"],
+            "link_labels": {"1": "N-term", "4": "C-term"}
+        },
+        "NLE_N": {
+            "smiles": "[H]N([H])C([H])(C=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H]",
+            "atom_name": ["H_h", "N", "H", "CA", "HA", "C", "O", "CB", "HB2", "HB3", "CG", "HG2", "HG3", "CD", "HD2", "HD3", "CE", "HE1", "HE2", "HE3"],
+            "link_labels": {"5": "C-term"}
+        },
+        "NLE_C": {
+            "smiles": "[H]NC([H])(C([H])=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H]",
+            "atom_name": ["H", "N", "CA", "HA", "C", "H_t", "O", "CB", "HB2", "HB3", "CG", "HG2", "HG3", "CD", "HD2", "HD3", "CE", "HE1", "HE2", "HE3"],
+            "link_labels": {"1": "N-term"}
+        },
+        "NLE_fl-ccd": {
+            "smiles": "[H]N([H])C([H])(C(=O)[O-])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H]",
+            "atom_name": ["H", "N", "H2", "CA", "HA", "C", "O", "OXT", "CB", "HB2", "HB3", "CG", "HG2", "HG3", "CD", "HD2", "HD3", "CE", "HE1", "HE2", "HE3"],
+            "link_labels": {}
+        },
+        "NLE_C-ccd": {
+            "smiles": "[H]NC([H])(C(=O)[O-])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H]",
+            "atom_name": ["H2", "N", "CA", "HA", "C", "O", "OXT", "CB", "HB2", "HB3", "CG", "HG2", "HG3", "CD", "HD2", "HD3", "CE", "HE1", "HE2", "HE3"],
+            "link_labels": {"1": "N-term"}
+        },
+        "NHE": {
+            "smiles": "[H]N([H])[H]",
+            "atom_name": ["H_h", "N", "HN1", "HN2"],
+            "link_labels": {}
+        },
+        "NHE_fl-ccd": {
+            "smiles": "[H]N(C([H])([H])C([H])([H])S(=O)(=O)[O-])C1([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C1([H])[H]",
+            "atom_name": ["HN", "N", "C1", "HC11", "HC12", "C2", "HC21", "HC22", "S", "O1", "O2", "O3", "C1'", "HC'1", "C2'", "H2'1", "H2'2", "C3'", "H3'1", "H3'2", "C4'", "H4'1", "H4'2", "C5'", "H5'1", "H5'2", "C6'", "H6'1", "H6'2"],
+            "link_labels": {}
+        },
+        "S1P": {
+            "smiles": "[H]NC([H])(C=O)C([H])([H])OP(=O)([O-])O[H]",
+            "atom_name": ["H", "N", "CA", "HA", "C", "O", "CB", "HB2", "HB3", "OG", "P", "O2P", "O3P", "O1P", "H1P"],
+            "link_labels": {"1": "N-term", "4": "C-term"}
+        },
+        "S1P_N": {
+            "smiles": "[H]OP(=O)([O-])OC([H])([H])C([H])(C=O)N([H])[H]",
+            "atom_name": ["H1P", "O1P", "P", "O2P", "O3P", "OG", "CB", "HB2", "HB3", "CA", "HA", "C", "O", "N", "H_h", "H"],
+            "link_labels": {"11": "C-term"}
+        },
+        "S1P_C": {
+            "smiles": "[H]NC([H])(C([H])=O)C([H])([H])OP(=O)([O-])O[H]",
+            "atom_name": ["H", "N", "CA", "HA", "C", "H_t", "O", "CB", "HB2", "HB3", "OG", "P", "O2P", "O3P", "O1P", "H1P"],
+            "link_labels": {"1": "N-term"}
+        },
+        "S1P_fl-ccd": {
+            "smiles": "[H]OC([H])(C([H])=C([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C([H])(N([H])[H])C([H])([H])OP(=O)([O-])[O-]",
+            "atom_name": ["HO3", "O3", "C3", "H3", "C4", "H4", "C5", "H5", "C6", "H6", "H6A", "C7", "H7", "H7A", "C8", "H8", "H8A", "C9", "H9", "H9A", "C10", "H10", "H10A", "C11", "H11", "H11A", "C12", "H12", "H12A", "C13", "H13", "H13A", "C14", "H14", "H14A", "C15", "H15", "H15A", "C16", "H16", "H16A", "C17", "H17", "H17A", "C18", "H18", "H18A", "H18B", "C2", "H2", "N2", "HN2", "HN2A", "C1", "H1", "H1A", "O1", "P22", "O25", "O23", "O24"],
+            "link_labels": {}
+        },
+        "SEP": {
+            "smiles": "[H]NC([H])(C=O)C([H])([H])OP(=O)([O-])[O-]",
+            "atom_name": ["H", "N", "CA", "HA", "C", "O", "CB", "HB2", "HB3", "OG", "P", "O1P", "O2P", "O3P"],
+            "link_labels": {"1": "N-term", "4": "C-term"}
+        },
+        "SEP_N": {
+            "smiles": "[H]N([H])C([H])(C=O)C([H])([H])OP(=O)([O-])[O-]",
+            "atom_name": ["H_h", "N", "H", "CA", "HA", "C", "O", "CB", "HB2", "HB3", "OG", "P", "O1P", "O2P", "O3P"],
+            "link_labels": {"5": "C-term"}
+        },
+        "SEP_C": {
+            "smiles": "[H]NC([H])(C([H])=O)C([H])([H])OP(=O)([O-])[O-]",
+            "atom_name": ["H", "N", "CA", "HA", "C", "H_t", "O", "CB", "HB2", "HB3", "OG", "P", "O1P", "O2P", "O3P"],
+            "link_labels": {"1": "N-term"}
+        },
+        "SEP_fl-ccd": {
+            "smiles": "[H]N([H])C([H])(C(=O)[O-])C([H])([H])OP(=O)([O-])[O-]",
+            "atom_name": ["H", "N", "H2", "CA", "HA", "C", "O", "OXT", "CB", "HB2", "HB3", "OG", "P", "O1P", "O2P", "O3P"],
+            "link_labels": {}
+        },
+        "SEP_C-ccd": {
+            "smiles": "[H]NC([H])(C(=O)[O-])C([H])([H])OP(=O)([O-])[O-]",
+            "atom_name": ["H2", "N", "CA", "HA", "C", "O", "OXT", "CB", "HB2", "HB3", "OG", "P", "O1P", "O2P", "O3P"],
+            "link_labels": {"1": "N-term"}
+        },
+        "T1P": {
+            "smiles": "[H]NC([H])(C=O)C([H])(OP(=O)([O-])O[H])C([H])([H])[H]",
+            "atom_name": ["H", "N", "CA", "HA", "C", "O", "CB", "HB", "OG1", "P", "O2P", "O3P", "O1P", "H1P", "CG2", "HG21", "HG22", "HG23"],
+            "link_labels": {"1": "N-term", "4": "C-term"}
+        },
+        "T1P_N": {
+            "smiles": "[H]OP(=O)([O-])OC([H])(C([H])([H])[H])C([H])(C=O)N([H])[H]",
+            "atom_name": ["H1P", "O1P", "P", "O2P", "O3P", "OG1", "CB", "HB", "CG2", "HG21", "HG22", "HG23", "CA", "HA", "C", "O", "N", "H_h", "H"],
+            "link_labels": {"14": "C-term"}
+        },
+        "T1P_C": {
+            "smiles": "[H]NC([H])(C([H])=O)C([H])(OP(=O)([O-])O[H])C([H])([H])[H]",
+            "atom_name": ["H", "N", "CA", "HA", "C", "H_t", "O", "CB", "HB", "OG1", "P", "O2P", "O3P", "O1P", "H1P", "CG2", "HG21", "HG22", "HG23"],
+            "link_labels": {"1": "N-term"}
+        },
+        "T1P_fl-ccd": {
+            "smiles": "[H]OC([H])([H])C([H])(O[H])C([H])(O[H])C([H])(O[H])C([H])([H])N1C(=O)N(C([H])([H])C([H])([H])C([H])([H])OP(=O)([O-])[O-])C2=C1N([H])C(=O)N([H])C2=O",
+            "atom_name": ["H26", "O26", "C14", "H141", "H142", "C13", "H13", "O23", "H23", "C12", "H12", "O21", "H21", "C11", "H11", "O19", "H19", "C10", "H101", "H102", "N7", "C6", "O6", "N5", "C15", "H151", "H152", "C16", "H161", "H162", "C17", "H171", "H172", "O27", "P", "O32", "O33", "O31", "C9", "C8", "N1", "H1", "C2", "O2", "N3", "H3", "C4", "O4"],
+            "link_labels": {}
+        },
+        "TPO": {
+            "smiles": "[H]NC([H])(C=O)C([H])(OP(=O)([O-])[O-])C([H])([H])[H]",
+            "atom_name": ["H", "N", "CA", "HA", "C", "O", "CB", "HB", "OG1", "P", "O1P", "O2P", "O3P", "CG2", "HG21", "HG22", "HG23"],
+            "link_labels": {"1": "N-term", "4": "C-term"}
+        },
+        "TPO_N": {
+            "smiles": "[H]N([H])C([H])(C=O)C([H])(OP(=O)([O-])[O-])C([H])([H])[H]",
+            "atom_name": ["H_h", "N", "H", "CA", "HA", "C", "O", "CB", "HB", "OG1", "P", "O1P", "O2P", "O3P", "CG2", "HG21", "HG22", "HG23"],
+            "link_labels": {"5": "C-term"}
+        },
+        "TPO_C": {
+            "smiles": "[H]NC([H])(C([H])=O)C([H])(OP(=O)([O-])[O-])C([H])([H])[H]",
+            "atom_name": ["H", "N", "CA", "HA", "C", "H_t", "O", "CB", "HB", "OG1", "P", "O1P", "O2P", "O3P", "CG2", "HG21", "HG22", "HG23"],
+            "link_labels": {"1": "N-term"}
+        },
+        "TPO_fl-ccd": {
+            "smiles": "[H]N([H])C([H])(C(=O)[O-])C([H])(OP(=O)([O-])[O-])C([H])([H])[H]",
+            "atom_name": ["H", "N", "H2", "CA", "HA", "C", "O", "OXT", "CB", "HB", "OG1", "P", "O1P", "O2P", "O3P", "CG2", "HG21", "HG22", "HG23"],
+            "link_labels": {}
+        },
+        "TPO_C-ccd": {
+            "smiles": "[H]NC([H])(C(=O)[O-])C([H])(OP(=O)([O-])[O-])C([H])([H])[H]",
+            "atom_name": ["H2", "N", "CA", "HA", "C", "O", "OXT", "CB", "HB", "OG1", "P", "O1P", "O2P", "O3P", "CG2", "HG21", "HG22", "HG23"],
+            "link_labels": {"1": "N-term"}
+        },
+        "Y1P": {
+            "smiles": "[H]NC([H])(C=O)C([H])([H])C1=C([H])C([H])=C(OP(=O)([O-])O[H])C([H])=C1[H]",
+            "atom_name": ["H", "N", "CA", "HA", "C", "O", "CB", "HB2", "HB3", "CG", "CD1", "HD1", "CE1", "HE1", "CZ", "OG", "P", "O2P", "O3P", "O1P", "H1P", "CE2", "HE2", "CD2", "HD2"],
+            "link_labels": {"1": "N-term", "4": "C-term"}
+        },
+        "Y1P_N": {
+            "smiles": "[H]OP(=O)([O-])OC1=C([H])C([H])=C(C([H])([H])C([H])(C=O)N([H])[H])C([H])=C1[H]",
+            "atom_name": ["H1P", "O1P", "P", "O2P", "O3P", "OG", "CZ", "CE1", "HE1", "CD1", "HD1", "CG", "CB", "HB2", "HB3", "CA", "HA", "C", "O", "N", "H_h", "H", "CD2", "HD2", "CE2", "HE2"],
+            "link_labels": {"17": "C-term"}
+        },
+        "Y1P_C": {
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+            "atom_name": ["HOP3", "OP3", "H_t"],
+            "link_labels": {}
+        },
+        "OHE_fl-ccd": {
+            "smiles": "[H]OC([H])([H])C([H])([H])[H]",
+            "atom_name": ["HO", "O", "C2", "H21", "H22", "C1", "H11", "H12", "H13"],
+            "link_labels": {}
+        },
+        "AMP_": {
+            "smiles": "[H]OC1([H])C([H])(N2C([H])=NC3=C(N([H])[H])N=C([H])N=C32)OC([H])(C([H])([H])OP(=O)([O-])O[H])C1([H])O[H]",
+            "atom_name": ["HO2'", "O2'", "C2'", "H2'", "C1'", "H1'", "N9", "C8", "H8", "N7", "C5", "C6", "N6", "H61", "H62", "N1", "C2", "H2", "N3", "C4", "O4'", "C4'", "H4'", "C5'", "H5'", "H5''", "O5'", "P", "OP1", "OP2", "OP3", "HP3", "C3'", "H3'", "O3'", "H_t"],
+            "link_labels": {}
+        },
+        "AMP_fl-ccd": {
+            "smiles": "[H]OC1([H])C([H])(N2C([H])=NC3=C2N=C([H])N=C3N([H])[H])OC([H])(C([H])([H])OP(=O)([O-])[O-])C1([H])O[H]",
+            "atom_name": ["HO2'", "O2'", "C2'", "H2'", "C1'", "H1'", "N9", "C8", "H8", "N7", "C5", "C4", "N3", "C2", "H2", "N1", "C6", "N6", "HN61", "HN62", "O4'", "C4'", "H4'", "C5'", "H5'1", "H5'2", "O5'", "P", "O1P", "O2P", "O3P", "C3'", "H3'", "O3'", "HO3'"],
+            "link_labels": {}
+        },
+        "AMP_-ccd": {
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+            "link_labels": {"27": "5-prime", "32": "3-prime"}
+        },
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+            "link_labels": {"27": "5-prime"}
+        },
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+            "atom_name": ["HO2'", "O2'", "C2'", "H2'", "C1'", "H1'", "N9", "C8", "H8", "N7", "C5", "C4", "N3", "C2", "H2", "N1", "C6", "N6", "HN61", "HN62", "O4'", "C4'", "H4'", "C5'", "H5'1", "H5'2", "O5'", "P", "O1P", "O2P", "O3P", "C3'", "H3'", "O3'"],
+            "link_labels": {"33": "3-prime"}
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+            "atom_name": ["H9", "O5'", "C5'", "H5'1", "H5'2", "C4'", "H4'", "O4'", "C1'", "H1'", "N9", "C8", "H8", "N7", "C5", "C4", "N3", "C2", "H2", "N1", "C6", "N6", "HN61", "HN62", "C2'", "H2'", "O2'", "HO2'", "C3'", "H3'", "O3'"],
+            "link_labels": {"30": "3-prime"}
+        },
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+            "atom_name": ["HO2'", "O2'", "C2'", "H2'", "C1'", "H1'", "N1", "C2", "O2", "N3", "C4", "N4", "H41", "H42", "C5", "H5", "C6", "H6", "O4'", "C4'", "H4'", "C5'", "H5'", "H5''", "O5'", "P", "OP1", "OP2", "OP3", "HP3", "C3'", "H3'", "O3'", "H_t"],
+            "link_labels": {}
+        },
+        "CMP_fl-ccd": {
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+            "atom_name": ["HO2'", "O2'", "C2'", "H2'", "C1'", "H1'", "N9", "C8", "H8", "N7", "C5", "C4", "N3", "C2", "H2", "N1", "C6", "N6", "HN61", "HN62", "O4'", "C4'", "H4'", "C5'", "H5'1", "H5'2", "O5'", "P", "O1P", "O2P", "O3'", "C3'", "H3'"],
+            "link_labels": {}
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+            "atom_name": ["HO2'", "O2'", "C2'", "H2'", "C1'", "H1'", "N9", "C8", "H8", "N7", "C5", "C4", "N3", "C2", "N2", "H21", "H22", "N1", "H1", "C6", "O6", "O4'", "C4'", "H4'", "C5'", "H5'", "H5''", "O5'", "P", "OP1", "OP2", "OP3", "HP3", "C3'", "H3'", "O3'", "H_t"],
+            "link_labels": {}
+        },
+        "GMP_fl-ccd": {
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+            "atom_name": ["HO5'", "O5'", "C5'", "H5'1", "H5'2", "C4'", "H4'", "O4'", "C1'", "H1'", "N9", "C8", "H8", "N7", "C5", "C4", "N3", "C2", "N2", "HN21", "HN22", "N1", "HN1", "C6", "O6", "C2'", "H2'", "O2'", "HO2'", "C3'", "H3'", "O3'", "HO3'"],
+            "link_labels": {}
+        },
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+            "atom_name": ["HO2'", "O2'", "C2'", "H2'", "C1'", "H1'", "N1", "C2", "O2", "N3", "H3", "C4", "O4", "C5", "H5", "C6", "H6", "O4'", "C4'", "H4'", "C5'", "H5'", "H5''", "O5'", "P", "OP1", "OP2", "OP3", "HP3", "C3'", "H3'", "O3'", "H_t"],
+            "link_labels": {}
+        },
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+            "atom_name": ["HO3'", "O3'", "C3'", "H3'", "C2'", "H2'", "H2''", "C1'", "H1'", "N1", "C2", "O2", "N3", "HN3", "C4", "O4", "C5", "H5", "C6", "H6", "O4'", "C4'", "H4'", "C5'", "H5'", "H5''", "O5'", "P", "OP1", "OP2", "OP3"],
+            "link_labels": {}
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+            "atom_name": ["H5", "C5", "C6", "H6", "N1", "C1'", "H1'", "O4'", "C4'", "H4'", "C5'", "H5'", "H5''", "O5'", "P", "OP1", "OP3", "C3'", "H3'", "O3'", "C2'", "H2'", "H2''", "C2", "O2", "N3", "HN3", "C4", "O4"],
+            "link_labels": {"14": "5-prime", "19": "3-prime"}
+        },
+        "UMP_3-ccd": {
+            "smiles": "[H]OC1([H])C([H])([H])C([H])(N2C(=O)N([H])C(=O)C([H])=C2[H])OC1([H])C([H])([H])OP(=O)[O-]",
+            "atom_name": ["HO3'", "O3'", "C3'", "H3'", "C2'", "H2'", "H2''", "C1'", "H1'", "N1", "C2", "O2", "N3", "HN3", "C4", "O4", "C5", "H5", "C6", "H6", "O4'", "C4'", "H4'", "C5'", "H5'", "H5''", "O5'", "P", "OP1", "OP3"],
+            "link_labels": {"27": "5-prime"}
+        },
+        "UMP_5p-ccd": {
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+            "atom_name": ["H5", "C5", "C6", "H6", "N1", "C1'", "H1'", "O4'", "C4'", "H4'", "C5'", "H5'", "H5''", "O5'", "P", "OP1", "OP2", "OP3", "C3'", "H3'", "O3'", "C2'", "H2'", "H2''", "C2", "O2", "N3", "HN3", "C4", "O4"],
+            "link_labels": {"20": "3-prime"}
+        },
+        "UMP_5-ccd": {
+            "smiles": "[H]OC([H])([H])C1([H])OC([H])(N2C(=O)N([H])C(=O)C([H])=C2[H])C([H])([H])C1([H])O",
+            "atom_name": ["H7", "O5'", "C5'", "H5'", "H5''", "C4'", "H4'", "O4'", "C1'", "H1'", "N1", "C2", "O2", "N3", "HN3", "C4", "O4", "C5", "H5", "C6", "H6", "C2'", "H2'", "H2''", "C3'", "H3'", "O3'"],
+            "link_labels": {"26": "3-prime"}
+        },
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+            "atom_name": ["HO5'", "O5'", "C5'", "H5'", "H5''", "C4'", "H4'", "O4'", "C1'", "H1'", "N9", "C8", "H8", "N7", "C5", "C4", "N3", "C2", "H2", "N1", "C6", "N6", "H61", "H62", "C2'", "H2'", "H2''", "C3'", "H3'", "O3'", "HO3'"],
+            "link_labels": {}
+        },
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+            "smiles": "[H]OC([H])([H])C([H])(O[H])C([H])(O[H])C1([H])OC(C(=O)[O-])=C([H])C([H])(O[H])C1([H])N([H])C(=O)C([H])([H])[H]",
+            "atom_name": ["HO9", "O9", "C9", "H91", "H92", "C8", "H8", "O8", "HO8", "C7", "H7", "O7", "HO7", "C6", "H6", "O6", "C2", "C1", "O1A", "O1B", "C3", "H3", "C4", "H4", "O4", "HO4", "C5", "H5", "N5", "HN5", "C10", "O10", "C11", "H111", "H112", "H113"],
+            "link_labels": {}
+        },
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+            "atom_name": ["HO5'", "O5'", "C5'", "H5'", "H5''", "C4'", "H4'", "O4'", "C1'", "H1'", "N1", "C2", "O2", "N3", "C4", "N4", "H41", "H42", "C5", "H5", "C6", "H6", "C2'", "H2'", "H2''", "C3'", "H3'", "O3'", "HO3'"],
+            "link_labels": {}
+        },
+        "DCN_fl-ccd": {
+            "smiles": "[H]OC1=C(OC2=C([H])C([H])=C(Cl)C([H])=C2[H])C([H])=C([H])C(Cl)=C1[H]",
+            "atom_name": ["H17", "O17", "C6", "C5", "O7", "C8", "C9", "H9", "C10", "H10", "C11", "CL15", "C12", "H12", "C13", "H13", "C4", "H4", "C3", "H3", "C2", "CL14", "C1", "H1"],
+            "link_labels": {}
+        },
+        "DGN_": {
+            "smiles": "[H]OC([H])([H])C1([H])OC([H])(N2C([H])=NC3=C2N=C(N([H])[H])N([H])C3=O)C([H])([H])C1([H])O[H]",
+            "atom_name": ["HO5'", "O5'", "C5'", "H5'", "H5''", "C4'", "H4'", "O4'", "C1'", "H1'", "N9", "C8", "H8", "N7", "C5", "C4", "N3", "C2", "N2", "H21", "H22", "N1", "H1", "C6", "O6", "C2'", "H2'", "H2''", "C3'", "H3'", "O3'", "HO3'"],
+            "link_labels": {}
+        },
+        "DGN_fl-ccd": {
+            "smiles": "[H]N([H])C(=O)C([H])([H])C([H])([H])C([H])(C(=O)[O-])N([H])[H]",
+            "atom_name": ["HE21", "NE2", "HE22", "CD", "OE1", "CG", "HG2", "HG3", "CB", "HB2", "HB3", "CA", "HA", "C", "O", "OXT", "N", "H", "H2"],
+            "link_labels": {}
+        },
+        "DGN-ccd": {
+            "smiles": "[H]NC([H])(C=O)C([H])([H])C([H])([H])C(=O)N([H])[H]",
+            "atom_name": ["H2", "N", "CA", "HA", "C", "O", "CB", "HB2", "HB3", "CG", "HG2", "HG3", "CD", "OE1", "NE2", "HE21", "HE22"],
+            "link_labels": {"1": "N-term", "4": "C-term"}
+        },
+        "DGN_N-ccd": {
+            "smiles": "[H]N([H])C(=O)C([H])([H])C([H])([H])C([H])(C=O)N([H])[H]",
+            "atom_name": ["HE21", "NE2", "HE22", "CD", "OE1", "CG", "HG2", "HG3", "CB", "HB2", "HB3", "CA", "HA", "C", "O", "N", "H", "H2"],
+            "link_labels": {"13": "C-term"}
+        },
+        "DGN_C-ccd": {
+            "smiles": "[H]NC([H])(C(=O)[O-])C([H])([H])C([H])([H])C(=O)N([H])[H]",
+            "atom_name": ["H2", "N", "CA", "HA", "C", "O", "OXT", "CB", "HB2", "HB3", "CG", "HG2", "HG3", "CD", "OE1", "NE2", "HE21", "HE22"],
+            "link_labels": {"1": "N-term"}
+        },
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+            "smiles": "[H]OC([H])([H])C1([H])OC([H])(N2C(=O)N([H])C(=O)C(C([H])([H])[H])=C2[H])C([H])([H])C1([H])O[H]",
+            "atom_name": ["HO5'", "O5'", "C5'", "H5'", "H5''", "C4'", "H4'", "O4'", "C1'", "H1'", "N1", "C2", "O2", "N3", "H3", "C4", "O4", "C5", "C7", "H71", "H72", "H73", "C6", "H6", "C2'", "H2'", "H2''", "C3'", "H3'", "O3'", "HO3'"],
+            "link_labels": {}
+        },
+        "DTN_fl-ccd": {
+            "smiles": "O=S([O-])S(=O)[O-]",
+            "atom_name": ["O1", "S1", "O2", "S2", "O3", "O4"],
+            "link_labels": {}
+        },
+        "13P_": {
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+            "atom_name": ["HO'2", "O2'", "C2'", "H2'", "C1'", "H1'", "C5", "C6", "H6", "N1", "C10", "H20", "H21", "H22", "C2", "O2", "N3", "C11", "H23", "H24", "C12", "H25", "H26", "C13", "H27", "H28", "C14", "H29", "C15", "O30", "O31", "N40", "H30", "H31", "C4", "O4", "O4'", "C4'", "H4'", "C5'", "H5'1", "H5'2", "O5'", "P", "O1P", "O2P", "C3'", "H3'", "O3'"],
+            "link_labels": {"43": "5-prime", "48": "3-prime"}
+        },
+        "13P_3": {
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+            "atom_name": ["HO'2", "O2'", "C2'", "H2'", "C1'", "H1'", "C5", "C6", "H6", "N1", "C10", "H20", "H21", "H22", "C2", "O2", "N3", "C11", "H23", "H24", "C12", "H25", "H26", "C13", "H27", "H28", "C14", "H29", "C15", "O30", "O31", "N40", "H30", "H31", "C4", "O4", "O4'", "C4'", "H4'", "C5'", "H5'1", "H5'2", "O5'", "P", "O1P", "O2P", "C3'", "H3'", "O3'", "H_t"],
+            "link_labels": {"43": "5-prime"}
+        },
+        "13P_5p": {
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+            "atom_name": ["HO'2", "O2'", "C2'", "H2'", "C1'", "H1'", "C5", "C6", "H6", "N1", "C10", "H20", "H21", "H22", "C2", "O2", "N3", "C11", "H23", "H24", "C12", "H25", "H26", "C13", "H27", "H28", "C14", "H29", "C15", "O30", "O31", "N40", "H30", "H31", "C4", "O4", "O4'", "C4'", "H4'", "C5'", "H5'1", "H5'2", "O5'", "P", "H_h", "O1P", "O2P", "C3'", "H3'", "O3'"],
+            "link_labels": {"49": "3-prime"}
+        },
+        "13P_5": {
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+            "atom_name": ["H32", "O5'", "C5'", "H5'1", "H5'2", "C4'", "H4'", "O4'", "C1'", "H1'", "C5", "C6", "H6", "N1", "C10", "H20", "H21", "H22", "C2", "O2", "N3", "C11", "H23", "H24", "C12", "H25", "H26", "C13", "H27", "H28", "C14", "H29", "C15", "O30", "O31", "N40", "H30", "H31", "C4", "O4", "C2'", "H2'", "O2'", "HO'2", "C3'", "H3'", "O3'"],
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+            "link_labels": {"33": "5-prime"}
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+            "link_labels": {"24": "3-prime"}
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+            "link_labels": {"32": "3-prime"}
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+            "link_labels": {"27": "5-prime"}
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+            "link_labels": {"33": "3-prime"}
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+            "link_labels": {"30": "3-prime"}
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+            "link_labels": {"32": "5-prime", "37": "3-prime"}
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+            "link_labels": {"32": "5-prime"}
+        },
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+            "link_labels": {"38": "3-prime"}
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+            "link_labels": {"35": "3-prime"}
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+            "link_labels": {}
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+            "link_labels": {"33": "5-prime", "38": "3-prime"}
+        },
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+            "link_labels": {"33": "5-prime"}
+        },
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+            "link_labels": {"39": "3-prime"}
+        },
+        "7MG_5-ccd": {
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+            "atom_name": ["H83", "O5'", "C5'", "H5'", "H5''", "C4'", "H4'", "O4'", "C1'", "H1'", "N9", "C4", "C5", "C6", "O6", "N1", "HN1", "C2", "N2", "HN21", "HN22", "N3", "N7", "CM7", "HM71", "HM72", "HM73", "C8", "H81", "H82", "C2'", "H2'", "O2'", "HO2'", "C3'", "H3'", "O3'"],
+            "link_labels": {"36": "3-prime"}
+        },
+        "BCU_": {
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+            "atom_name": ["HO'2", "O2'", "C2'", "H2'", "C1'", "H1'", "N1", "C2", "O2", "N3", "H3", "C4", "O4", "C5", "C10", "H20", "H21", "C11", "O30", "N40", "H22", "H23", "C6", "H6", "O4'", "C4'", "H4'", "C5'", "H5'1", "H5'2", "O5'", "P", "O1P", "O2P", "C3'", "H3'", "O3'"],
+            "link_labels": {"31": "5-prime", "36": "3-prime"}
+        },
+        "BCU_3": {
+            "smiles": "[H]OC1([H])C([H])(N2C(=O)N([H])C(=O)C(C([H])([H])C(=O)N([H])[H])=C2[H])OC([H])(C([H])([H])OP(=O)[O-])C1([H])O[H]",
+            "atom_name": ["HO'2", "O2'", "C2'", "H2'", "C1'", "H1'", "N1", "C2", "O2", "N3", "H3", "C4", "O4", "C5", "C10", "H20", "H21", "C11", "O30", "N40", "H22", "H23", "C6", "H6", "O4'", "C4'", "H4'", "C5'", "H5'1", "H5'2", "O5'", "P", "O1P", "O2P", "C3'", "H3'", "O3'", "H_t"],
+            "link_labels": {"31": "5-prime"}
+        },
+        "BCU_5p": {
+            "smiles": "[H]OC1([H])C([H])(N2C(=O)N([H])C(=O)C(C([H])([H])C(=O)N([H])[H])=C2[H])OC([H])(C([H])([H])OP([H])(=O)[O-])C1([H])O",
+            "atom_name": ["HO'2", "O2'", "C2'", "H2'", "C1'", "H1'", "N1", "C2", "O2", "N3", "H3", "C4", "O4", "C5", "C10", "H20", "H21", "C11", "O30", "N40", "H22", "H23", "C6", "H6", "O4'", "C4'", "H4'", "C5'", "H5'1", "H5'2", "O5'", "P", "H_h", "O1P", "O2P", "C3'", "H3'", "O3'"],
+            "link_labels": {"37": "3-prime"}
+        },
+        "BCU_5": {
+            "smiles": "[H]OC([H])([H])C1([H])OC([H])(N2C(=O)N([H])C(=O)C(C([H])([H])C(=O)N([H])[H])=C2[H])C([H])(O[H])C1([H])O",
+            "atom_name": ["H24", "O5'", "C5'", "H5'1", "H5'2", "C4'", "H4'", "O4'", "C1'", "H1'", "N1", "C2", "O2", "N3", "H3", "C4", "O4", "C5", "C10", "H20", "H21", "C11", "O30", "N40", "H22", "H23", "C6", "H6", "C2'", "H2'", "O2'", "HO'2", "C3'", "H3'", "O3'"],
+            "link_labels": {"34": "3-prime"}
+        },
+        "BCU_fl-ccd": {
+            "smiles": "[H]OC([H])([H])C1([H])C([H])([H])OC2=C(C([H])=C([H])C([H])=C2[H])C1([H])[H]",
+            "atom_name": ["H1", "O12", "C11", "H2", "H3", "C2", "H4", "C3", "H5", "H6", "O4", "C5", "C6", "C7", "H10", "C8", "H9", "C9", "H8", "C10", "H7", "C1", "H11", "H12"],
+            "link_labels": {}
+        },
+        "BUG_": {
+            "smiles": "[H]OC([H])(C([H])([H])C1=C(C([H])([H])[H])N=C2N1C(=O)C1=C(N2C([H])([H])[H])N(C2([H])OC([H])(C([H])([H])OP(=O)[O-])C([H])(O)C2([H])O[H])C([H])=N1)C([H])(C(=O)[O-])N([H])[H]",
+            "atom_name": ["H31", "O32", "C15", "H28", "C14", "H26", "H27", "C13", "C12", "C11", "H23", "H24", "H25", "N2", "C2", "N1", "C6", "O6", "C5", "C4", "N3", "C10", "H20", "H21", "H22", "N9", "C1'", "H1'", "O4'", "C4'", "H4'", "C5'", "H5'1", "H5'2", "O5'", "P", "O1P", "O2P", "C3'", "H3'", "O3'", "C2'", "H2'", "O2'", "HO'2", "C8", "H8", "N7", "C16", "H29", "C17", "O30", "O31", "N40", "H30", "H32"],
+            "link_labels": {"35": "5-prime", "40": "3-prime"}
+        },
+        "BUG_3": {
+            "smiles": "[H]OC([H])(C([H])([H])C1=C(C([H])([H])[H])N=C2N1C(=O)C1=C(N2C([H])([H])[H])N(C2([H])OC([H])(C([H])([H])OP(=O)[O-])C([H])(O[H])C2([H])O[H])C([H])=N1)C([H])(C(=O)[O-])N([H])[H]",
+            "atom_name": ["H31", "O32", "C15", "H28", "C14", "H26", "H27", "C13", "C12", "C11", "H23", "H24", "H25", "N2", "C2", "N1", "C6", "O6", "C5", "C4", "N3", "C10", "H20", "H21", "H22", "N9", "C1'", "H1'", "O4'", "C4'", "H4'", "C5'", "H5'1", "H5'2", "O5'", "P", "O1P", "O2P", "C3'", "H3'", "O3'", "H_t", "C2'", "H2'", "O2'", "HO'2", "C8", "H8", "N7", "C16", "H29", "C17", "O30", "O31", "N40", "H30", "H32"],
+            "link_labels": {"35": "5-prime"}
+        },
+        "BUG_5p": {
+            "smiles": "[H]OC([H])(C([H])([H])C1=C(C([H])([H])[H])N=C2N1C(=O)C1=C(N2C([H])([H])[H])N(C2([H])OC([H])(C([H])([H])OP([H])(=O)[O-])C([H])(O)C2([H])O[H])C([H])=N1)C([H])(C(=O)[O-])N([H])[H]",
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+            "link_labels": {"41": "3-prime"}
+        },
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+            "link_labels": {"53": "3-prime"}
+        },
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+            "link_labels": {}
+        },
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+            "atom_name": ["H2", "N", "CA", "HA1", "C", "O", "CB", "CG1", "HG11", "HG12", "HG13", "CG2", "HG21", "HG22", "HG23", "CG3", "HG31", "HG32", "HG33"],
+            "link_labels": {"1": "N-term", "4": "C-term"}
+        },
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+            "link_labels": {"5": "C-term"}
+        },
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+            "atom_name": ["H2", "N", "CA", "HA1", "C", "O", "OXT", "CB", "CG1", "HG11", "HG12", "HG13", "CG2", "HG21", "HG22", "HG23", "CG3", "HG31", "HG32", "HG33"],
+            "link_labels": {"1": "N-term"}
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+            "link_labels": {"24": "5-prime", "29": "3-prime"}
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+            "link_labels": {"24": "5-prime"}
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+            "link_labels": {"30": "3-prime"}
+        },
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+            "atom_name": ["H21", "O31", "C10", "H20", "C11", "O30", "O32", "C12", "H22", "H23", "H24", "C5", "C6", "H6", "N1", "C1'", "H1'", "O4'", "C4'", "H4'", "C5'", "H5'1", "H5'2", "O5'", "H25", "C3'", "H3'", "O3'", "C2'", "H2'", "O2'", "HO'2", "C2", "O2", "N3", "H3", "C4", "O4"],
+            "link_labels": {"27": "3-prime"}
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+            "link_labels": {}
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+            "link_labels": {"34": "5-prime", "39": "3-prime"}
+        },
+        "DAG_3": {
+            "smiles": "[H]OC1([H])C([H])(N2C([H])=C(C([H])([H])N([H])[H])C3=C2N=C(N([H])[H])N([H])C3=O)OC([H])(C([H])([H])OP(=O)[O-])C1([H])O[H]",
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+            "link_labels": {"34": "5-prime"}
+        },
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+            "link_labels": {"40": "3-prime"}
+        },
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+            "link_labels": {"37": "3-prime"}
+        },
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+            "smiles": "[H]OC1([H])OC([H])(C([H])([H])[H])C([H])(N([H])[H])C([H])(O[H])C1([H])O[H]",
+            "atom_name": ["HO1", "O1", "C1", "H1", "O5", "C5", "H5", "C6", "H61", "H62", "H63", "C4", "H4", "N4", "HN41", "HN42", "C3", "H3", "O3", "HO3", "C2", "H2", "O2", "HO2"],
+            "link_labels": {}
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+            "link_labels": {"26": "5-prime", "31": "3-prime"}
+        },
+        "DHU_3": {
+            "smiles": "[H]OC1([H])C([H])(N2C(=O)N([H])C(=O)C([H])([H])C2([H])[H])OC([H])(C([H])([H])OP(=O)[O-])C1([H])O[H]",
+            "atom_name": ["HO'2", "O2'", "C2'", "H2'", "C1'", "H1'", "N1", "C2", "O2", "N3", "H3", "C4", "O4", "C5", "H5", "H20", "C6", "H6", "H21", "O4'", "C4'", "H4'", "C5'", "H5'1", "H5'2", "O5'", "P", "O1P", "O2P", "C3'", "H3'", "O3'", "H_t"],
+            "link_labels": {"26": "5-prime"}
+        },
+        "DHU_5p": {
+            "smiles": "[H]OC1([H])C([H])(N2C(=O)N([H])C(=O)C([H])([H])C2([H])[H])OC([H])(C([H])([H])OP([H])(=O)[O-])C1([H])O",
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+            "link_labels": {"32": "3-prime"}
+        },
+        "DHU_5": {
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+            "link_labels": {"29": "3-prime"}
+        },
+        "DHU_fl-ccd": {
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+            "atom_name": ["HO2'", "O2'", "C2'", "H2'", "C1'", "H1'", "N1", "C2", "O2", "N3", "HN3", "C4", "O4", "C5", "H51", "H52", "C6", "H61", "H62", "O4'", "C4'", "H4'", "C5'", "H5'", "H5''", "O5'", "P", "OP1", "OP2", "OP3", "C3'", "H3'", "O3'", "HO3'"],
+            "link_labels": {}
+        },
+        "DHU_5p-ccd": {
+            "smiles": "[H]OC1([H])C([H])(N2C(=O)N([H])C(=O)C([H])([H])C2([H])[H])OC([H])(C([H])([H])OP(=O)([O-])[O-])C1([H])O",
+            "atom_name": ["HO2'", "O2'", "C2'", "H2'", "C1'", "H1'", "N1", "C2", "O2", "N3", "HN3", "C4", "O4", "C5", "H51", "H52", "C6", "H61", "H62", "O4'", "C4'", "H4'", "C5'", "H5'", "H5''", "O5'", "P", "OP1", "OP2", "OP3", "C3'", "H3'", "O3'"],
+            "link_labels": {"32": "3-prime"}
+        },
+        "DMA_": {
+            "smiles": "[H]OC1([H])C([H])(N2C([H])=NC3=C(N(C([H])([H])[H])C([H])([H])[H])N=C([H])N=C32)OC([H])(C([H])([H])OP(=O)[O-])C1([H])O",
+            "atom_name": ["HO'2", "O2'", "C2'", "H2'", "C1'", "H1'", "N9", "C8", "H8", "N7", "C5", "C6", "N6", "C10", "H20", "H21", "H22", "C11", "H23", "H24", "H25", "N1", "C2", "H2", "N3", "C4", "O4'", "C4'", "H4'", "C5'", "H5'1", "H5'2", "O5'", "P", "O1P", "O2P", "C3'", "H3'", "O3'"],
+            "link_labels": {"33": "5-prime", "38": "3-prime"}
+        },
+        "DMA_3": {
+            "smiles": "[H]OC1([H])C([H])(N2C([H])=NC3=C(N(C([H])([H])[H])C([H])([H])[H])N=C([H])N=C32)OC([H])(C([H])([H])OP(=O)[O-])C1([H])O[H]",
+            "atom_name": ["HO'2", "O2'", "C2'", "H2'", "C1'", "H1'", "N9", "C8", "H8", "N7", "C5", "C6", "N6", "C10", "H20", "H21", "H22", "C11", "H23", "H24", "H25", "N1", "C2", "H2", "N3", "C4", "O4'", "C4'", "H4'", "C5'", "H5'1", "H5'2", "O5'", "P", "O1P", "O2P", "C3'", "H3'", "O3'", "H_t"],
+            "link_labels": {"33": "5-prime"}
+        },
+        "DMA_5p": {
+            "smiles": "[H]OC1([H])C([H])(N2C([H])=NC3=C(N(C([H])([H])[H])C([H])([H])[H])N=C([H])N=C32)OC([H])(C([H])([H])OP([H])(=O)[O-])C1([H])O",
+            "atom_name": ["HO'2", "O2'", "C2'", "H2'", "C1'", "H1'", "N9", "C8", "H8", "N7", "C5", "C6", "N6", "C10", "H20", "H21", "H22", "C11", "H23", "H24", "H25", "N1", "C2", "H2", "N3", "C4", "O4'", "C4'", "H4'", "C5'", "H5'1", "H5'2", "O5'", "P", "H_h", "O1P", "O2P", "C3'", "H3'", "O3'"],
+            "link_labels": {"39": "3-prime"}
+        },
+        "DMA_5": {
+            "smiles": "[H]OC([H])([H])C1([H])OC([H])(N2C([H])=NC3=C(N(C([H])([H])[H])C([H])([H])[H])N=C([H])N=C32)C([H])(O[H])C1([H])O",
+            "atom_name": ["H26", "O5'", "C5'", "H5'1", "H5'2", "C4'", "H4'", "O4'", "C1'", "H1'", "N9", "C8", "H8", "N7", "C5", "C6", "N6", "C10", "H20", "H21", "H22", "C11", "H23", "H24", "H25", "N1", "C2", "H2", "N3", "C4", "C2'", "H2'", "O2'", "HO'2", "C3'", "H3'", "O3'"],
+            "link_labels": {"36": "3-prime"}
+        },
+        "DMA_fl-ccd": {
+            "smiles": "[H]C(=C(C([H])([H])[H])C([H])([H])[H])C([H])([H])OP(=O)([O-])OP(=O)([O-])[O-]",
+            "atom_name": ["H2", "C2", "C3", "C4", "H41", "H42", "H43", "C5", "H51", "H52", "H53", "C1", "H11", "H12", "O1", "PA", "O1A", "O2A", "O3A", "PB", "O1B", "O2B", "O3B"],
+            "link_labels": {}
+        },
+        "DMG_": {
+            "smiles": "[H]OC1([H])C([H])(N2C([H])=NC3=C2N=C(N(C([H])([H])[H])C([H])([H])[H])N([H])C3=O)OC([H])(C([H])([H])OP(=O)[O-])C1([H])O",
+            "atom_name": ["HO'2", "O2'", "C2'", "H2'", "C1'", "H1'", "N9", "C8", "H8", "N7", "C5", "C4", "N3", "C2", "N2", "C10", "H20", "H21", "H22", "C11", "H23", "H24", "H25", "N1", "H1", "C6", "O6", "O4'", "C4'", "H4'", "C5'", "H5'1", "H5'2", "O5'", "P", "O1P", "O2P", "C3'", "H3'", "O3'"],
+            "link_labels": {"34": "5-prime", "39": "3-prime"}
+        },
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+            "link_labels": {"24": "3-prime"}
+        },
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+            "link_labels": {"21": "3-prime"}
+        },
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+            "link_labels": {}
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+            "link_labels": {"35": "5-prime", "40": "3-prime"}
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+            "link_labels": {"35": "5-prime"}
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+            "link_labels": {"41": "3-prime"}
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+            "link_labels": {"49": "3-prime"}
+        },
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+            "link_labels": {}
+        },
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+            "link_labels": {"35": "5-prime", "40": "3-prime"}
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+            "link_labels": {"35": "5-prime"}
+        },
+        "HWG_5p": {
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+            "link_labels": {"41": "3-prime"}
+        },
+        "HWG_5": {
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+            "link_labels": {"63": "3-prime"}
+        },
+        "HWG_fl-ccd": {
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+            "link_labels": {}
+        },
+        "INO_": {
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+            "link_labels": {"26": "5-prime", "31": "3-prime"}
+        },
+        "INO_3": {
+            "smiles": "[H]OC1([H])C([H])(N2C([H])=NC3=C2N=C([H])N([H])C3=O)OC([H])(C([H])([H])OP(=O)[O-])C1([H])O[H]",
+            "atom_name": ["HO'2", "O2'", "C2'", "H2'", "C1'", "H1'", "N9", "C8", "H8", "N7", "C5", "C4", "N3", "C2", "H2", "N1", "H1", "C6", "O6", "O4'", "C4'", "H4'", "C5'", "H5'1", "H5'2", "O5'", "P", "O1P", "O2P", "C3'", "H3'", "O3'", "H_t"],
+            "link_labels": {"26": "5-prime"}
+        },
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+            "atom_name": ["H44", "O8", "C8", "C7", "O7", "C7M", "H8", "H9", "H10", "C6", "H7", "C5", "O5", "C5M", "H4", "H5", "H6", "C4A", "C8A", "O1", "C2", "C9", "H11", "H12", "C10", "H13", "H14", "C11", "H15", "C22", "H29", "H30", "H31", "C12", "H16", "O12", "C23", "H32", "H33", "H34", "C13", "H17", "C24", "H35", "H36", "H37", "C14", "H18", "O14", "C25", "H38", "H39", "H40", "C15", "H19", "C16", "H21", "C17", "H22", "C18", "H23", "C19", "C20", "H25", "C21", "H26", "H27", "H28", "C26", "H41", "H42", "H43", "C3", "C3M", "H1", "H2", "H3", "C4", "O4"],
+            "link_labels": {}
+        },
+        "SPA_": {
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+            "link_labels": {"44": "5-prime", "49": "3-prime"}
+        },
+        "SPA_3": {
+            "smiles": "[H]OC1([H])C([H])(N2C([H])=NC3=C2N=C(SC([H])([H])[H])N=C3N([H])C([H])([H])C([H])=C(C([H])([H])[H])C([H])([H])[H])OC([H])(C([H])([H])OP(=O)[O-])C1([H])O[H]",
+            "atom_name": ["HO'2", "O2'", "C2'", "H2'", "C1'", "H1'", "N9", "C8", "H8", "N7", "C5", "C4", "N3", "C2", "SS", "C10", "H20", "H21", "H22", "N1", "C6", "N6", "1H6", "C11", "H23", "H24", "C12", "H25", "C13", "C14", "H26", "H27", "H28", "C15", "H29", "H30", "H31", "O4'", "C4'", "H4'", "C5'", "H5'1", "H5'2", "O5'", "P", "O1P", "O2P", "C3'", "H3'", "O3'", "H_t"],
+            "link_labels": {"44": "5-prime"}
+        },
+        "SPA_5p": {
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+            "link_labels": {"50": "3-prime"}
+        },
+        "SPA_5": {
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+            "atom_name": ["H32", "O5'", "C5'", "H5'1", "H5'2", "C4'", "H4'", "O4'", "C1'", "H1'", "N9", "C8", "H8", "N7", "C5", "C4", "N3", "C2", "SS", "C10", "H20", "H21", "H22", "N1", "C6", "N6", "1H6", "C11", "H23", "H24", "C12", "H25", "C13", "C14", "H26", "H27", "H28", "C15", "H29", "H30", "H31", "C2'", "H2'", "O2'", "HO'2", "C3'", "H3'", "O3'"],
+            "link_labels": {"47": "3-prime"}
+        },
+        "SPA_fl-ccd": {
+            "smiles": "[H]C1=C([H])C([H])=C(C([H])([H])C(=O)[O-])S1",
+            "atom_name": ["H5", "C5", "C4", "H4", "C3", "H3", "C2", "C6", "H61", "H62", "C7", "O1", "O2", "S1"],
+            "link_labels": {}
+        },
+        "STA_": {
+            "smiles": "[H]OC(=O)C([H])(N([H])C(=O)N([H])C1=C2N=C([H])N(C3([H])OC([H])(C([H])([H])OP(=O)[O-])C([H])(O)C3([H])O[H])C2=NC(SC([H])([H])[H])=N1)C([H])(O[H])C([H])([H])[H]",
+            "atom_name": ["H30", "O31", "C13", "O32", "C12", "H25", "N40", "H26", "C11", "O30", "N6", "1H6", "C6", "C5", "N7", "C8", "H8", "N9", "C1'", "H1'", "O4'", "C4'", "H4'", "C5'", "H5'1", "H5'2", "O5'", "P", "O1P", "O2P", "C3'", "H3'", "O3'", "C2'", "H2'", "O2'", "HO'2", "C4", "N3", "C2", "SS", "C10", "H27", "H28", "H29", "N1", "C14", "H20", "O33", "H24", "C15", "H21", "H22", "H23"],
+            "link_labels": {"27": "5-prime", "32": "3-prime"}
+        },
+        "STA_3": {
+            "smiles": "[H]OC(=O)C([H])(N([H])C(=O)N([H])C1=C2N=C([H])N(C3([H])OC([H])(C([H])([H])OP(=O)[O-])C([H])(O[H])C3([H])O[H])C2=NC(SC([H])([H])[H])=N1)C([H])(O[H])C([H])([H])[H]",
+            "atom_name": ["H30", "O31", "C13", "O32", "C12", "H25", "N40", "H26", "C11", "O30", "N6", "1H6", "C6", "C5", "N7", "C8", "H8", "N9", "C1'", "H1'", "O4'", "C4'", "H4'", "C5'", "H5'1", "H5'2", "O5'", "P", "O1P", "O2P", "C3'", "H3'", "O3'", "H_t", "C2'", "H2'", "O2'", "HO'2", "C4", "N3", "C2", "SS", "C10", "H27", "H28", "H29", "N1", "C14", "H20", "O33", "H24", "C15", "H21", "H22", "H23"],
+            "link_labels": {"27": "5-prime"}
+        },
+        "STA_5p": {
+            "smiles": "[H]OC(=O)C([H])(N([H])C(=O)N([H])C1=C2N=C([H])N(C3([H])OC([H])(C([H])([H])OP([H])(=O)[O-])C([H])(O)C3([H])O[H])C2=NC(SC([H])([H])[H])=N1)C([H])(O[H])C([H])([H])[H]",
+            "atom_name": ["H30", "O31", "C13", "O32", "C12", "H25", "N40", "H26", "C11", "O30", "N6", "1H6", "C6", "C5", "N7", "C8", "H8", "N9", "C1'", "H1'", "O4'", "C4'", "H4'", "C5'", "H5'1", "H5'2", "O5'", "P", "H_h", "O1P", "O2P", "C3'", "H3'", "O3'", "C2'", "H2'", "O2'", "HO'2", "C4", "N3", "C2", "SS", "C10", "H27", "H28", "H29", "N1", "C14", "H20", "O33", "H24", "C15", "H21", "H22", "H23"],
+            "link_labels": {"33": "3-prime"}
+        },
+        "STA_5": {
+            "smiles": "[H]OC(=O)C([H])(N([H])C(=O)N([H])C1=C2N=C([H])N(C3([H])OC([H])(C([H])([H])O[H])C([H])(O)C3([H])O[H])C2=NC(SC([H])([H])[H])=N1)C([H])(O[H])C([H])([H])[H]",
+            "atom_name": ["H30", "O31", "C13", "O32", "C12", "H25", "N40", "H26", "C11", "O30", "N6", "1H6", "C6", "C5", "N7", "C8", "H8", "N9", "C1'", "H1'", "O4'", "C4'", "H4'", "C5'", "H5'1", "H5'2", "O5'", "H31", "C3'", "H3'", "O3'", "C2'", "H2'", "O2'", "HO'2", "C4", "N3", "C2", "SS", "C10", "H27", "H28", "H29", "N1", "C14", "H20", "O33", "H24", "C15", "H21", "H22", "H23"],
+            "link_labels": {"30": "3-prime"}
+        },
+        "STA_fl-ccd": {
+            "smiles": "[H]OC([H])(C([H])([H])C(=O)[O-])C([H])(N([H])[H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H]",
+            "atom_name": ["HH", "OH", "CH", "HC", "CM", "HM1", "HM2", "C", "O", "OXT", "CA", "HA", "N", "H", "H2", "CB", "HB1", "HB2", "CG", "HG", "CD1", "HD11", "HD12", "HD13", "CD2", "HD21", "HD22", "HD23"],
+            "link_labels": {}
+        },
+        "WBG_": {
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+            "atom_name": ["HO'2", "O2'", "C2'", "H2'", "C1'", "H1'", "N9", "C8", "H8", "N7", "C5", "C4", "N3", "C10", "H20", "H21", "H22", "C2", "N2", "C12", "C11", "H23", "H24", "H25", "C13", "C14", "H26", "H27", "C15", "H28", "H29", "C16", "H30", "C17", "O30", "O31", "C18", "H31", "H32", "H33", "N40", "H34", "C19", "O32", "O33", "C20", "H35", "H36", "H37", "N1", "C6", "O6", "O4'", "C4'", "H4'", "C5'", "H5'1", "H5'2", "O5'", "P", "O1P", "O2P", "C3'", "H3'", "O3'"],
+            "link_labels": {"59": "5-prime", "64": "3-prime"}
+        },
+        "WBG_3": {
+            "smiles": "[H]OC1([H])C([H])(N2C([H])=NC3=C2N(C([H])([H])[H])C2=NC(C([H])([H])[H])=C(C([H])([H])C([H])([H])C([H])(C(=O)OC([H])([H])[H])N([H])C(=O)OC([H])([H])[H])N2C3=O)OC([H])(C([H])([H])OP(=O)[O-])C1([H])O[H]",
+            "atom_name": ["HO'2", "O2'", "C2'", "H2'", "C1'", "H1'", "N9", "C8", "H8", "N7", "C5", "C4", "N3", "C10", "H20", "H21", "H22", "C2", "N2", "C12", "C11", "H23", "H24", "H25", "C13", "C14", "H26", "H27", "C15", "H28", "H29", "C16", "H30", "C17", "O30", "O31", "C18", "H31", "H32", "H33", "N40", "H34", "C19", "O32", "O33", "C20", "H35", "H36", "H37", "N1", "C6", "O6", "O4'", "C4'", "H4'", "C5'", "H5'1", "H5'2", "O5'", "P", "O1P", "O2P", "C3'", "H3'", "O3'", "H_t"],
+            "link_labels": {"59": "5-prime"}
+        },
+        "WBG_5p": {
+            "smiles": "[H]OC1([H])C([H])(N2C([H])=NC3=C2N(C([H])([H])[H])C2=NC(C([H])([H])[H])=C(C([H])([H])C([H])([H])C([H])(C(=O)OC([H])([H])[H])N([H])C(=O)OC([H])([H])[H])N2C3=O)OC([H])(C([H])([H])OP([H])(=O)[O-])C1([H])O",
+            "atom_name": ["HO'2", "O2'", "C2'", "H2'", "C1'", "H1'", "N9", "C8", "H8", "N7", "C5", "C4", "N3", "C10", "H20", "H21", "H22", "C2", "N2", "C12", "C11", "H23", "H24", "H25", "C13", "C14", "H26", "H27", "C15", "H28", "H29", "C16", "H30", "C17", "O30", "O31", "C18", "H31", "H32", "H33", "N40", "H34", "C19", "O32", "O33", "C20", "H35", "H36", "H37", "N1", "C6", "O6", "O4'", "C4'", "H4'", "C5'", "H5'1", "H5'2", "O5'", "P", "H_h", "O1P", "O2P", "C3'", "H3'", "O3'"],
+            "link_labels": {"65": "3-prime"}
+        },
+        "WBG_5": {
+            "smiles": "[H]OC([H])([H])C1([H])OC([H])(N2C([H])=NC3=C2N(C([H])([H])[H])C2=NC(C([H])([H])[H])=C(C([H])([H])C([H])([H])C([H])(C(=O)OC([H])([H])[H])N([H])C(=O)OC([H])([H])[H])N2C3=O)C([H])(O[H])C1([H])O",
+            "atom_name": ["H38", "O5'", "C5'", "H5'1", "H5'2", "C4'", "H4'", "O4'", "C1'", "H1'", "N9", "C8", "H8", "N7", "C5", "C4", "N3", "C10", "H20", "H21", "H22", "C2", "N2", "C12", "C11", "H23", "H24", "H25", "C13", "C14", "H26", "H27", "C15", "H28", "H29", "C16", "H30", "C17", "O30", "O31", "C18", "H31", "H32", "H33", "N40", "H34", "C19", "O32", "O33", "C20", "H35", "H36", "H37", "N1", "C6", "O6", "C2'", "H2'", "O2'", "HO'2", "C3'", "H3'", "O3'"],
+            "link_labels": {"62": "3-prime"}
+        },
+        "WBG_fl-ccd": {
+            "smiles": "[H]C1=C([H])C([H])=C([H])C(N([H])C2=C(C3=C([H])C([H])=C(OC([H])([H])[H])C([H])=C3[H])C(=O)N3N=C(C4=C([H])C([H])=C([H])C([H])=C4[H])C(C4=C([H])C([H])([H])C([H])([H])C([H])([H])C4([H])[H])=C3N2[H])=N1",
+            "atom_name": ["H161", "C16", "C17", "H171", "C18", "H181", "C19", "H191", "C14", "N13", "H131", "C12", "C03", "C04", "C09", "H091", "C08", "H081", "C07", "O10", "C11", "H112", "H113", "H111", "C06", "H061", "C05", "H051", "C02", "O01", "N37", "N36", "C29", "C30", "C35", "H351", "C34", "H341", "C33", "H331", "C32", "H321", "C31", "H311", "C22", "C23", "C24", "H241", "C25", "H251", "H252", "C26", "H262", "H261", "C27", "H271", "H272", "C28", "H282", "H281", "C21", "N20", "H201", "N15"],
+            "link_labels": {}
+        },
+        "WMG_": {
+            "smiles": "[H]OC1([H])C([H])(N2C([H])=NC3=C2N(C([H])([H])[H])C2=NC(C([H])([H])[H])=C(C([H])([H])[H])N2C3=O)OC([H])(C([H])([H])OP(=O)[O-])C1([H])O",
+            "atom_name": ["HO'2", "O2'", "C2'", "H2'", "C1'", "H1'", "N9", "C8", "H8", "N7", "C5", "C4", "N3", "C14", "H26", "H27", "H28", "C2", "N2", "C11", "C10", "H20", "H21", "H22", "C12", "C13", "H23", "H24", "H25", "N1", "C6", "O6", "O4'", "C4'", "H4'", "C5'", "H5'1", "H5'2", "O5'", "P", "O1P", "O2P", "C3'", "H3'", "O3'"],
+            "link_labels": {"39": "5-prime", "44": "3-prime"}
+        },
+        "WMG_3": {
+            "smiles": "[H]OC1([H])C([H])(N2C([H])=NC3=C2N(C([H])([H])[H])C2=NC(C([H])([H])[H])=C(C([H])([H])[H])N2C3=O)OC([H])(C([H])([H])OP(=O)[O-])C1([H])O[H]",
+            "atom_name": ["HO'2", "O2'", "C2'", "H2'", "C1'", "H1'", "N9", "C8", "H8", "N7", "C5", "C4", "N3", "C14", "H26", "H27", "H28", "C2", "N2", "C11", "C10", "H20", "H21", "H22", "C12", "C13", "H23", "H24", "H25", "N1", "C6", "O6", "O4'", "C4'", "H4'", "C5'", "H5'1", "H5'2", "O5'", "P", "O1P", "O2P", "C3'", "H3'", "O3'", "H_t"],
+            "link_labels": {"39": "5-prime"}
+        },
+        "WMG_5p": {
+            "smiles": "[H]OC1([H])C([H])(N2C([H])=NC3=C2N(C([H])([H])[H])C2=NC(C([H])([H])[H])=C(C([H])([H])[H])N2C3=O)OC([H])(C([H])([H])OP([H])(=O)[O-])C1([H])O",
+            "atom_name": ["HO'2", "O2'", "C2'", "H2'", "C1'", "H1'", "N9", "C8", "H8", "N7", "C5", "C4", "N3", "C14", "H26", "H27", "H28", "C2", "N2", "C11", "C10", "H20", "H21", "H22", "C12", "C13", "H23", "H24", "H25", "N1", "C6", "O6", "O4'", "C4'", "H4'", "C5'", "H5'1", "H5'2", "O5'", "P", "H_h", "O1P", "O2P", "C3'", "H3'", "O3'"],
+            "link_labels": {"45": "3-prime"}
+        },
+        "WMG_5": {
+            "smiles": "[H]OC([H])([H])C1([H])OC([H])(N2C([H])=NC3=C2N(C([H])([H])[H])C2=NC(C([H])([H])[H])=C(C([H])([H])[H])N2C3=O)C([H])(O[H])C1([H])O",
+            "atom_name": ["H29", "O5'", "C5'", "H5'1", "H5'2", "C4'", "H4'", "O4'", "C1'", "H1'", "N9", "C8", "H8", "N7", "C5", "C4", "N3", "C14", "H26", "H27", "H28", "C2", "N2", "C11", "C10", "H20", "H21", "H22", "C12", "C13", "H23", "H24", "H25", "N1", "C6", "O6", "C2'", "H2'", "O2'", "HO'2", "C3'", "H3'", "O3'"],
+            "link_labels": {"42": "3-prime"}
+        },
+        "WMG_fl-ccd": {
+            "smiles": "[H]C1=C([H])C(F)=C(C([H])(N2C([H])([H])C([H])([H])N([H])C([H])([H])C2([H])[H])C([H])([H])[H])C([H])=C1[H]",
+            "atom_name": ["H16", "C12", "C13", "H2", "C14", "F15", "C09", "C02", "H6", "N03", "C04", "H7", "H8", "C05", "H9", "H10", "N06", "H18", "C07", "H11", "H12", "C08", "H13", "H14", "C01", "H3", "H4", "H5", "C10", "H1", "C11", "H15"],
+            "link_labels": {}
+        }
+    }
 }
diff --git a/meeko/linked_rdkit_chorizo.py b/meeko/linked_rdkit_chorizo.py
index f23a6294..7501cc22 100644
--- a/meeko/linked_rdkit_chorizo.py
+++ b/meeko/linked_rdkit_chorizo.py
@@ -2333,7 +2333,13 @@ def __init__(self, smiles, link_labels=None, atom_names=None):
         ps = Chem.SmilesParserParams()
         ps.removeHs = False
         mol = Chem.MolFromSmiles(smiles, ps)
-        self.check(mol, link_labels, atom_names)
+        try:
+            self.check(mol, link_labels, atom_names)
+        except Exception as e:
+            print(smiles, link_labels, atom_names)
+            print(e)
+            import sys
+            sys.exit(2)
         self.mol = mol
         self.link_labels = link_labels
         self.atom_names = atom_names

From c8914943dbc41edc207c65404fd36aef8e886472 Mon Sep 17 00:00:00 2001
From: Amy He <ayhe1768@gmail.com>
Date: Sun, 27 Oct 2024 20:59:21 -0700
Subject: [PATCH 144/166] Revert debugging changes that were unintentionally
 committed

---
 meeko/linked_rdkit_chorizo.py | 8 +-------
 1 file changed, 1 insertion(+), 7 deletions(-)

diff --git a/meeko/linked_rdkit_chorizo.py b/meeko/linked_rdkit_chorizo.py
index 7501cc22..f23a6294 100644
--- a/meeko/linked_rdkit_chorizo.py
+++ b/meeko/linked_rdkit_chorizo.py
@@ -2333,13 +2333,7 @@ def __init__(self, smiles, link_labels=None, atom_names=None):
         ps = Chem.SmilesParserParams()
         ps.removeHs = False
         mol = Chem.MolFromSmiles(smiles, ps)
-        try:
-            self.check(mol, link_labels, atom_names)
-        except Exception as e:
-            print(smiles, link_labels, atom_names)
-            print(e)
-            import sys
-            sys.exit(2)
+        self.check(mol, link_labels, atom_names)
         self.mol = mol
         self.link_labels = link_labels
         self.atom_names = atom_names

From 6a5131876693048651d98f2c78deadb58b99ea58 Mon Sep 17 00:00:00 2001
From: diogom <diogom@scripps.edu>
Date: Mon, 28 Oct 2024 10:19:39 -0700
Subject: [PATCH 145/166] report which resname failed building template from
 CCD

---
 meeko/linked_rdkit_chorizo.py | 9 +++++----
 1 file changed, 5 insertions(+), 4 deletions(-)

diff --git a/meeko/linked_rdkit_chorizo.py b/meeko/linked_rdkit_chorizo.py
index 420b862f..172993e3 100644
--- a/meeko/linked_rdkit_chorizo.py
+++ b/meeko/linked_rdkit_chorizo.py
@@ -787,8 +787,8 @@ def __init__(
                 unbound_unknown_res.pop(key, None) 
 
             if unbound_unknown_res: 
-                try: 
-                    for resname in set(unbound_unknown_res.values()): 
+                for resname in set(unbound_unknown_res.values()): 
+                    try: 
                         cc = build_noncovalent_CC(resname)
                         fetch_template_dict = json.loads(export_chem_templates_to_json([cc]))['residue_templates'][cc.resname]
                         residue_templates.update({resname: ResidueTemplate(
@@ -796,8 +796,9 @@ def __init__(
                                                     atom_names = fetch_template_dict['atom_name'],
                                                     link_labels = fetch_template_dict['link_labels'])})
                         ambiguous[resname] = [cc.resname]
-                except Exception as e: 
-                    raise ChorizoCreationError(str(e))
+                    except Exception as e: 
+                        print(f"Failed building template from CCD for {resname=}")
+                        raise ChorizoCreationError(str(e))
 
             if bonded_unknown_res: 
                 failed_build = set()

From 9cef7a3081a766977137f703b7be8c1b155017a6 Mon Sep 17 00:00:00 2001
From: diogom <diogom@scripps.edu>
Date: Mon, 28 Oct 2024 13:30:46 -0700
Subject: [PATCH 146/166] add template matching tests and check for polymer
 user deleted bonds

---
 meeko/linked_rdkit_chorizo.py                 | 22 ++++++--
 test/linked_rdkit_chorizo_creation_test.py    | 51 ++++++++++++++++++-
 test/linked_rdkit_chorizo_data/has-lyn.pdb    | 50 ++++++++++++++++++
 .../has-lys-resname-lyn.pdb                   | 51 +++++++++++++++++++
 test/linked_rdkit_chorizo_data/has-lys.pdb    | 51 +++++++++++++++++++
 5 files changed, 220 insertions(+), 5 deletions(-)
 create mode 100644 test/linked_rdkit_chorizo_data/has-lyn.pdb
 create mode 100644 test/linked_rdkit_chorizo_data/has-lys-resname-lyn.pdb
 create mode 100644 test/linked_rdkit_chorizo_data/has-lys.pdb

diff --git a/meeko/linked_rdkit_chorizo.py b/meeko/linked_rdkit_chorizo.py
index 9eaa8263..53131fdd 100644
--- a/meeko/linked_rdkit_chorizo.py
+++ b/meeko/linked_rdkit_chorizo.py
@@ -822,10 +822,17 @@ def from_pdb_string(
         bonds = find_inter_mols_bonds(raw_input_mols)
         if bonds_to_delete is not None:
             for res1, res2 in bonds_to_delete:
+                popped = ()
                 if (res1, res2) in bonds:
-                    bonds.pop((res1, res2))
+                    popped = bonds.pop((res1, res2))
                 elif (res2, res1) in bonds:
-                    bonds.pop((res2, res1))
+                    popped = bonds.pop((res2, res1))
+                if len(popped) >= 2:
+                    msg = (
+                        "can't delete bonds for residue pairs that have more"
+                        " than one bond between them"
+                    )
+                    raise NotImplementedError(msg)
         chorizo = cls(
             raw_input_mols,
             bonds,
@@ -909,10 +916,17 @@ def from_prody(
         bonds = find_inter_mols_bonds(raw_input_mols)
         if bonds_to_delete is not None:
             for res1, res2 in bonds_to_delete:
+                popped = ()
                 if (res1, res2) in bonds:
-                    bonds.pop((res1, res2))
+                    popped = bonds.pop((res1, res2))
                 elif (res2, res1) in bonds:
-                    bonds.pop((res2, res1))
+                    popped = bonds.pop((res2, res1))
+                if len(popped) >= 2:
+                    msg = (
+                        "can't delete bonds for residue pairs that have more"
+                        " than one bond between them"
+                    )
+                    raise NotImplementedError(msg)
         chorizo = cls(
             raw_input_mols,
             bonds,
diff --git a/test/linked_rdkit_chorizo_creation_test.py b/test/linked_rdkit_chorizo_creation_test.py
index 7987e01c..a2fa6851 100644
--- a/test/linked_rdkit_chorizo_creation_test.py
+++ b/test/linked_rdkit_chorizo_creation_test.py
@@ -25,6 +25,9 @@
 insertion_code = pkgdir / "test/linked_rdkit_chorizo_data/1igy_B_82-83_has-icode.pdb"
 non_sequential_res = pkgdir / "test/linked_rdkit_chorizo_data/non-sequential-res.pdb"
 has_altloc = pkgdir / "test/linked_rdkit_chorizo_data/has-altloc.pdb"
+has_lys = pkgdir / "test/linked_rdkit_chorizo_data/has-lys.pdb"
+has_lyn = pkgdir / "test/linked_rdkit_chorizo_data/has-lyn.pdb"
+has_lyn_resname_lys = pkgdir / "test/linked_rdkit_chorizo_data/has-lyn-resname-lys.pdb"
 
 
 # TODO: add checks for untested chorizo fields (e.g. input options not indicated here)
@@ -274,7 +277,8 @@ def test_disulfides():
             blunt_ends=[("B:22", 0), ("B:22", 2), ("B:95", 0), ("B:95", 2)],
         )
 
-    # remove bond and expect CYS between residues (currently, max one bond between each pair of residues)
+    # remove bond and expect CYS between residues
+    # currently, all bonds between a pair of residues will be removed
     chorizo_thiols = LinkedRDKitChorizo.from_pdb_string(
         pdb_text,
         chem_templates,
@@ -403,3 +407,48 @@ def test_altloc():
         if name == "OG":
             break
     assert abs(xyz[index][0] - 12.346) < 0.001
+
+def test_set_template_LYN():
+    """the input is fully protonated NH3+"""
+    with open(loop_with_disulfide) as f:
+        pdb_string = f.read()
+    chorizo = LinkedRDKitChorizo.from_pdb_string(
+        pdb_string,
+        chem_templates,
+        mk_prep,
+        set_template={":16": "LYN"},
+    )
+    res16 = chorizo.residues[":16"]
+    res17 = chorizo.residues[":17"]
+    assert res17.residue_template_key == "CYX"
+    assert res16.residue_template_key == "LYN"
+    chrg16 = sum([a.charge for a in res16.molsetup.atoms if not a.is_ignore])
+    assert abs(chrg16) < 1e-6
+
+def test_weird_zero_coord():
+    with open(has_lys) as f:
+        pdbstr = f.read()
+    chorizo = LinkedRDKitChorizo.from_pdb_string(pdbstr, chem_templates, mk_prep)
+    for _, res in chorizo.residues.items():
+        for atom in res.molsetup.atoms:
+            x = float(atom.coord[0])
+            y = float(atom.coord[1])
+            z = float(atom.coord[2])
+            assert x**2 + y**2 + z**2 > 1e-6
+
+def test_auto_LYN():
+    with open(has_lyn) as f:
+        pdbstr = f.read()
+    chorizo = LinkedRDKitChorizo.from_pdb_string(pdbstr, chem_templates, mk_prep)
+    assert chorizo.residues[":15"].residue_template_key == "LEU"
+    assert chorizo.residues[":16"].residue_template_key == "LYN"
+    assert chorizo.residues[":17"].residue_template_key == "CYX"
+    with open(has_lys) as f:
+        pdbstr = f.read()
+    chorizo = LinkedRDKitChorizo.from_pdb_string(pdbstr, chem_templates, mk_prep)
+    assert chorizo.residues[":16"].residue_template_key == "LYS"
+    assert chorizo.residues[":17"].residue_template_key == "CYX"
+    with open(has_lyn_resname_lys) as f:
+        pdbstr = f.read()
+    chorizo = LinkedRDKitChorizo.from_pdb_string(pdbstr, chem_templates, mk_prep)
+    assert chorizo.residues[":16"].residue_template_key == "LYS"
diff --git a/test/linked_rdkit_chorizo_data/has-lyn.pdb b/test/linked_rdkit_chorizo_data/has-lyn.pdb
new file mode 100644
index 00000000..256b38d6
--- /dev/null
+++ b/test/linked_rdkit_chorizo_data/has-lyn.pdb
@@ -0,0 +1,50 @@
+ATOM    158  N   LEU    15       7.208 -14.588 -31.062  1.00  0.00           N  
+ATOM    159  CA  LEU    15       5.974 -13.804 -31.104  1.00  0.00           C  
+ATOM    160  C   LEU    15       5.044 -14.290 -32.217  1.00  0.00           C  
+ATOM    161  O   LEU    15       5.497 -14.558 -33.330  1.00  0.00           O  
+ATOM    162  CB  LEU    15       6.286 -12.319 -31.310  1.00  0.00           C  
+ATOM    163  CG  LEU    15       6.940 -11.521 -30.179  1.00  0.00           C  
+ATOM    164  CD1 LEU    15       8.441 -11.763 -30.116  1.00  0.00           C  
+ATOM    165  CD2 LEU    15       6.643 -10.038 -30.338  1.00  0.00           C  
+ATOM    166  H   LEU    15       7.884 -14.457 -31.801  1.00  0.00           H  
+ATOM    167  HA  LEU    15       5.432 -13.919 -30.165  1.00  0.00           H  
+ATOM    168  HB2 LEU    15       6.958 -12.351 -32.167  1.00  0.00           H  
+ATOM    169  HB3 LEU    15       5.351 -11.839 -31.600  1.00  0.00           H  
+ATOM    170  HG  LEU    15       6.484 -11.823 -29.236  1.00  0.00           H  
+ATOM    171 HD11 LEU    15       8.898 -11.461 -31.058  1.00  0.00           H  
+ATOM    172 HD12 LEU    15       8.870 -11.180 -29.301  1.00  0.00           H  
+ATOM    173 HD13 LEU    15       8.632 -12.822 -29.944  1.00  0.00           H  
+ATOM    174 HD21 LEU    15       5.565  -9.878 -30.309  1.00  0.00           H  
+ATOM    175 HD22 LEU    15       7.114  -9.483 -29.527  1.00  0.00           H  
+ATOM    176 HD23 LEU    15       7.036  -9.689 -31.293  1.00  0.00           H  
+ATOM    177  N   LYS    16       3.747 -14.401 -31.926  1.00  0.00           N  
+ATOM    178  CA  LYS    16       2.790 -14.813 -32.961  1.00  0.00           C  
+ATOM    179  C   LYS    16       1.422 -14.139 -32.842  1.00  0.00           C  
+ATOM    180  O   LYS    16       0.950 -13.850 -31.741  1.00  0.00           O  
+ATOM    181  CB  LYS    16       2.628 -16.337 -32.999  1.00  0.00           C  
+ATOM    182  CG  LYS    16       3.628 -17.060 -33.893  1.00  0.00           C  
+ATOM    183  CD  LYS    16       3.051 -18.373 -34.409  1.00  0.00           C  
+ATOM    184  CE  LYS    16       4.062 -19.143 -35.242  1.00  0.00           C  
+ATOM    185  NZ  LYS    16       5.034 -19.904 -34.410  1.00  0.00           N1+
+ATOM    186  H   LYS    16       3.410 -14.287 -30.981  1.00  0.00           H  
+ATOM    187  HA  LYS    16       3.144 -14.476 -33.935  1.00  0.00           H  
+ATOM    188  HB2 LYS    16       2.735 -16.692 -31.974  1.00  0.00           H  
+ATOM    189  HB3 LYS    16       1.616 -16.539 -33.349  1.00  0.00           H  
+ATOM    190  HG2 LYS    16       3.873 -16.415 -34.737  1.00  0.00           H  
+ATOM    191  HG3 LYS    16       4.531 -17.262 -33.316  1.00  0.00           H  
+ATOM    192  HD2 LYS    16       2.751 -18.977 -33.552  1.00  0.00           H  
+ATOM    193  HD3 LYS    16       2.175 -18.148 -35.018  1.00  0.00           H  
+ATOM    194  HE2 LYS    16       3.511 -19.834 -35.880  1.00  0.00           H  
+ATOM    195  HE3 LYS    16       4.599 -18.425 -35.862  1.00  0.00           H  
+ATOM    196  HZ1 LYS    16       4.537 -20.569 -33.835  1.00  0.00           H  
+ATOM    197  HZ2 LYS    16       5.680 -20.395 -35.011  1.00  0.00           H  
+ATOM    199  N   CYX    17       0.790 -13.902 -33.988  1.00  0.00           N  
+ATOM    200  CA  CYX    17      -0.491 -13.209 -34.034  1.00  0.00           C  
+ATOM    201  C   CYX    17      -1.410 -13.834 -35.062  1.00  0.00           C  
+ATOM    202  O   CYX    17      -0.952 -14.454 -36.020  1.00  0.00           O  
+ATOM    203  CB  CYX    17      -0.282 -11.739 -34.389  1.00  0.00           C  
+ATOM    204  SG  CYX    17       0.638 -10.812 -33.158  1.00  0.00           S  
+ATOM    205  H   CYX    17       1.206 -14.198 -34.859  1.00  0.00           H  
+ATOM    206  HA  CYX    17      -0.980 -13.266 -33.062  1.00  0.00           H  
+ATOM    207  HB2 CYX    17       0.272 -11.666 -35.325  1.00  0.00           H  
+ATOM    208  HB3 CYX    17      -1.250 -11.251 -34.501  1.00  0.00           H  
diff --git a/test/linked_rdkit_chorizo_data/has-lys-resname-lyn.pdb b/test/linked_rdkit_chorizo_data/has-lys-resname-lyn.pdb
new file mode 100644
index 00000000..7f550f31
--- /dev/null
+++ b/test/linked_rdkit_chorizo_data/has-lys-resname-lyn.pdb
@@ -0,0 +1,51 @@
+ATOM    158  N   LEU    15       7.208 -14.588 -31.062  1.00  0.00           N  
+ATOM    159  CA  LEU    15       5.974 -13.804 -31.104  1.00  0.00           C  
+ATOM    160  C   LEU    15       5.044 -14.290 -32.217  1.00  0.00           C  
+ATOM    161  O   LEU    15       5.497 -14.558 -33.330  1.00  0.00           O  
+ATOM    162  CB  LEU    15       6.286 -12.319 -31.310  1.00  0.00           C  
+ATOM    163  CG  LEU    15       6.940 -11.521 -30.179  1.00  0.00           C  
+ATOM    164  CD1 LEU    15       8.441 -11.763 -30.116  1.00  0.00           C  
+ATOM    165  CD2 LEU    15       6.643 -10.038 -30.338  1.00  0.00           C  
+ATOM    166  H   LEU    15       7.884 -14.457 -31.801  1.00  0.00           H  
+ATOM    167  HA  LEU    15       5.432 -13.919 -30.165  1.00  0.00           H  
+ATOM    168  HB2 LEU    15       6.958 -12.351 -32.167  1.00  0.00           H  
+ATOM    169  HB3 LEU    15       5.351 -11.839 -31.600  1.00  0.00           H  
+ATOM    170  HG  LEU    15       6.484 -11.823 -29.236  1.00  0.00           H  
+ATOM    171 HD11 LEU    15       8.898 -11.461 -31.058  1.00  0.00           H  
+ATOM    172 HD12 LEU    15       8.870 -11.180 -29.301  1.00  0.00           H  
+ATOM    173 HD13 LEU    15       8.632 -12.822 -29.944  1.00  0.00           H  
+ATOM    174 HD21 LEU    15       5.565  -9.878 -30.309  1.00  0.00           H  
+ATOM    175 HD22 LEU    15       7.114  -9.483 -29.527  1.00  0.00           H  
+ATOM    176 HD23 LEU    15       7.036  -9.689 -31.293  1.00  0.00           H  
+ATOM    177  N   LYN    16       3.747 -14.401 -31.926  1.00  0.00           N  
+ATOM    178  CA  LYN    16       2.790 -14.813 -32.961  1.00  0.00           C  
+ATOM    179  C   LYN    16       1.422 -14.139 -32.842  1.00  0.00           C  
+ATOM    180  O   LYN    16       0.950 -13.850 -31.741  1.00  0.00           O  
+ATOM    181  CB  LYN    16       2.628 -16.337 -32.999  1.00  0.00           C  
+ATOM    182  CG  LYN    16       3.628 -17.060 -33.893  1.00  0.00           C  
+ATOM    183  CD  LYN    16       3.051 -18.373 -34.409  1.00  0.00           C  
+ATOM    184  CE  LYN    16       4.062 -19.143 -35.242  1.00  0.00           C  
+ATOM    185  NZ  LYN    16       5.034 -19.904 -34.410  1.00  0.00           N1+
+ATOM    186  H   LYN    16       3.410 -14.287 -30.981  1.00  0.00           H  
+ATOM    187  HA  LYN    16       3.144 -14.476 -33.935  1.00  0.00           H  
+ATOM    188  HB2 LYN    16       2.735 -16.692 -31.974  1.00  0.00           H  
+ATOM    189  HB3 LYN    16       1.616 -16.539 -33.349  1.00  0.00           H  
+ATOM    190  HG2 LYN    16       3.873 -16.415 -34.737  1.00  0.00           H  
+ATOM    191  HG3 LYN    16       4.531 -17.262 -33.316  1.00  0.00           H  
+ATOM    192  HD2 LYN    16       2.751 -18.977 -33.552  1.00  0.00           H  
+ATOM    193  HD3 LYN    16       2.175 -18.148 -35.018  1.00  0.00           H  
+ATOM    194  HE2 LYN    16       3.511 -19.834 -35.880  1.00  0.00           H  
+ATOM    195  HE3 LYN    16       4.599 -18.425 -35.862  1.00  0.00           H  
+ATOM    196  HZ1 LYN    16       4.537 -20.569 -33.835  1.00  0.00           H  
+ATOM    197  HZ2 LYN    16       5.680 -20.395 -35.011  1.00  0.00           H  
+ATOM    198  HZ3 LYN    16       5.545 -19.264 -33.819  1.00  0.00           H  
+ATOM    199  N   CYX    17       0.790 -13.902 -33.988  1.00  0.00           N  
+ATOM    200  CA  CYX    17      -0.491 -13.209 -34.034  1.00  0.00           C  
+ATOM    201  C   CYX    17      -1.410 -13.834 -35.062  1.00  0.00           C  
+ATOM    202  O   CYX    17      -0.952 -14.454 -36.020  1.00  0.00           O  
+ATOM    203  CB  CYX    17      -0.282 -11.739 -34.389  1.00  0.00           C  
+ATOM    204  SG  CYX    17       0.638 -10.812 -33.158  1.00  0.00           S  
+ATOM    205  H   CYX    17       1.206 -14.198 -34.859  1.00  0.00           H  
+ATOM    206  HA  CYX    17      -0.980 -13.266 -33.062  1.00  0.00           H  
+ATOM    207  HB2 CYX    17       0.272 -11.666 -35.325  1.00  0.00           H  
+ATOM    208  HB3 CYX    17      -1.250 -11.251 -34.501  1.00  0.00           H  
diff --git a/test/linked_rdkit_chorizo_data/has-lys.pdb b/test/linked_rdkit_chorizo_data/has-lys.pdb
new file mode 100644
index 00000000..c2d8c197
--- /dev/null
+++ b/test/linked_rdkit_chorizo_data/has-lys.pdb
@@ -0,0 +1,51 @@
+ATOM    158  N   LEU    15       7.208 -14.588 -31.062  1.00  0.00           N  
+ATOM    159  CA  LEU    15       5.974 -13.804 -31.104  1.00  0.00           C  
+ATOM    160  C   LEU    15       5.044 -14.290 -32.217  1.00  0.00           C  
+ATOM    161  O   LEU    15       5.497 -14.558 -33.330  1.00  0.00           O  
+ATOM    162  CB  LEU    15       6.286 -12.319 -31.310  1.00  0.00           C  
+ATOM    163  CG  LEU    15       6.940 -11.521 -30.179  1.00  0.00           C  
+ATOM    164  CD1 LEU    15       8.441 -11.763 -30.116  1.00  0.00           C  
+ATOM    165  CD2 LEU    15       6.643 -10.038 -30.338  1.00  0.00           C  
+ATOM    166  H   LEU    15       7.884 -14.457 -31.801  1.00  0.00           H  
+ATOM    167  HA  LEU    15       5.432 -13.919 -30.165  1.00  0.00           H  
+ATOM    168  HB2 LEU    15       6.958 -12.351 -32.167  1.00  0.00           H  
+ATOM    169  HB3 LEU    15       5.351 -11.839 -31.600  1.00  0.00           H  
+ATOM    170  HG  LEU    15       6.484 -11.823 -29.236  1.00  0.00           H  
+ATOM    171 HD11 LEU    15       8.898 -11.461 -31.058  1.00  0.00           H  
+ATOM    172 HD12 LEU    15       8.870 -11.180 -29.301  1.00  0.00           H  
+ATOM    173 HD13 LEU    15       8.632 -12.822 -29.944  1.00  0.00           H  
+ATOM    174 HD21 LEU    15       5.565  -9.878 -30.309  1.00  0.00           H  
+ATOM    175 HD22 LEU    15       7.114  -9.483 -29.527  1.00  0.00           H  
+ATOM    176 HD23 LEU    15       7.036  -9.689 -31.293  1.00  0.00           H  
+ATOM    177  N   LYS    16       3.747 -14.401 -31.926  1.00  0.00           N  
+ATOM    178  CA  LYS    16       2.790 -14.813 -32.961  1.00  0.00           C  
+ATOM    179  C   LYS    16       1.422 -14.139 -32.842  1.00  0.00           C  
+ATOM    180  O   LYS    16       0.950 -13.850 -31.741  1.00  0.00           O  
+ATOM    181  CB  LYS    16       2.628 -16.337 -32.999  1.00  0.00           C  
+ATOM    182  CG  LYS    16       3.628 -17.060 -33.893  1.00  0.00           C  
+ATOM    183  CD  LYS    16       3.051 -18.373 -34.409  1.00  0.00           C  
+ATOM    184  CE  LYS    16       4.062 -19.143 -35.242  1.00  0.00           C  
+ATOM    185  NZ  LYS    16       5.034 -19.904 -34.410  1.00  0.00           N1+
+ATOM    186  H   LYS    16       3.410 -14.287 -30.981  1.00  0.00           H  
+ATOM    187  HA  LYS    16       3.144 -14.476 -33.935  1.00  0.00           H  
+ATOM    188  HB2 LYS    16       2.735 -16.692 -31.974  1.00  0.00           H  
+ATOM    189  HB3 LYS    16       1.616 -16.539 -33.349  1.00  0.00           H  
+ATOM    190  HG2 LYS    16       3.873 -16.415 -34.737  1.00  0.00           H  
+ATOM    191  HG3 LYS    16       4.531 -17.262 -33.316  1.00  0.00           H  
+ATOM    192  HD2 LYS    16       2.751 -18.977 -33.552  1.00  0.00           H  
+ATOM    193  HD3 LYS    16       2.175 -18.148 -35.018  1.00  0.00           H  
+ATOM    194  HE2 LYS    16       3.511 -19.834 -35.880  1.00  0.00           H  
+ATOM    195  HE3 LYS    16       4.599 -18.425 -35.862  1.00  0.00           H  
+ATOM    196  HZ1 LYS    16       4.537 -20.569 -33.835  1.00  0.00           H  
+ATOM    197  HZ2 LYS    16       5.680 -20.395 -35.011  1.00  0.00           H  
+ATOM    198  HZ3 LYS    16       5.545 -19.264 -33.819  1.00  0.00           H  
+ATOM    199  N   CYX    17       0.790 -13.902 -33.988  1.00  0.00           N  
+ATOM    200  CA  CYX    17      -0.491 -13.209 -34.034  1.00  0.00           C  
+ATOM    201  C   CYX    17      -1.410 -13.834 -35.062  1.00  0.00           C  
+ATOM    202  O   CYX    17      -0.952 -14.454 -36.020  1.00  0.00           O  
+ATOM    203  CB  CYX    17      -0.282 -11.739 -34.389  1.00  0.00           C  
+ATOM    204  SG  CYX    17       0.638 -10.812 -33.158  1.00  0.00           S  
+ATOM    205  H   CYX    17       1.206 -14.198 -34.859  1.00  0.00           H  
+ATOM    206  HA  CYX    17      -0.980 -13.266 -33.062  1.00  0.00           H  
+ATOM    207  HB2 CYX    17       0.272 -11.666 -35.325  1.00  0.00           H  
+ATOM    208  HB3 CYX    17      -1.250 -11.251 -34.501  1.00  0.00           H  

From ad390ecbb55eefc60b1884d8009fd1df27eca479 Mon Sep 17 00:00:00 2001
From: Bilal Shaikh <bilalshaikh42@gmail.com>
Date: Mon, 28 Oct 2024 17:19:41 -0700
Subject: [PATCH 147/166] docs: remove extra line

The Readme contained an extra repeated line, probably a typo.
Removed
---
 README.md | 1 -
 1 file changed, 1 deletion(-)

diff --git a/README.md b/README.md
index bbbb9de3..a87be1c1 100644
--- a/README.md
+++ b/README.md
@@ -275,7 +275,6 @@ naming scheme for atoms and residues, e.g., `HIE` or `HID`
 instead of `HIS`.
 
 ### 2. Prepare protein pdbqt
-Here, `wk.pdb` was written by waterkit.
 Here, `wk.pdb` was written by waterkit. The example below will center a gridbox of specified size on the given reactive residue.
 
 ```console

From 261d2b7d27944d7d0807014359ce15d785b9f8de Mon Sep 17 00:00:00 2001
From: Amy He <ayhe1768@gmail.com>
Date: Tue, 29 Oct 2024 17:39:47 -0700
Subject: [PATCH 148/166] very minor improvements to metavar for mk_export.py

---
 scripts/mk_export.py | 6 +++---
 1 file changed, 3 insertions(+), 3 deletions(-)

diff --git a/scripts/mk_export.py b/scripts/mk_export.py
index 66bc303e..a3803d7e 100755
--- a/scripts/mk_export.py
+++ b/scripts/mk_export.py
@@ -24,17 +24,17 @@ def cmd_lineparser():
     parser.add_argument(dest='docking_results_filename', nargs = "+",
                         help='Docking output file(s), either PDBQT \
                         file from Vina or DLG file from AD-GPU.')
-    parser.add_argument('-s', '--write_sdf', metavar='filename',
+    parser.add_argument('-s', '--write_sdf', metavar='output_SDF_filename',
                         help="defaults to input filename with suffix from --sufix")
     parser.add_argument(
         '-p',
         '--write_pdb',
-        metavar='filename',
+        metavar='output_PDB_filename',
         help="defaults to input filename with suffix from --suffix",
     )
     parser.add_argument("--suffix", default="_docked",
                         help="suffix for output filesnames that are not explicitly set")
-    parser.add_argument('-j', '--read_json', metavar='filename',
+    parser.add_argument('-j', '--read_json', metavar='input_JSON_filename',
                         help="receptor written by mk_prepare_receptor -j/--write_json")
     parser.add_argument('--all_dlg_poses', action='store_true',
                         help="write all AutoDock-GPU poses, not just cluster leads.")

From 27e6a24d45d4472b0a786e5971256ab8776c1278 Mon Sep 17 00:00:00 2001
From: Amy He <ayhe1768@gmail.com>
Date: Tue, 29 Oct 2024 21:53:35 -0700
Subject: [PATCH 149/166] use absolute import

---
 meeko/chemtempgen.py | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/meeko/chemtempgen.py b/meeko/chemtempgen.py
index c3421716..bdb95d34 100644
--- a/meeko/chemtempgen.py
+++ b/meeko/chemtempgen.py
@@ -9,7 +9,7 @@
 import atexit
 import os
 
-from .utils.rdkitutils import covalent_radius
+from meeko.utils.rdkitutils import covalent_radius
 
 from rdkit import Chem
 from rdkit.Chem import rdmolops

From 20a6a861564162b106ebdc15b70e4149dfc915b2 Mon Sep 17 00:00:00 2001
From: Amy He <ayhe1768@gmail.com>
Date: Wed, 30 Oct 2024 16:33:24 -0700
Subject: [PATCH 150/166] fix order of BEGIN_RES record

---
 scripts/mk_prepare_ligand.py | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/scripts/mk_prepare_ligand.py b/scripts/mk_prepare_ligand.py
index c51a145b..4fc32d96 100755
--- a/scripts/mk_prepare_ligand.py
+++ b/scripts/mk_prepare_ligand.py
@@ -584,7 +584,7 @@ def get_suffixes(molsetups):
                     root_atom_index=root_atom_index,
                     not_terminal_atoms=[root_atom_index],
                 )
-                res, chain, num = cov_lig.res_id
+                chain, res, num = cov_lig.res_id
                 suffixes = output.get_suffixes(molsetups)
                 for molsetup, suffix in zip(molsetups, suffixes):
                     pdbqt_string, success, error_msg = PDBQTWriterLegacy.write_string(

From fe976df032ab2b06216059199b83b8533e8f98a2 Mon Sep 17 00:00:00 2001
From: Amy He <ayhe1768@gmail.com>
Date: Wed, 30 Oct 2024 16:39:49 -0700
Subject: [PATCH 151/166] chekc if sdf_string is empty; exit before creating
 empty SDF if SDF is the only expected output

---
 scripts/mk_export.py | 10 ++++++++++
 1 file changed, 10 insertions(+)

diff --git a/scripts/mk_export.py b/scripts/mk_export.py
index 66bc303e..24e11c25 100755
--- a/scripts/mk_export.py
+++ b/scripts/mk_export.py
@@ -103,6 +103,16 @@ def cmd_lineparser():
     )
     for i in failures:
         warnings.warn("molecule %d not converted to RDKit/SD File" % i)
+    if sdf_string == "": 
+        warnings.warn("sdf_string does not contain molecular data. " % i)
+        if redirect_stdout or write_pdb: 
+            pass
+        else:
+            print("Output SDF will not be created because there is no pose data for ligand. \n"
+                    + "Maybe the input poses only contain flexible sidechains and \n"
+                    + "keep_flexres_sdf is set to False. \n"
+                    + "Use -k with mk_export.py to retain the flexres and write to output SDF File. ")
+            sys.exit(2)
     if len(failures) == len(pdbqt_mol._atom_annotations["mol_index"]):
         msg = "\nCould not convert to RDKit. Maybe meeko was not used for preparing\n"
         msg += "the input PDBQT for docking, and the SMILES string is missing?\n"

From 56f7f311168d72c54b7968053042e97e355f502f Mon Sep 17 00:00:00 2001
From: Amy He <ayhe1768@gmail.com>
Date: Wed, 30 Oct 2024 16:46:11 -0700
Subject: [PATCH 152/166] fix typo

---
 scripts/mk_export.py | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/scripts/mk_export.py b/scripts/mk_export.py
index 24e11c25..074a0606 100755
--- a/scripts/mk_export.py
+++ b/scripts/mk_export.py
@@ -104,7 +104,7 @@ def cmd_lineparser():
     for i in failures:
         warnings.warn("molecule %d not converted to RDKit/SD File" % i)
     if sdf_string == "": 
-        warnings.warn("sdf_string does not contain molecular data. " % i)
+        warnings.warn("sdf_string does not contain molecular data.")
         if redirect_stdout or write_pdb: 
             pass
         else:

From 1ab693ea1a2667daff5ed5327c95e990ec933e30 Mon Sep 17 00:00:00 2001
From: Amy He <ayhe1768@gmail.com>
Date: Thu, 31 Oct 2024 08:39:13 -0700
Subject: [PATCH 153/166] assign new position after popping root atoms

---
 meeko/export_flexres.py | 3 ++-
 1 file changed, 2 insertions(+), 1 deletion(-)

diff --git a/meeko/export_flexres.py b/meeko/export_flexres.py
index 67603d6d..fe29bda2 100644
--- a/meeko/export_flexres.py
+++ b/meeko/export_flexres.py
@@ -71,7 +71,7 @@ def export_pdb_updated_flexres(chorizo, pdbqt_mol):
                 raise RuntimeError(f"{hit_count=} {len(molsetup_matched)=}")
             if hit_count != sum(is_flexres_atom):
                 raise RuntimeError(f"{hit_count=} {sum(is_flexres_atom)=}")
-            new_positions[res_id] = sidechain_positions
+            # new_positions[res_id] = sidechain_positions
 
             # remove root atom(s) (often C-alpha) and first atom after bond
             flex_model = chorizo.residues[res_id].molsetup.flexibility_model
@@ -92,5 +92,6 @@ def export_pdb_updated_flexres(chorizo, pdbqt_mol):
                     to_pop.add(index) 
             for index in to_pop:
                 sidechain_positions.pop(index)
+            new_positions[res_id] = sidechain_positions
     pdbstr = chorizo.to_pdb(new_positions)
     return pdbstr

From f4ecf26105e72bc889b53064a699609407f77978 Mon Sep 17 00:00:00 2001
From: Amy He <ayhe1768@gmail.com>
Date: Thu, 31 Oct 2024 12:07:40 -0700
Subject: [PATCH 154/166] (WIP) export cov residue

---
 meeko/export_flexres.py   | 33 +++++++++++++++++++++++++++++++++
 meeko/rdkit_mol_create.py |  4 ++--
 2 files changed, 35 insertions(+), 2 deletions(-)

diff --git a/meeko/export_flexres.py b/meeko/export_flexres.py
index fe29bda2..b0f751c9 100644
--- a/meeko/export_flexres.py
+++ b/meeko/export_flexres.py
@@ -3,6 +3,8 @@
 from rdkit.Geometry import Point3D
 from .utils.utils import parse_begin_res
 from .utils.utils import mini_periodic_table
+from .rdkit_mol_create import RDKitMolCreate
+from .linked_rdkit_chorizo import ChorizoResidue
 
 
 mini_periodic_table = {v: k for k, v in mini_periodic_table.items()}
@@ -42,8 +44,14 @@ def export_pdb_updated_flexres(chorizo, pdbqt_mol):
             res_id = parse_begin_res(flexres_id[mol_idx])
             atoms = pdbqt_mol.atoms(atom_idxs)
             molsetup_to_pdbqt = pdbqt_mol._pose_data["index_map"][mol_idx]
+            
             molsetup_to_template = chorizo.residues[res_id].molsetup_mapidx
             template_to_molsetup = {j: i for i, j in molsetup_to_template.items()}
+            for k in pdbqt_mol._pose_data:
+                if k not in ('active_atoms', 'pdbqt_string'): 
+                    print(k)
+                    print(pdbqt_mol._pose_data[k])
+                    print('*'*60)
 
             # use index_map stored in PDBQT REMARK
             if molsetup_to_pdbqt:
@@ -51,8 +59,27 @@ def export_pdb_updated_flexres(chorizo, pdbqt_mol):
                 for i, j in molsetup_to_pdbqt.items():
                     template_to_pdbqt[molsetup_to_template[i - 1]] = j - 1
 
+            # use smiles and smiles_index_map in PDBQT REMARK
+            # smiles will be None if it's a typical flexres
+            # but there will be a valid Smiles string if it's a covalent flexres
+            elif pdbqt_mol._pose_data["smiles"][mol_idx] is not None: 
+                
+                covres_mol = RDKitMolCreate.from_pdbqt_mol(pdbqt_mol, 
+                                                           only_cluster_leads=False, 
+                                                           keep_flexres=True)[mol_idx]
+                chorizo.residues[res_id].rdkit_mol = covres_mol
+                chorizo.residues[res_id].atom_names = [atom.GetSymbol() for atom in covres_mol.GetAtoms()]
+                new_positions[res_id] = {idx: coord for idx,coord in enumerate(covres_mol.GetConformer().GetPositions())}
+                
+                
+                pdbstr = chorizo.to_pdb(new_positions)
+                return pdbstr
+
             # use chorizo template to match sidechain
             else:
+                print(type(atoms))
+                print(atoms[0].dtype.names)
+                print(atoms[0])
                 mol = sidechain_to_mol(atoms)
                 key = chorizo.residues[res_id].residue_template_key
                 template = chorizo.residue_chem_templates.residue_templates[key]
@@ -66,6 +93,11 @@ def export_pdb_updated_flexres(chorizo, pdbqt_mol):
             if len(molsetup_matched) != len(template_to_pdbqt):
                 raise RuntimeError(f"{len(molsetup_matched)} {len(template_to_pdbqt)=}")
             is_flexres_atom = chorizo.residues[res_id].is_flexres_atom 
+            print(chorizo.residues[res_id].atom_names)
+            print(is_flexres_atom)
+            print([chorizo.residues[res_id].atom_names[molsetup_to_template[i]] 
+                   for i,v in enumerate(is_flexres_atom)
+                   if v==True])
             hit_count = sum([is_flexres_atom[i] for i in molsetup_matched])
             if hit_count != len(molsetup_matched):
                 raise RuntimeError(f"{hit_count=} {len(molsetup_matched)=}")
@@ -93,5 +125,6 @@ def export_pdb_updated_flexres(chorizo, pdbqt_mol):
             for index in to_pop:
                 sidechain_positions.pop(index)
             new_positions[res_id] = sidechain_positions
+    
     pdbstr = chorizo.to_pdb(new_positions)
     return pdbstr
diff --git a/meeko/rdkit_mol_create.py b/meeko/rdkit_mol_create.py
index 30d1eecf..fd2a95db 100644
--- a/meeko/rdkit_mol_create.py
+++ b/meeko/rdkit_mol_create.py
@@ -334,8 +334,8 @@ def add_pose_to_mol(cls, mol, ligand_coordinates, index_map):
                     raise RuntimeError("Expected H to have one neighbor")
                 AllChem.SetTerminalAtomCoords(mol, i, neigh[0].GetIdx())
         return mol
-
-
+    
+    
     @staticmethod
     def add_hydrogens(mol, coordinates_list, h_parent):
         """Add hydrogen atoms to ligand RDKit mol, adjust the positions of

From 06fd1ceed65b5aaf3bedb86b83c44ea7009502dd Mon Sep 17 00:00:00 2001
From: Amy He <ayhe1768@gmail.com>
Date: Thu, 31 Oct 2024 15:06:06 -0700
Subject: [PATCH 155/166] working version to export from covdocking dlg

---
 meeko/export_flexres.py | 171 ++++++++++++++++++++++++----------------
 scripts/mk_export.py    |  11 ++-
 2 files changed, 113 insertions(+), 69 deletions(-)

diff --git a/meeko/export_flexres.py b/meeko/export_flexres.py
index b0f751c9..5765e881 100644
--- a/meeko/export_flexres.py
+++ b/meeko/export_flexres.py
@@ -4,7 +4,6 @@
 from .utils.utils import parse_begin_res
 from .utils.utils import mini_periodic_table
 from .rdkit_mol_create import RDKitMolCreate
-from .linked_rdkit_chorizo import ChorizoResidue
 
 
 mini_periodic_table = {v: k for k, v in mini_periodic_table.items()}
@@ -47,84 +46,122 @@ def export_pdb_updated_flexres(chorizo, pdbqt_mol):
             
             molsetup_to_template = chorizo.residues[res_id].molsetup_mapidx
             template_to_molsetup = {j: i for i, j in molsetup_to_template.items()}
-            for k in pdbqt_mol._pose_data:
-                if k not in ('active_atoms', 'pdbqt_string'): 
-                    print(k)
-                    print(pdbqt_mol._pose_data[k])
-                    print('*'*60)
-
-            # use index_map stored in PDBQT REMARK
-            if molsetup_to_pdbqt:
-                template_to_pdbqt = {}
-                for i, j in molsetup_to_pdbqt.items():
-                    template_to_pdbqt[molsetup_to_template[i - 1]] = j - 1
-
+            
             # use smiles and smiles_index_map in PDBQT REMARK
             # smiles will be None if it's a typical flexres
             # but there will be a valid Smiles string if it's a covalent flexres
-            elif pdbqt_mol._pose_data["smiles"][mol_idx] is not None: 
+            if pdbqt_mol._pose_data["smiles"][mol_idx] is not None: 
+
+                orig_resmol = Chem.Mol(chorizo.residues[res_id].rdkit_mol)
+                orig_atomnames = chorizo.residues[res_id].atom_names
                 
+                backbone_SMARTS = "[NX3]([H])[CX4][CX3](=O)"
+                expected_names = ('N', 'H', 'CA', 'C', 'O')
+
+                backbone_qmol = Chem.MolFromSmarts(backbone_SMARTS)
+                backbone_matches = orig_resmol.GetSubstructMatches(backbone_qmol)
+
+                if not backbone_matches: 
+                    raise RuntimeError(f"Could not find standard backbone structures in receptor {res_id}. ")
+                backbone_expected = tuple(orig_atomnames.index(atom_name) for atom_name in expected_names)
+
+                if backbone_expected not in backbone_matches: 
+                    raise RuntimeError(f"Could not confirm residue's backbone by atom names in receptor {res_id}. ")
+                
+                not_backbone = [atom.GetIdx() for atom in orig_resmol.GetAtoms() if atom.GetIdx() not in backbone_expected]
+                orig_backbone = Chem.RWMol(orig_resmol)
+                for idx in sorted(not_backbone, reverse=True):
+                    orig_backbone.RemoveAtom(idx)
+                orig_backbone = orig_backbone.GetMol()
+              
                 covres_mol = RDKitMolCreate.from_pdbqt_mol(pdbqt_mol, 
                                                            only_cluster_leads=False, 
                                                            keep_flexres=True)[mol_idx]
-                chorizo.residues[res_id].rdkit_mol = covres_mol
-                chorizo.residues[res_id].atom_names = [atom.GetSymbol() for atom in covres_mol.GetAtoms()]
-                new_positions[res_id] = {idx: coord for idx,coord in enumerate(covres_mol.GetConformer().GetPositions())}
                 
+                covres_conformer = covres_mol.GetConformer()
+                CA_index = None
+                target_coord = orig_backbone.GetConformer().GetPositions()[expected_names.index('CA')]
+                tolerance = 5e-3
+                for atom in covres_mol.GetAtoms():
+                    idx = atom.GetIdx()
+                    pos = covres_conformer.GetAtomPosition(idx)
+                    if (abs(pos.x - target_coord[0]) <= tolerance and
+                        abs(pos.y - target_coord[1]) <= tolerance and
+                        abs(pos.z - target_coord[2]) <= tolerance):
+                        CA_index = idx
+                        break
+                if CA_index is None:
+                    raise RuntimeError(f"Could not determine CA by coordinates in docked pose of {res_id}. ")
                 
-                pdbstr = chorizo.to_pdb(new_positions)
-                return pdbstr
+                CA_in_covres = covres_mol.GetAtomWithIdx(CA_index)
+                bonds_to_recover = []
+                for bond in CA_in_covres.GetBonds():
+                    neighbor_idx = bond.GetOtherAtomIdx(CA_index)
+                    bond_type = bond.GetBondType()
+                    bonds_to_recover.append((neighbor_idx, bond_type))
+
+                combined_res = Chem.RWMol(Chem.CombineMols(covres_mol, orig_backbone))
+                for neighbor_idx, bond_type in bonds_to_recover: 
+                    new_CA_idx = covres_mol.GetNumAtoms() + expected_names.index('CA')
+                    combined_res.AddBond(new_CA_idx, neighbor_idx, bond_type)
+                combined_res.RemoveAtom(CA_index)
+                combined_res = combined_res.GetMol()
+
+                chorizo.residues[res_id].rdkit_mol = combined_res
+                chorizo.residues[res_id].atom_names = [atom.GetSymbol() for atom in combined_res.GetAtoms()]
+                new_positions[res_id] = {idx: coord for idx,coord in enumerate(combined_res.GetConformer().GetPositions())}
+
+            else: # use templates
+            
+                # use index_map stored in PDBQT REMARK
+                if molsetup_to_pdbqt:
+                    template_to_pdbqt = {}
+                    for i, j in molsetup_to_pdbqt.items():
+                        template_to_pdbqt[molsetup_to_template[i - 1]] = j - 1
+
 
-            # use chorizo template to match sidechain
-            else:
-                print(type(atoms))
-                print(atoms[0].dtype.names)
-                print(atoms[0])
-                mol = sidechain_to_mol(atoms)
-                key = chorizo.residues[res_id].residue_template_key
-                template = chorizo.residue_chem_templates.residue_templates[key]
-                _, template_to_pdbqt = template.match(mol)
+                # use chorizo template to match sidechain
+                else:
+                    mol = sidechain_to_mol(atoms)
+                    key = chorizo.residues[res_id].residue_template_key
+                    template = chorizo.residue_chem_templates.residue_templates[key]
+                    _, template_to_pdbqt = template.match(mol)
 
-            sidechain_positions = {}
-            molsetup_matched = set()
-            for i, j in template_to_pdbqt.items():
-                molsetup_matched.add(template_to_molsetup[i])
-                sidechain_positions[i] = tuple(atoms["xyz"][j])
-            if len(molsetup_matched) != len(template_to_pdbqt):
-                raise RuntimeError(f"{len(molsetup_matched)} {len(template_to_pdbqt)=}")
-            is_flexres_atom = chorizo.residues[res_id].is_flexres_atom 
-            print(chorizo.residues[res_id].atom_names)
-            print(is_flexres_atom)
-            print([chorizo.residues[res_id].atom_names[molsetup_to_template[i]] 
-                   for i,v in enumerate(is_flexres_atom)
-                   if v==True])
-            hit_count = sum([is_flexres_atom[i] for i in molsetup_matched])
-            if hit_count != len(molsetup_matched):
-                raise RuntimeError(f"{hit_count=} {len(molsetup_matched)=}")
-            if hit_count != sum(is_flexres_atom):
-                raise RuntimeError(f"{hit_count=} {sum(is_flexres_atom)=}")
-            # new_positions[res_id] = sidechain_positions
+                sidechain_positions = {}
+                molsetup_matched = set()
+                for i, j in template_to_pdbqt.items():
+                    molsetup_matched.add(template_to_molsetup[i])
+                    sidechain_positions[i] = tuple(atoms["xyz"][j])
+                if len(molsetup_matched) != len(template_to_pdbqt):
+                    raise RuntimeError(f"{len(molsetup_matched)} {len(template_to_pdbqt)=}")
+                is_flexres_atom = chorizo.residues[res_id].is_flexres_atom 
+                hit_count = sum([is_flexres_atom[i] for i in molsetup_matched])
+                if hit_count != len(molsetup_matched):
+                    raise RuntimeError(f"{hit_count=} {len(molsetup_matched)=}")
+                if hit_count != sum(is_flexres_atom):
+                    raise RuntimeError(f"{hit_count=} {sum(is_flexres_atom)=}")
+                # new_positions[res_id] = sidechain_positions
 
-            # remove root atom(s) (often C-alpha) and first atom after bond
-            flex_model = chorizo.residues[res_id].molsetup.flexibility_model
-            root_body_idx = flex_model["root"]
-            graph = flex_model["rigid_body_graph"]
-            conn = flex_model["rigid_body_connectivity"]
-            rigid_index_by_atom = flex_model["rigid_index_by_atom"]
-            first_after_root = set()
-            for other_body_idx in graph[root_body_idx]:
-                first_after_root.add(conn[(root_body_idx, other_body_idx)][1])
-            to_pop = set()
-            for index in sidechain_positions:
-                index_molsetup = template_to_molsetup[index]
-                if (
-                    rigid_index_by_atom[index_molsetup] == root_body_idx or 
-                    index_molsetup in first_after_root
-                ): 
-                    to_pop.add(index) 
-            for index in to_pop:
-                sidechain_positions.pop(index)
-            new_positions[res_id] = sidechain_positions
+                # remove root atom(s) (often C-alpha) and first atom after bond
+                flex_model = chorizo.residues[res_id].molsetup.flexibility_model
+                root_body_idx = flex_model["root"]
+                graph = flex_model["rigid_body_graph"]
+                conn = flex_model["rigid_body_connectivity"]
+                rigid_index_by_atom = flex_model["rigid_index_by_atom"]
+                first_after_root = set()
+                for other_body_idx in graph[root_body_idx]:
+                    first_after_root.add(conn[(root_body_idx, other_body_idx)][1])
+                to_pop = set()
+                for index in sidechain_positions:
+                    index_molsetup = template_to_molsetup[index]
+                    if (
+                        rigid_index_by_atom[index_molsetup] == root_body_idx or 
+                        index_molsetup in first_after_root
+                    ): 
+                        to_pop.add(index) 
+                for index in to_pop:
+                    sidechain_positions.pop(index)
+                new_positions[res_id] = sidechain_positions
     
     pdbstr = chorizo.to_pdb(new_positions)
     return pdbstr
diff --git a/scripts/mk_export.py b/scripts/mk_export.py
index 074a0606..b72f1224 100755
--- a/scripts/mk_export.py
+++ b/scripts/mk_export.py
@@ -8,6 +8,8 @@
 import pathlib
 import sys
 import warnings
+import copy
+import numpy as np
 
 from rdkit import Chem
 
@@ -132,10 +134,15 @@ def cmd_lineparser():
     # write receptor with updated flexres
     if read_json is not None:
         pdb_string = ""
-        for pose in pdbqt_mol:
+        for i in range(pdbqt_mol._pose_data['n_poses']):
+            pose = copy.deepcopy(pdbqt_mol[i])
             model_nr = pose.pose_id + 1
+            pose._positions = np.array([pdbqt_mol._positions[pose.pose_id]])
+            pose._pose_data['n_poses'] = 1  # Update the number of poses to reflect the reduction
+            pose._current_pose = 0  # Reset to the first (and only) pose
             pdb_string += "MODEL " + f"{model_nr:8}" + pathlib.os.linesep
-            pdb_string += export_pdb_updated_flexres(polymer, pose)
+            pol_copy = copy.deepcopy(polymer)
+            pdb_string += export_pdb_updated_flexres(pol_copy, pose)
             pdb_string += "ENDMDL" + pathlib.os.linesep
         if write_pdb is None:
             fn = pathlib.Path(filename).with_suffix("").name + f"{suffix}.pdb"

From 903287f09dcf228f9f32346dc513454478b2418d Mon Sep 17 00:00:00 2001
From: Amy He <ayhe1768@gmail.com>
Date: Thu, 31 Oct 2024 17:27:28 -0700
Subject: [PATCH 156/166] deepcopy pdbqt_mol outside of loop

---
 scripts/mk_export.py | 16 +++++++++-------
 1 file changed, 9 insertions(+), 7 deletions(-)

diff --git a/scripts/mk_export.py b/scripts/mk_export.py
index b72f1224..eb6fd43f 100755
--- a/scripts/mk_export.py
+++ b/scripts/mk_export.py
@@ -17,6 +17,7 @@
 from meeko import RDKitMolCreate
 from meeko import LinkedRDKitChorizo
 from meeko import export_pdb_updated_flexres
+from meeko.utils.utils import parse_begin_res
 
 
 def cmd_lineparser():
@@ -134,15 +135,16 @@ def cmd_lineparser():
     # write receptor with updated flexres
     if read_json is not None:
         pdb_string = ""
-        for i in range(pdbqt_mol._pose_data['n_poses']):
-            pose = copy.deepcopy(pdbqt_mol[i])
-            model_nr = pose.pose_id + 1
-            pose._positions = np.array([pdbqt_mol._positions[pose.pose_id]])
-            pose._pose_data['n_poses'] = 1  # Update the number of poses to reflect the reduction
-            pose._current_pose = 0  # Reset to the first (and only) pose
+        pose_id_to_iter = [pose.pose_id for pose in pdbqt_mol]
+        iter_pose = copy.deepcopy(pdbqt_mol)
+        for pose_id in pose_id_to_iter:
+            model_nr = pose_id + 1
+            iter_pose._positions = np.array([pdbqt_mol._positions[pose_id]])
+            iter_pose._pose_data['n_poses'] = 1  # Update the number of poses to reflect the reduction
+            iter_pose._current_pose = 0  # Reset to the first (and only) pose
             pdb_string += "MODEL " + f"{model_nr:8}" + pathlib.os.linesep
             pol_copy = copy.deepcopy(polymer)
-            pdb_string += export_pdb_updated_flexres(pol_copy, pose)
+            pdb_string += export_pdb_updated_flexres(pol_copy, iter_pose)
             pdb_string += "ENDMDL" + pathlib.os.linesep
         if write_pdb is None:
             fn = pathlib.Path(filename).with_suffix("").name + f"{suffix}.pdb"

From 2d93fa34745549f8c1a67c6b8d6e39d086fbdd5c Mon Sep 17 00:00:00 2001
From: diogom <diogom@scripps.edu>
Date: Fri, 1 Nov 2024 14:13:11 -0700
Subject: [PATCH 157/166] add auto_blunt attribute to chorizo/polymer padders

---
 meeko/data/residue_chem_templates.json     | 15 ++--
 meeko/linked_rdkit_chorizo.py              | 96 ++++++----------------
 test/linked_rdkit_chorizo_creation_test.py | 41 +++++----
 3 files changed, 59 insertions(+), 93 deletions(-)

diff --git a/meeko/data/residue_chem_templates.json b/meeko/data/residue_chem_templates.json
index 484c9def..27673c46 100644
--- a/meeko/data/residue_chem_templates.json
+++ b/meeko/data/residue_chem_templates.json
@@ -38,23 +38,28 @@
 	"padders": {
 	"5-prime": {
 		"rxn_smarts": "[PX4h1:1]>>[P:1][O:11][C:12]",
-		"adjacent_res_smarts": "[O+0X2h1:11][CX4:12]1CC(n)[OX2]C1"
+		"adjacent_res_smarts": "[O+0X2h1:11][CX4:12]1CC(n)[OX2]C1",
+		"auto_blunt": true
 	},
 	"3-prime": {
 		"rxn_smarts": "[O+0X2h1:1][CX4:2]>>[O:1]([C:2])[P:11]([O-:12])(=[O:13])[O:14][C:15]",
-		"adjacent_res_smarts": "[PX4h1:11]([O-:12])(=[O:13])[O:14][C:15]"
+		"adjacent_res_smarts": "[PX4h1:11]([O-:12])(=[O:13])[O:14][C:15]",
+		"auto_blunt": true
 	},
 	"N-term": {
 		"rxn_smarts": "[C:1](=[O:2])[C:3][N:4]>>[C:1](=[O:2])[C:3][N:4][C:11](=[O:12])[C:13]",
-		"adjacent_res_smarts": "[C:11](=[O:12])[C:13][N]"
+		"adjacent_res_smarts": "[C:11](=[O:12])[C:13][N]",
+		"auto_blunt": true
 	},
 	"C-term": {
 		"rxn_smarts": "[C:1](=[O:2])[C:3][N:4]>>[C:11][N:12][C:1](=[O:2])[C:3][N:4]",
-		"adjacent_res_smarts": "[C](=O)[C:11][N:12]"
+		"adjacent_res_smarts": "[C](=O)[C:11][N:12]",
+		"auto_blunt": true
 	},
 	"dissulfide": {
 		"rxn_smarts": "[C:1][S:2]>>[C:1][S:2][S:11][C:12]",
-		"adjacent_res_smarts": "[S:11][C:12]"
+		"adjacent_res_smarts": "[S:11][C:12]",
+		"auto_blunt": false
 	}
 	},
 
diff --git a/meeko/linked_rdkit_chorizo.py b/meeko/linked_rdkit_chorizo.py
index 53131fdd..73b6afac 100644
--- a/meeko/linked_rdkit_chorizo.py
+++ b/meeko/linked_rdkit_chorizo.py
@@ -590,7 +590,8 @@ def from_dict(cls, alldata):
         for link_label, data in alldata["padders"].items():
             rxn_smarts = data["rxn_smarts"]
             adjacent_res_smarts = data.get("adjacent_res_smarts", None)
-            padders[link_label] = ResiduePadder(rxn_smarts, adjacent_res_smarts)
+            auto_blunt = data.get("auto_blunt", False)
+            padders[link_label] = ResiduePadder(rxn_smarts, adjacent_res_smarts, auto_blunt)
         return cls(residue_templates, padders, ambiguous)
 
     @staticmethod
@@ -702,7 +703,6 @@ def __init__(
                 )
             raise ValueError(msg)
         self.residue_chem_templates = residue_chem_templates
-        residue_templates = residue_chem_templates.residue_templates
         padders = residue_chem_templates.padders
         ambiguous = residue_chem_templates.ambiguous
 
@@ -732,7 +732,7 @@ def __init__(
         self.residues, self.log = self._get_residues(
             raw_input_mols,
             ambiguous,
-            residue_templates,
+            residue_chem_templates,
             set_template,
             bonds,
             blunt_ends,
@@ -1055,62 +1055,6 @@ def _build_rdkit_mol(raw_mol, template, mapping, nr_missing_H):
 
         return rdkit_mol
 
-    @staticmethod
-    def _run_matching(raw_input_mol, residue_templates, bonds, residue_key, blunt_ends):
-        """
-
-        Parameters
-        ----------
-        raw_input_mol
-        residue_templates
-        bonds
-        residue_key
-        blunt_ends
-
-        Returns
-        -------
-
-        """
-        if blunt_ends is None:
-            blunt_ends = []
-        raw_atoms_with_bonds = []
-        for (r1, r2), (i, j) in bonds.items():
-            if r1 == residue_key:
-                raw_atoms_with_bonds.append(i)
-            if r2 == residue_key:
-                raw_atoms_with_bonds.append(j)
-        results = []
-        for index, template in enumerate(residue_templates):
-
-            # match intra-residue graph
-            match_stats, mapping = template.match(raw_input_mol)
-            from_raw = {value: key for (key, value) in mapping.items()}
-
-            # match inter-residue bonds
-            gotten = set()
-            for raw_index in raw_atoms_with_bonds:
-                index = from_raw[raw_index]
-                gotten.add(index)
-
-            # blunt ends are treated like fake bonds
-            for res_id, atom_idx in blunt_ends:
-                if res_id == residue_key:
-                    index = from_raw[atom_idx]
-                    gotten.add(index)
-            if blunt_ends is not None:
-                print(f"{gotten=}")
-            expected = set(template.link_labels)
-            result = {
-                "found": gotten.intersection(expected),
-                "missing": expected.difference(gotten),
-                "excess": gotten.difference(expected),
-            }
-            match_stats["bonds"] = result
-            match_stats["mapping"] = mapping
-
-            results.append(match_stats)
-        return results
-
     @staticmethod
     def _get_best_missing_Hs(results):
         """
@@ -1152,7 +1096,7 @@ def _get_residues(
         cls,
         raw_input_mols,
         ambiguous,
-        residue_templates,
+        residue_chem_templates,
         set_template,
         bonds,
         blunt_ends,
@@ -1163,7 +1107,7 @@ def _get_residues(
         ----------
         raw_input_mols
         ambiguous
-        residue_templates
+        residue_chem_templates
         set_template
         bonds
         blunt_ends
@@ -1172,6 +1116,8 @@ def _get_residues(
         -------
 
         """
+
+        residue_templates = residue_chem_templates.residue_templates
         residues = {}
         log = {
             "chosen_by_fewest_missing_H": {},
@@ -1282,11 +1228,15 @@ def _get_residues(
             # 2nd round
             if len(passed) == 0: 
                 for i in embedded_indices:
+                    auto_blunt = set()
+                    for j, padder_label in candidate_templates[i].link_labels.items():
+                        if residue_chem_templates.padders[padder_label].auto_blunt:
+                            auto_blunt.add(j)
                     if (
                         all_stats["heavy_missing"][i]
                         or all_stats["heavy_excess"][i]
                         or (not set(all_stats["H_excess"][i]) <= set(candidate_templates[i].link_labels) and not excess_H_ok)
-                        or not all_stats["bonded_atoms_missing"][i] <= set(candidate_templates[i].link_labels)
+                        or not all_stats["bonded_atoms_missing"][i] <= auto_blunt
                         or len(all_stats["bonded_atoms_excess"][i])
                     ):
                         continue
@@ -1342,12 +1292,11 @@ def _get_residues(
                         best_idxs.append(index)
 
                 if len(best_idxs) > 1:
-                    m = f"for {residue_key=}, {len(passed)} have passed" + os_linesep
+                    tied = " ".join(candidate_template_keys[i] for i in best_idxs)
+                    m = f"for {residue_key=}, {len(passed)} have passed: "
                     tkeys = [candidate_template_keys[i] for i in passed]
-                    m += f"these are: {tkeys}" + os_linesep
-                    m += "and were evaluated for the number of missing H"
-                    m += "however there was a tie between"  # TODO
-                    logger.error(m)
+                    m += f"{tkeys} and tied for fewest missing H: {tied} "
+                    raise RuntimeError(m)
                 elif len(best_idxs) == 0:
                     raise RuntimeError("unexpected situation")
                 else:
@@ -1839,9 +1788,6 @@ def get_valid_residues(self):
 
     # endregion
 
-    def to_json(self):
-        pass
-
 
 def add_rotamers_to_chorizo_molsetups(rotamer_states_list, chorizo):
     """
@@ -2064,7 +2010,7 @@ class ResiduePadder:
     # reaction should not delete atoms, not even Hs
     # reaction should create bonds at non-real Hs (implicit or explicit rdktt H)
 
-    def __init__(self, rxn_smarts: str, adjacent_res_smarts: str = None): 
+    def __init__(self, rxn_smarts: str, adjacent_res_smarts: str = None, auto_blunt:bool=False): 
         """
         Initialize the ResiduePadder with reaction SMARTS and optional adjacent residue SMARTS.
 
@@ -2081,10 +2027,14 @@ def __init__(self, rxn_smarts: str, adjacent_res_smarts: str = None):
             and copy their positions to padding atoms. The SMARTS atom labels
             must match those of the product atoms of rxn_smarts that are
             unmapped in the reagents.
+        auto_blunt: bool
+            missing bonds of ChorizoResidues will automatically be blunt if
+            this parameter is true, and raise an error otherwise
         """
 
         # Ensure rxn_smarts has single reactant and single product
         self.rxn = self._validate_rxn_smarts(rxn_smarts)
+        self.auto_blunt = auto_blunt
 
         # Fill in adjacent_smartsmol_mapidx
         if adjacent_res_smarts is None:
@@ -2541,6 +2491,7 @@ def default(self, obj):
             output_dict = {
                 "rxn_smarts": rdChemReactions.ReactionToSmarts(obj.rxn),
                 "adjacent_smarts": adjacent_smarts,
+                "auto_blunt": obj.auto_blunt,
             }
             # we are not serializing the adjacent_smartsmol_mapidx as that will
             # be rebuilt by the ResiduePadder init
@@ -2767,13 +2718,14 @@ def residue_padder_json_decoder(obj: dict):
     expected_residue_keys = {
         "rxn_smarts",
         "adjacent_smarts",
+        "auto_blunt",
     }
     if set(obj.keys()) != expected_residue_keys:
         return obj
 
     # Constructs a ResiduePadder object and restores the expected attributes
     # adjacent_smartsmol_mapidx is rebuilt by ResiduePadder init
-    residue_padder = ResiduePadder(obj["rxn_smarts"], obj["adjacent_smarts"])
+    residue_padder = ResiduePadder(obj["rxn_smarts"], obj["adjacent_smarts"], obj["auto_blunt"])
 
     return residue_padder
 
diff --git a/test/linked_rdkit_chorizo_creation_test.py b/test/linked_rdkit_chorizo_creation_test.py
index a2fa6851..27da5ed6 100644
--- a/test/linked_rdkit_chorizo_creation_test.py
+++ b/test/linked_rdkit_chorizo_creation_test.py
@@ -1,16 +1,18 @@
-from rdkit import Chem
-from meeko import LinkedRDKitChorizo
-from meeko import PDBQTWriterLegacy
-from meeko import MoleculePreparation
-from meeko import ResidueChemTemplates
-
 import json
 import pathlib
 import pytest
 import os
 
+from meeko import LinkedRDKitChorizo
+from meeko import PDBQTWriterLegacy
+from meeko import MoleculePreparation
+from meeko import ResidueChemTemplates
 import meeko
 
+from rdkit import Chem
+import numpy as np
+
+
 pkgdir = pathlib.Path(meeko.__file__).parents[1]
 meekodir = pathlib.Path(meeko.__file__).parents[0]
 
@@ -27,7 +29,7 @@
 has_altloc = pkgdir / "test/linked_rdkit_chorizo_data/has-altloc.pdb"
 has_lys = pkgdir / "test/linked_rdkit_chorizo_data/has-lys.pdb"
 has_lyn = pkgdir / "test/linked_rdkit_chorizo_data/has-lyn.pdb"
-has_lyn_resname_lys = pkgdir / "test/linked_rdkit_chorizo_data/has-lyn-resname-lys.pdb"
+has_lys_resname_lyn = pkgdir / "test/linked_rdkit_chorizo_data/has-lys-resname-lyn.pdb"
 
 
 # TODO: add checks for untested chorizo fields (e.g. input options not indicated here)
@@ -429,12 +431,16 @@ def test_weird_zero_coord():
     with open(has_lys) as f:
         pdbstr = f.read()
     chorizo = LinkedRDKitChorizo.from_pdb_string(pdbstr, chem_templates, mk_prep)
+    #pdbqt_strings = PDBQTWriterLegacy.write_string_from_linked_rdkit_chorizo(chorizo)
+    with open("BANANACUUBER.json", "w") as f:
+        f.write(chorizo.to_json())
     for _, res in chorizo.residues.items():
+        positions = res.rdkit_mol.GetConformer().GetPositions()
         for atom in res.molsetup.atoms:
-            x = float(atom.coord[0])
-            y = float(atom.coord[1])
-            z = float(atom.coord[2])
-            assert x**2 + y**2 + z**2 > 1e-6
+            # there was a bug in which the C-term CYS of has_lys would be
+            # be assigned the erroneous CCYS template,and the extra oxygen
+            # would get coordinates set to zero.
+            assert np.min(np.sum(positions**2, 1)) > 1e-6
 
 def test_auto_LYN():
     with open(has_lyn) as f:
@@ -442,13 +448,16 @@ def test_auto_LYN():
     chorizo = LinkedRDKitChorizo.from_pdb_string(pdbstr, chem_templates, mk_prep)
     assert chorizo.residues[":15"].residue_template_key == "LEU"
     assert chorizo.residues[":16"].residue_template_key == "LYN"
-    assert chorizo.residues[":17"].residue_template_key == "CYX"
+    assert chorizo.residues[":17"].residue_template_key == "CYX-"
     with open(has_lys) as f:
         pdbstr = f.read()
     chorizo = LinkedRDKitChorizo.from_pdb_string(pdbstr, chem_templates, mk_prep)
     assert chorizo.residues[":16"].residue_template_key == "LYS"
-    assert chorizo.residues[":17"].residue_template_key == "CYX"
-    with open(has_lyn_resname_lys) as f:
+    assert chorizo.residues[":17"].residue_template_key == "CYX-"
+    chorizo = LinkedRDKitChorizo.from_pdb_string(pdbstr, chem_templates, mk_prep, set_template={":16": "LYN"})
+    assert chorizo.residues[":16"].residue_template_key == "LYN"
+    assert chorizo.residues[":17"].residue_template_key == "CYX-"
+    with open(has_lys_resname_lyn) as f:
         pdbstr = f.read()
-    chorizo = LinkedRDKitChorizo.from_pdb_string(pdbstr, chem_templates, mk_prep)
-    assert chorizo.residues[":16"].residue_template_key == "LYS"
+    with pytest.raises(RuntimeError) as err_msg:
+        chorizo = LinkedRDKitChorizo.from_pdb_string(pdbstr, chem_templates, mk_prep)

From 3b053b52054385c54b0e7b11bb625cff9ead3081 Mon Sep 17 00:00:00 2001
From: diogom <diogom@scripps.edu>
Date: Fri, 1 Nov 2024 16:21:26 -0700
Subject: [PATCH 158/166] minor formatting fix for error message

---
 meeko/writer.py | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/meeko/writer.py b/meeko/writer.py
index b476992a..61a7af0d 100644
--- a/meeko/writer.py
+++ b/meeko/writer.py
@@ -527,7 +527,7 @@ def write_from_linked_rdkit_chorizo(cls, chorizo):
                 root = molsetup.flexibility_model["root"]
                 if len(graph[root]) != 1:
                     raise RuntimeError(
-                        f"flexible residue {res_id} has {len(graph[root])}",
+                        f"flexible residue {res_id} has {len(graph[root])}"
                         " rotatable bonds from root, but PDBQT is limited to 1"
                     )
                 # set ignore to True for static atoms of flexible sidechains

From a09b512edfb1bd27a8bc4d7eca769da9375baede Mon Sep 17 00:00:00 2001
From: diogom <diogom@scripps.edu>
Date: Fri, 1 Nov 2024 16:31:48 -0700
Subject: [PATCH 159/166] expose --charge_model to mk_prepare_ligand

---
 scripts/mk_prepare_ligand.py | 6 ++++++
 1 file changed, 6 insertions(+)

diff --git a/scripts/mk_prepare_ligand.py b/scripts/mk_prepare_ligand.py
index c51a145b..b29c97b0 100755
--- a/scripts/mk_prepare_ligand.py
+++ b/scripts/mk_prepare_ligand.py
@@ -210,6 +210,12 @@ def cmd_lineparser():
         help="penalty > 100 prevents breaking double bonds",
         type=int,
     )
+    config_group.add_argument(
+        "--charge_model",
+        choices=("gasteiger", "espaloma", "zero"),
+        help="default is 'gasteiger', 'zero' sets all zeros",
+        default="gasteiger",
+    )
     config_group.add_argument(
         "--bad_charge_ok",
         help="NaN and Inf charges allowed in PDBQT",

From cbda9ada36474e776d08ce8146f0a45dae60fb6d Mon Sep 17 00:00:00 2001
From: diogom <diogom@scripps.edu>
Date: Mon, 4 Nov 2024 10:28:23 -0800
Subject: [PATCH 160/166] rename LinkedRDKitChorizo to Polymer, ChorizoResidue
 to Monomer

---
 README.md                                     |   6 +-
 meeko/__init__.py                             |  32 +-
 meeko/chemtempgen.py                          |   2 +-
 meeko/export_flexres.py                       |  24 +-
 meeko/{linked_rdkit_chorizo.py => polymer.py} | 336 ++++++++----------
 meeko/reactive.py                             |   8 +-
 meeko/writer.py                               |  20 +-
 scripts/mk_export.py                          |   6 +-
 scripts/mk_prepare_receptor.py                |  46 +--
 test/flexres_export_test.py                   |  40 +--
 test/json_serialization_test.py               | 190 +++++-----
 ...ation_test.py => polymer_creation_test.py} | 216 +++++------
 .../1igy_B_82-83_has-icode.pdb                |   0
 .../AHHY.pdb                                  |   0
 .../disulfide_bridge_in_adjacent_residues.pdb |   0
 .../has-altloc.pdb                            |   0
 .../has-lyn.pdb                               |   0
 .../has-lys-resname-lyn.pdb                   |   0
 .../has-lys.pdb                               |   0
 .../just-one-ALA-missing-CB.pdb               |   0
 .../just-one-ALA.pdb                          |   0
 .../just-three-residues.pdb                   |   0
 .../just-three-residues_vina_flexres.pdbqt    |   0
 ...t-three-residues_vina_flexres_idxmap.pdbqt |   0
 .../just_a_disulfide_bridge.pdb               |   0
 .../loop_with_disulfide.pdb                   |   0
 .../non-sequential-res.pdb                    |   0
 27 files changed, 451 insertions(+), 475 deletions(-)
 rename meeko/{linked_rdkit_chorizo.py => polymer.py} (91%)
 rename test/{linked_rdkit_chorizo_creation_test.py => polymer_creation_test.py} (62%)
 rename test/{linked_rdkit_chorizo_data => polymer_data}/1igy_B_82-83_has-icode.pdb (100%)
 rename test/{linked_rdkit_chorizo_data => polymer_data}/AHHY.pdb (100%)
 rename test/{linked_rdkit_chorizo_data => polymer_data}/disulfide_bridge_in_adjacent_residues.pdb (100%)
 rename test/{linked_rdkit_chorizo_data => polymer_data}/has-altloc.pdb (100%)
 rename test/{linked_rdkit_chorizo_data => polymer_data}/has-lyn.pdb (100%)
 rename test/{linked_rdkit_chorizo_data => polymer_data}/has-lys-resname-lyn.pdb (100%)
 rename test/{linked_rdkit_chorizo_data => polymer_data}/has-lys.pdb (100%)
 rename test/{linked_rdkit_chorizo_data => polymer_data}/just-one-ALA-missing-CB.pdb (100%)
 rename test/{linked_rdkit_chorizo_data => polymer_data}/just-one-ALA.pdb (100%)
 rename test/{linked_rdkit_chorizo_data => polymer_data}/just-three-residues.pdb (100%)
 rename test/{linked_rdkit_chorizo_data => polymer_data}/just-three-residues_vina_flexres.pdbqt (100%)
 rename test/{linked_rdkit_chorizo_data => polymer_data}/just-three-residues_vina_flexres_idxmap.pdbqt (100%)
 rename test/{linked_rdkit_chorizo_data => polymer_data}/just_a_disulfide_bridge.pdb (100%)
 rename test/{linked_rdkit_chorizo_data => polymer_data}/loop_with_disulfide.pdb (100%)
 rename test/{linked_rdkit_chorizo_data => polymer_data}/non-sequential-res.pdb (100%)

diff --git a/README.md b/README.md
index 83f6f30f..7fa471c8 100644
--- a/README.md
+++ b/README.md
@@ -347,12 +347,12 @@ and it is suffixed with `reactive_config`.
 ADGPU -I *.reactive_config -L sufex1.pdbqt -N sufex1_docked_ -F *_flex.pdbqt -C 1
 ```
 
-## Chorizo docs temporary placeholder
+## Polymer docs temporary placeholder
 
 Current init is a builder method designed to parse PDB files and topology
-objects. It is not designed to chorizify a polymer that already exists
+objects. It is not designed to monomerize a polymer that already exists
 as a single RDKit molecule, or to build a single polymer molecule from the
-individual chorizo residues. To do that, one would have to react residues
+individual residues (monomers). To do that, one would have to react residues
 with each other. Padding could be adapted.
 
 
diff --git a/meeko/__init__.py b/meeko/__init__.py
index de840a7a..822d8cd7 100644
--- a/meeko/__init__.py
+++ b/meeko/__init__.py
@@ -25,19 +25,19 @@
 from .utils import utils
 from .atomtyper import AtomTyper
 from .receptor_pdbqt import PDBQTReceptor
-from .linked_rdkit_chorizo import LinkedRDKitChorizo
-from .linked_rdkit_chorizo import ChorizoResidue
-from .linked_rdkit_chorizo import ResiduePadder
-from .linked_rdkit_chorizo import ResidueTemplate
-from .linked_rdkit_chorizo import ResidueChemTemplates
-from .linked_rdkit_chorizo import LinkedRDKitChorizoEncoder
-from .linked_rdkit_chorizo import ChorizoResidueEncoder
-from .linked_rdkit_chorizo import ResiduePadderEncoder
-from .linked_rdkit_chorizo import ResidueTemplateEncoder
-from .linked_rdkit_chorizo import ResidueChemTemplatesEncoder
-from .linked_rdkit_chorizo import add_rotamers_to_chorizo_molsetups
-from .linked_rdkit_chorizo import linked_rdkit_chorizo_json_decoder
-from .linked_rdkit_chorizo import ChorizoCreationError
+from .polymer import Polymer
+from .polymer import Monomer
+from .polymer import ResiduePadder
+from .polymer import ResidueTemplate
+from .polymer import ResidueChemTemplates
+from .polymer import PolymerEncoder
+from .polymer import MonomerEncoder
+from .polymer import ResiduePadderEncoder
+from .polymer import ResidueTemplateEncoder
+from .polymer import ResidueChemTemplatesEncoder
+from .polymer import add_rotamers_to_polymer_molsetups
+from .polymer import polymer_json_decoder
+from .polymer import PolymerCreationError
 from .molecule_pdbqt import PDBQTMolecule
 from .rdkit_mol_create import RDKitMolCreate
 from .export_flexres import export_pdb_updated_flexres
@@ -63,10 +63,10 @@
 __all__ = ['MoleculePreparation', 'RDKitMoleculeSetup', 'MoleculeSetupEncoder',
            'pdbutils', 'geomutils', 'rdkitutils', 'utils',
            'AtomTyper', 'PDBQTMolecule', 'PDBQTReceptor', 'analysis',
-           'LinkedRDKitChorizo', 'ChorizoResidue', 'ResiduePadder', 'ResidueTemplate', 'ResidueChemTemplates',
-           'LinkedRDKitChorizoEncoder', 'ChorizoResidueEncoder', 'ResiduePadderEncoder', 'ResidueTemplateEncoder',
+           'Polymer', 'Monomer', 'ResiduePadder', 'ResidueTemplate', 'ResidueChemTemplates',
+           'PolymerEncoder', 'MonomerEncoder', 'ResiduePadderEncoder', 'ResidueTemplateEncoder',
            'ResidueChemTemplatesEncoder',
-           'add_rotamers_to_chorizo_molsetups',
+           'add_rotamers_to_polymer_molsetups',
            'RDKitMolCreate',
            'PDBQTWriterLegacy',
            'reactive_typer',
diff --git a/meeko/chemtempgen.py b/meeko/chemtempgen.py
index bdb95d34..1a351067 100644
--- a/meeko/chemtempgen.py
+++ b/meeko/chemtempgen.py
@@ -497,7 +497,7 @@ def make_link_labels_from_names(self, name_to_label_mapping = {}):
         return self
     
     def ResidueTemplate_check(self) -> bool:
-        # ResidueTemplate.check from linked_rdkit_chorizo
+        # ResidueTemplate.check from polymer
         ps = Chem.SmilesParserParams()
         ps.removeHs = False
         mol = Chem.MolFromSmiles(self.smiles_exh, ps)
diff --git a/meeko/export_flexres.py b/meeko/export_flexres.py
index 5765e881..4fffb7e2 100644
--- a/meeko/export_flexres.py
+++ b/meeko/export_flexres.py
@@ -35,7 +35,7 @@ def sidechain_to_mol(pdbqt_atoms):
     Chem.SanitizeMol(mol)
     return mol
 
-def export_pdb_updated_flexres(chorizo, pdbqt_mol):
+def export_pdb_updated_flexres(polymer, pdbqt_mol):
     flexres_id = pdbqt_mol._pose_data["mol_index_to_flexible_residue"]
     new_positions = {}
     for mol_idx, atom_idxs in pdbqt_mol._atom_annotations["mol_index"].items():
@@ -44,7 +44,7 @@ def export_pdb_updated_flexres(chorizo, pdbqt_mol):
             atoms = pdbqt_mol.atoms(atom_idxs)
             molsetup_to_pdbqt = pdbqt_mol._pose_data["index_map"][mol_idx]
             
-            molsetup_to_template = chorizo.residues[res_id].molsetup_mapidx
+            molsetup_to_template = polymer.monomers[res_id].molsetup_mapidx
             template_to_molsetup = {j: i for i, j in molsetup_to_template.items()}
             
             # use smiles and smiles_index_map in PDBQT REMARK
@@ -52,8 +52,8 @@ def export_pdb_updated_flexres(chorizo, pdbqt_mol):
             # but there will be a valid Smiles string if it's a covalent flexres
             if pdbqt_mol._pose_data["smiles"][mol_idx] is not None: 
 
-                orig_resmol = Chem.Mol(chorizo.residues[res_id].rdkit_mol)
-                orig_atomnames = chorizo.residues[res_id].atom_names
+                orig_resmol = Chem.Mol(polymer.monomers[res_id].rdkit_mol)
+                orig_atomnames = polymer.monomers[res_id].atom_names
                 
                 backbone_SMARTS = "[NX3]([H])[CX4][CX3](=O)"
                 expected_names = ('N', 'H', 'CA', 'C', 'O')
@@ -107,8 +107,8 @@ def export_pdb_updated_flexres(chorizo, pdbqt_mol):
                 combined_res.RemoveAtom(CA_index)
                 combined_res = combined_res.GetMol()
 
-                chorizo.residues[res_id].rdkit_mol = combined_res
-                chorizo.residues[res_id].atom_names = [atom.GetSymbol() for atom in combined_res.GetAtoms()]
+                polymer.monomers[res_id].rdkit_mol = combined_res
+                polymer.monomers[res_id].atom_names = [atom.GetSymbol() for atom in combined_res.GetAtoms()]
                 new_positions[res_id] = {idx: coord for idx,coord in enumerate(combined_res.GetConformer().GetPositions())}
 
             else: # use templates
@@ -120,11 +120,11 @@ def export_pdb_updated_flexres(chorizo, pdbqt_mol):
                         template_to_pdbqt[molsetup_to_template[i - 1]] = j - 1
 
 
-                # use chorizo template to match sidechain
+                # use polymer template to match sidechain
                 else:
                     mol = sidechain_to_mol(atoms)
-                    key = chorizo.residues[res_id].residue_template_key
-                    template = chorizo.residue_chem_templates.residue_templates[key]
+                    key = polymer.monomers[res_id].residue_template_key
+                    template = polymer.residue_chem_templates.residue_templates[key]
                     _, template_to_pdbqt = template.match(mol)
 
                 sidechain_positions = {}
@@ -134,7 +134,7 @@ def export_pdb_updated_flexres(chorizo, pdbqt_mol):
                     sidechain_positions[i] = tuple(atoms["xyz"][j])
                 if len(molsetup_matched) != len(template_to_pdbqt):
                     raise RuntimeError(f"{len(molsetup_matched)} {len(template_to_pdbqt)=}")
-                is_flexres_atom = chorizo.residues[res_id].is_flexres_atom 
+                is_flexres_atom = polymer.monomers[res_id].is_flexres_atom 
                 hit_count = sum([is_flexres_atom[i] for i in molsetup_matched])
                 if hit_count != len(molsetup_matched):
                     raise RuntimeError(f"{hit_count=} {len(molsetup_matched)=}")
@@ -143,7 +143,7 @@ def export_pdb_updated_flexres(chorizo, pdbqt_mol):
                 # new_positions[res_id] = sidechain_positions
 
                 # remove root atom(s) (often C-alpha) and first atom after bond
-                flex_model = chorizo.residues[res_id].molsetup.flexibility_model
+                flex_model = polymer.monomers[res_id].molsetup.flexibility_model
                 root_body_idx = flex_model["root"]
                 graph = flex_model["rigid_body_graph"]
                 conn = flex_model["rigid_body_connectivity"]
@@ -163,5 +163,5 @@ def export_pdb_updated_flexres(chorizo, pdbqt_mol):
                     sidechain_positions.pop(index)
                 new_positions[res_id] = sidechain_positions
     
-    pdbstr = chorizo.to_pdb(new_positions)
+    pdbstr = polymer.to_pdb(new_positions)
     return pdbstr
diff --git a/meeko/linked_rdkit_chorizo.py b/meeko/polymer.py
similarity index 91%
rename from meeko/linked_rdkit_chorizo.py
rename to meeko/polymer.py
index 7747dc46..91b09197 100644
--- a/meeko/linked_rdkit_chorizo.py
+++ b/meeko/polymer.py
@@ -329,17 +329,17 @@ def rectify_charges(q_list, net_charge=None, decimals=3) -> list[float]:
     return charges_dec
 
 
-def get_updated_positions(residue, new_positions: dict): 
+def get_updated_positions(monomer, new_positions: dict): 
     """
-    Returns full set of positions for the rdkit_mol in residue given a partial
+    Returns full set of positions for the rdkit_mol in monomer given a partial
     set of new_positions. Hydrogens not specified in new_positions will
     have their position reset by RDKit if they are one or two bonds away
     from an atom in new_positions.
 
     Parameters
     ----------
-    residue: ChorizoResidue
-        molecule associated with new positions
+    monomer: Monomer
+        rdkit_mol in monomer is associated with new positions
     new_positions: dict (int -> (float, float, float))
                          |      |
                 atom_index      |
@@ -347,7 +347,7 @@ def get_updated_positions(residue, new_positions: dict):
     """
 
     h_to_update = set()
-    mol = Chem.Mol(residue.rdkit_mol)  # avoids side effects
+    mol = Chem.Mol(monomer.rdkit_mol)  # avoids side effects
     conformer = mol.GetConformer()
 
     for n1 in (mol.GetAtomWithIdx(idx) for idx in new_positions):
@@ -479,7 +479,7 @@ def _delete_residues(res_to_delete, raw_input_mols):
     return
 
 
-class ChorizoCreationError(RuntimeError):
+class PolymerCreationError(RuntimeError):
 
     def __init__(self, error: str, recommendations: str = None): 
         super().__init__(error) # main error message to pass to RuntimeError
@@ -554,12 +554,12 @@ def handle_parsing_situations(
         recs += "" + os_linesep
         recs += "2. (processing individual structure) Inspecting and fixing the input structure is recommended." + os_linesep
         recs += "Use --wanted_altloc to set variants for specific residues."
-        raise ChorizoCreationError(err, recs)
+        raise PolymerCreationError(err, recs)
     return
 
 
 class ResidueChemTemplates:
-    """Holds template data required to initialize LinkedRDKitChorizo
+    """Holds template data required to initialize Polymer
 
     Attributes
     ----------
@@ -569,7 +569,7 @@ class ResidueChemTemplates:
         instances of ResiduePadder keyed by a link_label (a string)
         link_labels establish the relationship between ResidueTemplates
         and ResiduePadders, determining which padder is to be used to
-        pad each atom of an instance of ChorizoResidue that needs padding.
+        pad each atom of an instance of Monomer that needs padding.
     ambiguous: dict
         mapping between input residue names (e.g. the three-letter residue
         name from PDB files) and IDs (strings) of ResidueTemplates
@@ -614,16 +614,16 @@ def from_dict(cls, alldata):
         return cls(residue_templates, padders, ambiguous)
 
     @staticmethod
-    def _check_missing_padders(residues, padders):
+    def _check_missing_padders(residue_templates, padders):
 
         # can't guarantee full coverage because the topology that is passed
-        # to the chorizo may contain bonds between residues that are not
+        # to the Polymer may contain bonds between residues that are not
         # anticipated to be bonded, for example, protein N-term bonded to
         # nucleic acid 5 prime.
 
         # collect labels from residues
         link_labels_in_residues = set()
-        for reskey, res_template in residues.items():
+        for reskey, res_template in residue_templates.items():
             for _, link_label in res_template.link_labels.items():
                 link_labels_in_residues.add(link_label)
 
@@ -654,10 +654,10 @@ def _check_ambiguous_reskeys(residue_templates, ambiguous):
         return
 
 
-class LinkedRDKitChorizo:
+class Polymer:
     """Represents polymer with its subunits as individual RDKit molecules.
 
-    Used for proteins and nucleic acids. The key class is ChorizoResidue,
+    Used for proteins and nucleic acids. The key class is Monomer,
     which contains, a padded RDKit molecule containing part of the adjacent
     residues to enable chemically meaningful parameterizaion.
     Instances of ResidueTemplate make sure that the input, which may originate
@@ -666,7 +666,7 @@ class LinkedRDKitChorizo:
 
     Attributes
     ----------
-    residues: dict (string -> ChorizoResidue) #TODO: figure out exact SciPy standard for dictionary key/value notation
+    monomers: dict (string -> Monomer) #TODO: figure out exact SciPy standard for dictionary key/value notation
     termini: dict (string (representing residue id) -> string (representing what we want the capping to look like))
     mutate_res_dict: dict (string (representing starting residue id) -> string (representing the desired mutated id))
     res_templates: dict (string -> dict (rdkit_mol and atom_data))
@@ -718,7 +718,7 @@ def __init__(
             if type(raw_input_mols) == str:
                 msg += os_linesep
                 msg += (
-                    "consider LinkedRDKitChorizo.from_pdb_string(pdbstr)" + os_linesep
+                    "consider Polymer.from_pdb_string(pdbstr)" + os_linesep
                 )
             raise ValueError(msg)
         self.residue_chem_templates = residue_chem_templates
@@ -772,7 +772,7 @@ def __init__(
                 err += "Resdiues that are named UNL can't be parameterized. " + os_linesep
                 rec = "1. (to parameterize the residues) Use --set_template to specify valid residue names, " + os_linesep
                 rec += "2. (to skip the residues) Use --delete_residues to ignore them. Residues will be deleted from the prepared receptor. "
-                raise ChorizoCreationError(err, rec)
+                raise PolymerCreationError(err, rec)
 
             print(err)
             print("Trying to resolve unknown residues by building chemical templates... ")
@@ -799,7 +799,7 @@ def __init__(
                         ambiguous[resname] = [cc.resname]
                     except Exception as e: 
                         print(f"Failed building template from CCD for {resname=}")
-                        raise ChorizoCreationError(str(e))
+                        raise PolymerCreationError(str(e))
 
             if bonded_unknown_res: 
                 failed_build = set()
@@ -820,15 +820,15 @@ def __init__(
                                 else:
                                     ambiguous[resname] = [cc.resname]
                 except Exception as e: 
-                    raise ChorizoCreationError(str(e))
+                    raise PolymerCreationError(str(e))
                             
                 if failed_build: 
-                    raise ChorizoCreationError(f"Template generation failed for unknown residues: {failed_build}, which appear to be linking fragments. " + os_linesep
+                    raise PolymerCreationError(f"Template generation failed for unknown residues: {failed_build}, which appear to be linking fragments. " + os_linesep
                                             + "Generation of chemical templates with modified backbones, which involves guessing of linker positions and types, are not currently supported. ", 
                                             "1. (to parameterize the residues) Use --add_templates to pass the additional templates with valid linker_labels, " + os_linesep
                                             + "2. (to skip the residues) Use --delete_residues to ignore them. Residues will be deleted from the prepared receptor. ")
 
-        self.residues, self.log = self._get_residues(
+        self.monomers, self.log = self._get_monomers(
             raw_input_mols,
             ambiguous,
             residue_chem_templates,
@@ -839,21 +839,21 @@ def __init__(
 
         _bonds = {}
         for key, bond_list in bonds.items():
-            res1 = self.residues[key[0]]
-            res2 = self.residues[key[1]]
-            if res1.rdkit_mol is None or res2.rdkit_mol is None:
+            monomer1 = self.monomers[key[0]]
+            monomer2 = self.monomers[key[1]]
+            if monomer1.rdkit_mol is None or monomer2.rdkit_mol is None:
                 continue
-            invmap1 = {j: i for i, j in res1.mapidx_to_raw.items()}
-            invmap2 = {j: i for i, j in res2.mapidx_to_raw.items()}
+            invmap1 = {j: i for i, j in monomer1.mapidx_to_raw.items()}
+            invmap2 = {j: i for i, j in monomer2.mapidx_to_raw.items()}
             _bonds[key] = [(invmap1[b[0]], invmap2[b[1]]) for b in bond_list]
         bonds = _bonds
 
         # padding may seem overkill but we had to run a reaction anyway for h_coord_from_dipep
-        padded_mols = self._build_padded_mols(self.residues, bonds, padders)
+        padded_mols = self._build_padded_mols(self.monomers, bonds, padders)
         for residue_id, (padded_mol, mapidx_from_pad) in padded_mols.items():
-            residue = self.residues[residue_id]
-            residue.padded_mol = padded_mol
-            residue.molsetup_mapidx = mapidx_from_pad
+            monomer = self.monomers[residue_id]
+            monomer.padded_mol = padded_mol
+            monomer.molsetup_mapidx = mapidx_from_pad
 
         if mk_prep is not None:
             self.parameterize(mk_prep)
@@ -932,7 +932,7 @@ def from_pdb_string(
                         " than one bond between them"
                     )
                     raise NotImplementedError(msg)
-        chorizo = cls(
+        polymer = cls(
             raw_input_mols,
             bonds,
             chem_templates,
@@ -941,7 +941,7 @@ def from_pdb_string(
             blunt_ends,
         )
 
-        unmatched_res = chorizo.get_ignored_residues()
+        unmatched_res = polymer.get_ignored_monomers()
         handle_parsing_situations(
             unmatched_res,
             unparsed_res,
@@ -950,7 +950,7 @@ def from_pdb_string(
             res_needed_altloc,
         )
 
-        return chorizo
+        return polymer
 
 
     @classmethod
@@ -1026,7 +1026,7 @@ def from_prody(
                         " than one bond between them"
                     )
                     raise NotImplementedError(msg)
-        chorizo = cls(
+        polymer = cls(
             raw_input_mols,
             bonds,
             chem_templates,
@@ -1034,7 +1034,7 @@ def from_prody(
             set_template,
             blunt_ends,
         )
-        unmatched_res = chorizo.get_ignored_residues()
+        unmatched_res = polymer.get_ignored_monomers()
         handle_parsing_situations(
             unmatched_res,
             unparsed_res,
@@ -1043,17 +1043,17 @@ def from_prody(
             res_needed_altloc,
         )
 
-        return chorizo
+        return polymer
 
     @classmethod
     def from_json(cls, json_string):
         return json.loads(
             json_string,
-            object_hook=linked_rdkit_chorizo_json_decoder,
+            object_hook=polymer_json_decoder,
         )
 
     def to_json(self):
-        return json.dumps(self, cls=LinkedRDKitChorizoEncoder)
+        return json.dumps(self, cls=PolymerEncoder)
 
     def parameterize(self, mk_prep):
         """
@@ -1067,20 +1067,20 @@ def parameterize(self, mk_prep):
 
         """
 
-        for residue_id in self.get_valid_residues():
-            residue = self.residues[residue_id]
-            molsetups = mk_prep(residue.padded_mol)
+        for residue_id in self.get_valid_monomers():
+            monomer = self.monomers[residue_id]
+            molsetups = mk_prep(monomer.padded_mol)
             if len(molsetups) != 1:
                 raise NotImplementedError(f"need 1 molsetup but got {len(molsetups)}")
             molsetup = molsetups[0]
-            self.residues[residue_id].molsetup = molsetup
-            self.residues[residue_id].is_flexres_atom = [
+            self.monomers[residue_id].molsetup = molsetup
+            self.monomers[residue_id].is_flexres_atom = [
                 False for _ in molsetup.atoms
             ]
 
             # set ignore to True for atoms that are padding
             for atom in molsetup.atoms:
-                if atom.index not in residue.molsetup_mapidx:
+                if atom.index not in monomer.molsetup_mapidx:
                     atom.is_ignore = True
 
             # recalculate flexibility tree after setting ignored atoms
@@ -1090,26 +1090,26 @@ def parameterize(self, mk_prep):
             if mk_prep.charge_model == "zero":
                 net_charge = 0
             else:
-                rdkit_mol = self.residues[residue_id].rdkit_mol
+                rdkit_mol = self.monomers[residue_id].rdkit_mol
                 net_charge = sum(
                     [atom.GetFormalCharge() for atom in rdkit_mol.GetAtoms()]
                 )
             not_ignored_idxs = []
             charges = []
             for atom in molsetup.atoms:
-                if atom.index in residue.molsetup_mapidx: # TODO offsite not in mapidx
+                if atom.index in monomer.molsetup_mapidx: # TODO offsite not in mapidx
                     charges.append(atom.charge)
                     not_ignored_idxs.append(atom.index)
             charges = rectify_charges(charges, net_charge, decimals=3)
             chain, resnum = residue_id.split(":")
-            resname = self.residues[residue_id].input_resname
-            if self.residues[residue_id].atom_names is None:
+            resname = self.monomers[residue_id].input_resname
+            if self.monomers[residue_id].atom_names is None:
                 atom_names = ["" for _ in not_ignored_idxs]
             else:
-                atom_names = self.residues[residue_id].atom_names
+                atom_names = self.monomers[residue_id].atom_names
             for i, j in enumerate(not_ignored_idxs):
                 molsetup.atoms[j].charge = charges[i]
-                atom_name = atom_names[residue.molsetup_mapidx[j]]
+                atom_name = atom_names[monomer.molsetup_mapidx[j]]
                 if resnum[-1].isalpha():
                     icode = resnum[-1]
                     resnum = resnum[:-1]
@@ -1191,7 +1191,7 @@ def _get_best_missing_Hs(results):
         return best_idxs, fail_log
 
     @classmethod
-    def _get_residues(
+    def _get_monomers(
         cls,
         raw_input_mols,
         ambiguous,
@@ -1217,7 +1217,7 @@ def _get_residues(
         """
 
         residue_templates = residue_chem_templates.residue_templates
-        residues = {}
+        monomers = {}
         log = {
             "chosen_by_fewest_missing_H": {},
             "chosen_by_default": {},
@@ -1227,7 +1227,7 @@ def _get_residues(
         }
         for residue_key, (raw_mol, input_resname) in raw_input_mols.items():
             if raw_mol is None:
-                residues[residue_key] = ChorizoResidue(
+                monomers[residue_key] = Monomer(
                     None, None, None, input_resname, None
                 )
                 log["no_mol"].append(residue_key)
@@ -1422,7 +1422,7 @@ def _get_residues(
                     H_miss,
                 )
                 atom_names = template.atom_names
-            residues[residue_key] = ChorizoResidue(
+            monomers[residue_key] = Monomer(
                 raw_mol,
                 rdkit_mol,
                 mapping,
@@ -1430,24 +1430,24 @@ def _get_residues(
                 template_key,
                 atom_names,
             )
-            residues[residue_key].template = template
+            monomers[residue_key].template = template
             if template is not None and template.link_labels is not None:
-                mapping_inv = residues[
+                mapping_inv = monomers[
                     residue_key
                 ].mapidx_from_raw  # {j: i for (i, j) in mapping.items()}
                 # TODO check here mapping_inv unnused
                 link_labels = {i: label for i, label in template.link_labels.items()}
-                residues[residue_key].link_labels = link_labels
+                monomers[residue_key].link_labels = link_labels
 
-        return residues, log
+        return monomers, log
 
     @staticmethod
-    def _build_padded_mols(residues, bonds, padders):
+    def _build_padded_mols(monomers, bonds, padders):
         """
 
         Parameters
         ----------
-        residues
+        monomers
         bonds
         padders
 
@@ -1459,15 +1459,15 @@ def _build_padded_mols(residues, bonds, padders):
         bond_use_count = {key: 0 for key in bonds}
         for (
             residue_id,
-            residue,
-        ) in residues.items():
-            if residue.rdkit_mol is None:
+            monomer,
+        ) in monomers.items():
+            if monomer.rdkit_mol is None:
                 continue
-            padded_mol = residue.rdkit_mol
+            padded_mol = monomer.rdkit_mol
             mapidx_pad = {
                 atom.GetIdx(): atom.GetIdx() for atom in padded_mol.GetAtoms()
             }
-            for atom_index, link_label in residue.link_labels.items():
+            for atom_index, link_label in monomer.link_labels.items():
                 adjacent_rid = None
                 adjacent_mol = None
                 adjacent_atom_index = None
@@ -1488,7 +1488,7 @@ def _build_padded_mols(residues, bonds, padders):
                         break
                 
                 if adjacent_rid is not None:
-                    adjacent_mol = residues[adjacent_rid].rdkit_mol
+                    adjacent_mol = monomers[adjacent_rid].rdkit_mol
                     bond_use_count[(r1_id, r2_id)] += 1
                 
                 padded_mol, mapidx = padders[link_label](
@@ -1508,12 +1508,12 @@ def _build_padded_mols(residues, bonds, padders):
             inv = {j: i for (i, j) in mapidx_pad.items()}
             padded_idxs_to_update = []
             no_pad_idxs_to_update = []
-            for atom_index in residue.link_labels:
-                heavy_atom = residue.rdkit_mol.GetAtomWithIdx(atom_index)
+            for atom_index in monomer.link_labels:
+                heavy_atom = monomer.rdkit_mol.GetAtomWithIdx(atom_index)
                 for neighbor in heavy_atom.GetNeighbors():
                     if neighbor.GetAtomicNum() != 1:
                         continue
-                    if neighbor.GetIdx() in residue.mapidx_to_raw:
+                    if neighbor.GetIdx() in monomer.mapidx_to_raw:
                         # index of H exists in mapidx_to_raw, which means that
                         # the raw_input_mol had the hydrogen. Thus, we do not
                         # want to update its coordiantes.
@@ -1522,7 +1522,7 @@ def _build_padded_mols(residues, bonds, padders):
                     padded_idxs_to_update.append(inv[neighbor.GetIdx()])
             update_H_positions(padded_mol, padded_idxs_to_update)
             source = padded_mol.GetConformer()
-            destination = residue.rdkit_mol.GetConformer()
+            destination = monomer.rdkit_mol.GetConformer()
             for i, j in zip(no_pad_idxs_to_update, padded_idxs_to_update):
                 destination.SetAtomPosition(i, source.GetAtomPosition(j))
                 # can invert chirality in 3D positions
@@ -1554,15 +1554,15 @@ def flexibilize_sidechain(self, residue_id, mk_prep):
         -------
 
         """
-        residue = self.residues[residue_id]
-        inv = {j: i for i, j in residue.molsetup_mapidx.items()}
-        link_atoms = [inv[i] for i in residue.template.link_labels]
+        monomer = self.monomers[residue_id]
+        inv = {j: i for i, j in monomer.molsetup_mapidx.items()}
+        link_atoms = [inv[i] for i in monomer.template.link_labels]
         if len(link_atoms) == 0:
             raise RuntimeError(
                 "can't define a sidechain without bonds to other residues"
             )
         # TODO: rewrite this to work better with new MoleculeSetups
-        graph = {atom.index: atom.graph for atom in residue.molsetup.atoms}
+        graph = {atom.index: atom.graph for atom in monomer.molsetup.atoms}
         for i in range(len(link_atoms) - 1):
             start_node = link_atoms[i]
             end_nodes = [k for (j, k) in enumerate(link_atoms) if j != i]
@@ -1571,15 +1571,15 @@ def flexibilize_sidechain(self, residue_id, mk_prep):
                 for x in range(len(path) - 1):
                     idx1 = min(path[x], path[x + 1])
                     idx2 = max(path[x], path[x + 1])
-                    residue.molsetup.bond_info[(idx1, idx2)].rotatable = False
-        residue.is_movable = True
+                    monomer.molsetup.bond_info[(idx1, idx2)].rotatable = False
+        monomer.is_movable = True
 
         mk_prep.calc_flex(
-            residue.molsetup,
+            monomer.molsetup,
             root_atom_index=link_atoms[0],
         )
 
-        molsetup = residue.molsetup
+        molsetup = monomer.molsetup
         is_rigid_atom = [False for _ in molsetup.atoms]
         graph = molsetup.flexibility_model["rigid_body_graph"]
         root_body_idx = molsetup.flexibility_model["root"]
@@ -1590,32 +1590,9 @@ def flexibilize_sidechain(self, residue_id, mk_prep):
             root_link_atom_idx = conn[(root_body_idx, other_body_idx)][0]
             for atom_idx, body_idx in rigid_index_by_atom.items():
                 if body_idx != root_body_idx or atom_idx == root_link_atom_idx:
-                    residue.is_flexres_atom[atom_idx] = True
+                    monomer.is_flexres_atom[atom_idx] = True
         return
 
-    @staticmethod
-    def print_residues_by_resname(removed_residues):
-        """
-
-        Parameters
-        ----------
-        removed_residues
-
-        Returns
-        -------
-
-        """
-        by_resname = dict()
-        for res_id in removed_residues:
-            chain, resn, resi = res_id.split(":")
-            by_resname.setdefault(resn, [])
-            by_resname[resn].append(f"{chain}:{resi}")
-        string = ""
-        for resname, removed_res in by_resname.items():
-            string += f"Resname: {resname}:" + pathlib.os.linesep
-            string += " ".join(removed_res) + pathlib.os.linesep
-        return string
-
     @staticmethod
     def _pdb_to_residue_mols(
         pdb_string,
@@ -1784,26 +1761,26 @@ def to_pdb(self, new_positions: Optional[dict]=None):
 
         if new_positions is None:
             new_positions = {}
-        valid_residues = self.get_valid_residues()
+        valid_monomers = self.get_valid_monomers()
 
         # check that residue IDs passed in new_positions are valid
         unknown_res_ids = set()
         for res_id in new_positions:
-            if res_id not in valid_residues:
+            if res_id not in valid_monomers:
                 unknown_res_ids.add(res_id)
         if unknown_res_ids:
-            msg = f"Residue IDs not in valid residues: {unknown_res_ids}"
+            msg = f"Residue IDs not in valid monomers: {unknown_res_ids}"
             raise ValueError(msg)
 
         pdbout = ""
         atom_count = 0
         pdb_line = "{:6s}{:5d} {:^4s} {:3s} {:1s}{:4d}{:1s}   {:8.3f}{:8.3f}{:8.3f}                       {:2s} "
         pdb_line += pathlib.os.linesep
-        for res_id in self.get_valid_residues():
-            rdkit_mol = self.residues[res_id].rdkit_mol
+        for res_id in self.get_valid_monomers():
+            rdkit_mol = self.monomers[res_id].rdkit_mol
             if res_id in new_positions:
                 positions = get_updated_positions(
-                    self.residues[res_id],
+                    self.monomers[res_id],
                     new_positions[res_id],
                 )
             else:
@@ -1820,14 +1797,14 @@ def to_pdb(self, new_positions: Optional[dict]=None):
             for i, atom in enumerate(rdkit_mol.GetAtoms()):
                 atom_count += 1
                 props = atom.GetPropsAsDict()
-                atom_name = self.residues[res_id].atom_names[i]
+                atom_name = self.monomers[res_id].atom_names[i]
                 x, y, z = positions[i]
                 element = mini_periodic_table[atom.GetAtomicNum()]
                 pdbout += pdb_line.format(
                     "ATOM",
                     atom_count,
                     atom_name,
-                    self.residues[res_id].input_resname,
+                    self.monomers[res_id].input_resname,
                     chain,
                     resnum,
                     icode,
@@ -1853,11 +1830,11 @@ def export_static_atom_params(self):
             "charge",
             "atom_type",
         )  # molsetup has a dedicated attribute
-        for res_id in self.get_valid_residues():
-            molsetup = self.residues[res_id].molsetup
+        for res_id in self.get_valid_monomers():
+            molsetup = self.monomers[res_id].molsetup
             wanted_atom_indices = []
             for atom in molsetup.atoms:
-                if not atom.is_ignore and not self.residues[res_id].is_flexres_atom[atom.index]:
+                if not atom.is_ignore and not self.monomers[res_id].is_flexres_atom[atom.index]:
                     wanted_atom_indices.append(atom.index)
                     coords.append(molsetup.get_coord(atom.index))
             for key, values in molsetup.atom_params.items():
@@ -1888,24 +1865,23 @@ def export_static_atom_params(self):
                 atom_params[new_key] = atom_params.pop(key)
         return atom_params, coords
 
-    # The following functions return filtered dictionaries of residues based on the value of residue flags.
     # region Filtering Residues
-    def get_ignored_residues(self):
-        return {k: v for k, v in self.residues.items() if v.rdkit_mol is None}
+    def get_ignored_monomers(self):
+        return {k: v for k, v in self.monomers.items() if v.rdkit_mol is None}
 
-    def get_valid_residues(self):
-        return {k: v for k, v in self.residues.items() if v.rdkit_mol is not None}
+    def get_valid_monomers(self):
+        return {k: v for k, v in self.monomers.items() if v.rdkit_mol is not None}
 
     # endregion
 
 
-def add_rotamers_to_chorizo_molsetups(rotamer_states_list, chorizo):
+def add_rotamers_to_polymer_molsetups(rotamer_states_list, polymer):
     """
 
     Parameters
     ----------
     rotamer_states_list
-    chorizo
+    polymer
 
     Returns
     -------
@@ -1915,12 +1891,12 @@ def add_rotamers_to_chorizo_molsetups(rotamer_states_list, chorizo):
     for (
         primary_res,
         specific_res_list,
-    ) in chorizo.residue_chem_templates.ambiguous.items():
+    ) in polymer.residue_chem_templates.ambiguous.items():
         for specific_res in specific_res_list:
             rotamer_res_disambiguate[specific_res] = primary_res
 
     no_resname_to_resname = {}
-    for res_with_resname in chorizo.residues:
+    for res_with_resname in polymer.monomers:
         chain, resname, resnum = res_with_resname.split(":")
         no_resname_key = f"{chain}:{resnum}"
         if no_resname_key in no_resname_to_resname:
@@ -1938,14 +1914,14 @@ def add_rotamers_to_chorizo_molsetups(rotamer_states_list, chorizo):
         state_indices = {}
         for res_no_resname, angles in state_dict.items():
             res_with_resname = no_resname_to_resname[res_no_resname]
-            if chorizo.residues[res_with_resname].molsetup is None:
+            if polymer.monomers[res_with_resname].molsetup is None:
                 raise RuntimeError(
                     "no molsetup for %s, can't add rotamers" % (res_with_resname)
                 )
             # next block is inefficient for large rotamer_states_list
-            # refactored chorizos could help by having the following
+            # refactored polymers could help by having the following
             # data readily available
-            molsetup = chorizo.residues[res_with_resname].molsetup
+            molsetup = polymer.monomers[res_with_resname].molsetup
             name_to_molsetup_idx = {}
             for atom in molsetup.atoms:
                 atom_name = atom.pdbinfo.name
@@ -1973,8 +1949,8 @@ def add_rotamers_to_chorizo_molsetups(rotamer_states_list, chorizo):
     return state_indices_list
 
 
-class ChorizoResidue:
-    """Individual subunit of a polymer represented by LinkedRDKitChorizo.
+class Monomer:
+    """Individual subunit in a Polymer. Often called residue.
 
     Attributes
     ----------
@@ -2072,7 +2048,7 @@ def to_json(self):
         -------
 
         """
-        return json.dumps(self, cls=ChorizoResidueEncoder)
+        return json.dumps(self, cls=MonomerEncoder)
 
     @classmethod
     def from_json(cls, json_string):
@@ -2086,8 +2062,8 @@ def from_json(cls, json_string):
         -------
 
         """
-        residue = json.loads(json_string, object_hook=cls.chorizo_residue_json_decoder)
-        return residue
+        monomer = json.loads(json_string, object_hook=cls.monomer_json_decoder)
+        return monomer
 
 class NoAtomMapWarning(logging.Filter):
     def filter(self, record):
@@ -2127,7 +2103,7 @@ def __init__(self, rxn_smarts: str, adjacent_res_smarts: str = None, auto_blunt:
         Parameters
         ----------
         rxn_smarts: str
-            Reaction SMARTS to pad a link atom of a ChorizoResidue molecule.
+            Reaction SMARTS to pad a link atom of a Monomer molecule.
             Product atoms that are not mapped in the reactants will have
             their coordinates set from an adjacent residue molecule, given
             that adjacent_res_smarts is provided and the atom labels match
@@ -2138,7 +2114,7 @@ def __init__(self, rxn_smarts: str, adjacent_res_smarts: str = None, auto_blunt:
             must match those of the product atoms of rxn_smarts that are
             unmapped in the reagents.
         auto_blunt: bool
-            missing bonds of ChorizoResidues will automatically be blunt if
+            missing bonds of Monomers will automatically be blunt if
             this parameter is true, and raise an error otherwise
         """
 
@@ -2417,7 +2393,7 @@ def remove_atoms_with_mapping(product: Chem.Mol, mapping_numbers: set) -> Chem.M
 
 class ResidueTemplate:
     """
-    Data and methods to pad rdkit molecules of chorizo residues with parts of adjacent residues.
+    Data and methods to pad rdkit molecules of polymer residues with parts of adjacent residues.
 
     Attributes
     ----------
@@ -2497,29 +2473,29 @@ def rdkit_or_none_to_json(rdkit_mol):
 
 
 # region JSON Encoders
-class ChorizoResidueEncoder(json.JSONEncoder):
+class MonomerEncoder(json.JSONEncoder):
     """
-    JSON Encoder class for Chorizo Residue objects.
+    JSON Encoder class for Monomer objects.
     """
 
     molecule_setup_encoder = MoleculeSetupEncoder()
 
     def default(self, obj):
         """
-        Overrides the default JSON encoder for data structures for ChorizoResidue objects.
+        Overrides the default JSON encoder for data structures for Monomer objects.
 
         Parameters
         ----------
         obj: object
-            Can take any object as input, but will only create the ChorizoResidue JSON format for ChorizoResidue objects.
+            Can take any object as input, but will only create the Monomer JSON format for Monomer objects.
             For all other objects will return the default json encoding.
 
         Returns
         -------
-        A JSON serializable object that represents the ChorizoResidue class or the default JSONEncoder output for an
+        A JSON serializable object that represents the Monomer class or the default JSONEncoder output for an
         object.
         """
-        if isinstance(obj, ChorizoResidue):
+        if isinstance(obj, Monomer):
             if obj.molsetup is None:
                 molsetup_json = None
             else:
@@ -2647,37 +2623,37 @@ def default(self, obj):
         return json.JSONEncoder.default(self, obj)
 
 
-class LinkedRDKitChorizoEncoder(json.JSONEncoder):
+class PolymerEncoder(json.JSONEncoder):
     """
-    JSON Encoder class for LinkedRDKitChorizo objects.
+    JSON Encoder class for Polymer objects.
     """
 
     residue_chem_templates_encoder = ResidueChemTemplatesEncoder()
-    chorizo_residue_encoder = ChorizoResidueEncoder()
+    monomer_encoder = MonomerEncoder()
 
     def default(self, obj):
         """
-        Overrides the default JSON encoder for data structures for LinkedRDKitChorizo objects.
+        Overrides the default JSON encoder for data structures for Polymer objects.
 
         Parameters
         ----------
         obj: object
-            Can take any object as input, but will only create the LinkedRDKitChorizo JSON format for LinkedRDKitChorizo
+            Can take any object as input, but will only create the Polymer JSON format for Polymer
             objects. For all other objects will return the default json encoding.
 
         Returns
         -------
-        A JSON serializable object that represents the LinkedRDKitChorizo class or the default JSONEncoder output for an
+        A JSON serializable object that represents the Polymer class or the default JSONEncoder output for an
         object.
         """
-        if isinstance(obj, LinkedRDKitChorizo):
+        if isinstance(obj, Polymer):
             output_dict = {
                 "residue_chem_templates": self.residue_chem_templates_encoder.default(
                     obj.residue_chem_templates
                 ),
-                "residues": {
-                    k: self.chorizo_residue_encoder.default(v)
-                    for k, v in obj.residues.items()
+                "monomers": {
+                    k: self.monomer_encoder.default(v)
+                    for k, v in obj.monomers.items()
                 },
                 "log": obj.log,
             }
@@ -2690,19 +2666,19 @@ def default(self, obj):
 # region JSON Decoders
 
 
-def chorizo_residue_json_decoder(obj: dict):
+def monomer_json_decoder(obj: dict):
     """
-    Takes an object and attempts to decode it into a ChorizoResidue object.
+    Takes an object and attempts to decode it into a Monomer object.
 
     Parameters
     ----------
     obj: Object
-        This can be any object, but it should be a dictionary generated by deserializing a JSON of a ChorizoResidue
+        This can be any object, but it should be a dictionary generated by deserializing a JSON of a Monomer
         object.
 
     Returns
     -------
-    If the input is a dictionary corresponding to a ChorizoResidue, will return a ChorizoResidue with data
+    If the input is a dictionary corresponding to a Monomer, will return a Monomer with data
     populated from the dictionary. Otherwise, returns the input object.
 
     """
@@ -2712,7 +2688,7 @@ def chorizo_residue_json_decoder(obj: dict):
         return obj
 
     # check that all the keys we expect are in the object dictionary as a safety measure
-    expected_residue_keys = {
+    expected_monomer_keys = {
         "raw_rdkit_mol",
         "rdkit_mol",
         "mapidx_to_raw",
@@ -2727,9 +2703,9 @@ def chorizo_residue_json_decoder(obj: dict):
         "molsetup_mapidx",
     }
 
-    if set(obj.keys()) != expected_residue_keys:
+    if set(obj.keys()) != expected_monomer_keys:
         return obj
-    # Extracts init mols for ChorizoResidue:
+    # Extracts init mols for Monomer:
     raw_rdkit_mol = rdkit_mol_from_json(obj["raw_rdkit_mol"])
     rdkit_mol = rdkit_mol_from_json(obj["rdkit_mol"])
     if obj["mapidx_to_raw"] is None:
@@ -2737,30 +2713,30 @@ def chorizo_residue_json_decoder(obj: dict):
     else:
         mapidx_to_raw = {int(k): v for k, v in obj["mapidx_to_raw"].items()}
 
-    residue = ChorizoResidue(raw_rdkit_mol, rdkit_mol, mapidx_to_raw)
+    monomer = Monomer(raw_rdkit_mol, rdkit_mol, mapidx_to_raw)
 
     # sets remaining properties from JSON
-    residue.residue_template_key = obj["residue_template_key"]
-    residue.input_resname = obj["input_resname"]
-    residue.atom_names = obj["atom_names"]
+    monomer.residue_template_key = obj["residue_template_key"]
+    monomer.input_resname = obj["input_resname"]
+    monomer.atom_names = obj["atom_names"]
 
     if obj["mapidx_from_raw"] is None:
-        residue.mapidx_from_raw = None
+        monomer.mapidx_from_raw = None
     else:
-        residue.mapidx_from_raw = {int(k): v for k, v in obj["mapidx_from_raw"].items()}
+        monomer.mapidx_from_raw = {int(k): v for k, v in obj["mapidx_from_raw"].items()}
 
-    residue.padded_mol = rdkit_mol_from_json(obj["padded_mol"])
-    residue.molsetup = RDKitMoleculeSetup.from_json(obj["molsetup"])
+    monomer.padded_mol = rdkit_mol_from_json(obj["padded_mol"])
+    monomer.molsetup = RDKitMoleculeSetup.from_json(obj["molsetup"])
     if obj["molsetup_mapidx"] is None:
-        residue.molsetup_mapidx = None
+        monomer.molsetup_mapidx = None
     else:
-        residue.molsetup_mapidx = {int(k): v for k, v in obj["molsetup_mapidx"].items()}
+        monomer.molsetup_mapidx = {int(k): v for k, v in obj["molsetup_mapidx"].items()}
 
     # boolean values
-    residue.is_flexres_atom = obj["is_flexres_atom"]
-    residue.is_movable = obj["is_movable"]
+    monomer.is_flexres_atom = obj["is_flexres_atom"]
+    monomer.is_movable = obj["is_movable"]
 
-    return residue
+    return monomer
 
 
 def residue_template_json_decoder(obj: dict):
@@ -2879,19 +2855,19 @@ def residue_chem_templates_json_decoder(obj: dict):
     return residue_chem_templates
 
 
-def linked_rdkit_chorizo_json_decoder(obj: dict):
+def polymer_json_decoder(obj: dict):
     """
-    Takes an object and attempts to deserialize it into a LinkedRDKitChorizo object.
+    Takes an object and attempts to deserialize it into a Polymer object.
 
     Parameters
     ----------
     obj: Object
         This can be any object, but it should be a dictionary constructed by deserializing the JSON representation of a
-        LinkedRDKitChorizo object.
+        Polymer object.
 
     Returns
     -------
-    If the input is a dictionary corresponding to a LinkedRDKitChorizo, will return a LinkedRDKitChorizo with data
+    If the input is a dictionary corresponding to a Polymer, will return a Polymer with data
     populated from the dictionary. Otherwise, returns the input object.
     """
     # if the input object is not a dict, we know that it will not be parsable and is unlikely to be usable or
@@ -2902,23 +2878,23 @@ def linked_rdkit_chorizo_json_decoder(obj: dict):
     # Check that all the keys we expect are in the object dictionary as a safety measure
     expected_json_keys = {
         "residue_chem_templates",
-        "residues",
+        "monomers",
         "log",
     }
     if set(obj.keys()) != expected_json_keys:
         return obj
 
-    # Deserializes ResidueChemTemplates from the dict to use as an input, then constructs a LinkedRDKit Chorizo object
+    # Deserializes ResidueChemTemplates from the dict to use as an input, then constructs a Polymer object
     # and sets its values using deserialized JSON values.
     residue_chem_templates = residue_chem_templates_json_decoder(
         obj["residue_chem_templates"]
     )
 
-    linked_rdkit_chorizo = LinkedRDKitChorizo({}, {}, residue_chem_templates)
-    linked_rdkit_chorizo.residues = {
-        k: chorizo_residue_json_decoder(v) for k, v in obj["residues"].items()
+    polymer = Polymer({}, {}, residue_chem_templates)
+    polymer.monomers = {
+        k: monomer_json_decoder(v) for k, v in obj["monomers"].items()
     }
-    linked_rdkit_chorizo.log = obj["log"]
+    polymer.log = obj["log"]
 
-    return linked_rdkit_chorizo
+    return polymer
 # endregion
diff --git a/meeko/reactive.py b/meeko/reactive.py
index 1ab47e3b..7e281a7d 100644
--- a/meeko/reactive.py
+++ b/meeko/reactive.py
@@ -114,9 +114,9 @@ def get_basetype_and_order(self, atype):
 get_reactive_atype = reactive_typer.get_reactive_atype
 
 
-def atom_name_to_molsetup_index(chorizo_residue, atom_name):
+def atom_name_to_molsetup_index(monomer, atom_name):
     indices = []
-    for atom in chorizo_residue.raw_rdkit_mol.GetAtoms():
+    for atom in monomer.raw_rdkit_mol.GetAtoms():
         name = atom.GetPDBResidueInfo().GetName().strip()
         if name == atom_name:
             indices.append(atom.GetIdx())
@@ -125,8 +125,8 @@ def atom_name_to_molsetup_index(chorizo_residue, atom_name):
     if len(indices) == 0:
         return None
     index = indices[0]
-    index = chorizo_residue.mapidx_from_raw[index]
-    inv = {j: i for i, j in chorizo_residue.molsetup_mapidx.items()}
+    index = monomer.mapidx_from_raw[index]
+    inv = {j: i for i, j in monomer.molsetup_mapidx.items()}
     index = inv[index]
     return index
 
diff --git a/meeko/writer.py b/meeko/writer.py
index 61a7af0d..a8e139ad 100644
--- a/meeko/writer.py
+++ b/meeko/writer.py
@@ -496,9 +496,9 @@ def _is_molsetup_ok(setup, bad_charge_ok):
         return success, error_msg
 
     @classmethod
-    def write_string_from_linked_rdkit_chorizo(cls, chorizo):
-        rigid_pdbqt_string, flex_pdbqt_dict = cls.write_from_linked_rdkit_chorizo(
-            chorizo
+    def write_string_from_polymer(cls, polymer):
+        rigid_pdbqt_string, flex_pdbqt_dict = cls.write_from_polymer(
+            polymer
         )
         flex_pdbqt_string = ""
         for res_id, pdbqt_string in flex_pdbqt_dict.items():
@@ -506,12 +506,12 @@ def write_string_from_linked_rdkit_chorizo(cls, chorizo):
         return rigid_pdbqt_string, flex_pdbqt_string
 
     @classmethod
-    def write_from_linked_rdkit_chorizo(cls, chorizo):
+    def write_from_polymer(cls, polymer):
         rigid_pdbqt_string = ""
         flex_pdbqt_dict = {}
         atom_count = 0
         flex_atom_count = 0
-        for res_id, residue in chorizo.get_valid_residues().items():
+        for res_id, monomer in polymer.get_valid_monomers().items():
             chain, resnum = res_id.split(":")
             if resnum[-1].isalpha():
                 icode = resnum[-1]
@@ -519,9 +519,9 @@ def write_from_linked_rdkit_chorizo(cls, chorizo):
             else:
                 icode = ""
                 resnum = int(resnum)
-            molsetup = residue.molsetup
-            resname = residue.input_resname
-            if residue.is_movable:
+            molsetup = monomer.molsetup
+            resname = monomer.input_resname
+            if monomer.is_movable:
                 original_ignore = {atom.index: atom.is_ignore for atom in molsetup.atoms}
                 graph = molsetup.flexibility_model["rigid_body_graph"]
                 root = molsetup.flexibility_model["root"]
@@ -532,7 +532,7 @@ def write_from_linked_rdkit_chorizo(cls, chorizo):
                     )
                 # set ignore to True for static atoms of flexible sidechains
                 # to exclude them from the PDBQT string
-                for atom_idx, is_flex in enumerate(residue.is_flexres_atom):
+                for atom_idx, is_flex in enumerate(monomer.is_flexres_atom):
                         molsetup.atoms[atom_idx].is_ignore = not is_flex
                 this_flex_pdbqt, ok, err = PDBQTWriterLegacy.write_string(
                     molsetup, remove_smiles=True, add_index_map=True
@@ -554,7 +554,7 @@ def write_from_linked_rdkit_chorizo(cls, chorizo):
                 flex_pdbqt_dict[res_id] = this_flex_pdbqt
 
             for atom_idx, atom in enumerate(molsetup.atoms):
-                if atom.is_ignore or residue.is_flexres_atom[atom_idx]:
+                if atom.is_ignore or monomer.is_flexres_atom[atom_idx]:
                     continue
                 atom_type = atom.atom_type
                 coord = atom.coord
diff --git a/scripts/mk_export.py b/scripts/mk_export.py
index 5a897931..980e0992 100755
--- a/scripts/mk_export.py
+++ b/scripts/mk_export.py
@@ -15,7 +15,7 @@
 
 from meeko import PDBQTMolecule
 from meeko import RDKitMolCreate
-from meeko import LinkedRDKitChorizo
+from meeko import Polymer
 from meeko import export_pdb_updated_flexres
 from meeko.utils.utils import parse_begin_res
 
@@ -75,7 +75,7 @@ def cmd_lineparser():
 if read_json is not None:
     with open(read_json) as f:
         json_string = f.read()
-    polymer = LinkedRDKitChorizo.from_json(json_string)
+    polymer = Polymer.from_json(json_string)
 else:
     polymer = None
     if write_pdb is not None:
@@ -151,4 +151,4 @@ def cmd_lineparser():
         else:
             fn = write_pdb
         with open(fn, "w") as f:
-            f.write(pdb_string)
\ No newline at end of file
+            f.write(pdb_string)
diff --git a/scripts/mk_prepare_receptor.py b/scripts/mk_prepare_receptor.py
index af9cde5e..7ea3dc78 100755
--- a/scripts/mk_prepare_receptor.py
+++ b/scripts/mk_prepare_receptor.py
@@ -16,9 +16,9 @@
 from meeko import MoleculeSetup
 from meeko import ResidueChemTemplates
 from meeko import PDBQTWriterLegacy
-from meeko import LinkedRDKitChorizo
-from meeko import LinkedRDKitChorizoEncoder
-from meeko import ChorizoCreationError
+from meeko import Polymer
+from meeko import PolymerEncoder
+from meeko import PolymerCreationError
 from meeko import reactive_typer
 from meeko import get_reactive_config
 from meeko import gridbox
@@ -497,7 +497,7 @@ def get_args():
         sys.exit(2)
 templates = ResidueChemTemplates.from_dict(res_chem_templates)
 
-# create chorizos
+# create polymers
 if args.read_with_prody is not None:
     if not _got_prody:
         print(_prody_import_error, file=sys.stderr)
@@ -509,7 +509,7 @@ def get_args():
         parser = SUPPORTED_PRODY_FORMATS[ext]
         input_obj = parser(args.read_with_prody, altloc="all")
         try:
-            chorizo = LinkedRDKitChorizo.from_prody(
+            polymer = Polymer.from_prody(
                 input_obj,
                 templates,
                 mk_prep,
@@ -520,14 +520,14 @@ def get_args():
                 wanted_altloc=wanted_altloc,
                 default_altloc=args.default_altloc,
             )
-        except ChorizoCreationError as e:
+        except PolymerCreationError as e:
             print(e)
             sys.exit(1)
 else:
     with open(args.read_pdb) as f:
         pdb_string = f.read()
     try:
-        chorizo = LinkedRDKitChorizo.from_pdb_string(
+        polymer = Polymer.from_pdb_string(
             pdb_string,
             templates,  # residue_templates, padders, ambiguous,
             mk_prep,
@@ -538,7 +538,7 @@ def get_args():
             wanted_altloc=wanted_altloc,
             default_altloc=args.default_altloc,
         )
-    except ChorizoCreationError as e:
+    except PolymerCreationError as e:
         print(e)
         sys.exit(1)
 
@@ -546,12 +546,12 @@ def get_args():
 # Use residue name in the input structure file to find reactive atom name
 # According to the mapping of residue name and reactive atom name
 for res_id in reactive_flexres:
-    if res_id not in chorizo.residues:
+    if res_id not in polymer.monomers:
         print("resid %s not found in input receptor file" % res_id)
         sys.exit(2)
     res_atom = reactive_flexres_name[res_id]
     if not res_atom:
-        input_resname = chorizo.residues[res_id].input_resname
+        input_resname = polymer.monomers[res_id].input_resname
         if input_resname in reactive_atom:
             reactive_flexres_name[res_id] = reactive_atom[input_resname]
         else:
@@ -584,20 +584,20 @@ def get_args():
     # get reactive atom types
     reactive_aname = reactive_flexres_name[res_id]
     reactive_atomi = atom_name_to_molsetup_index(
-        chorizo.residues[res_id], reactive_aname
+        polymer.monomers[res_id], reactive_aname
     )
     if reactive_atomi is None:
         print(f"cannot find reactive atom name {reactive_aname} from residue {res_id} in input receptor file")
         sys.exit(2)
-    reactive_atypes = assign_reactive_types_by_index(chorizo.residues[res_id].molsetup, reactive_atomi)
+    reactive_atypes = assign_reactive_types_by_index(polymer.monomers[res_id].molsetup, reactive_atomi)
     # set reactive atom types
-    nr_atom = len(chorizo.residues[res_id].molsetup.atoms)
+    nr_atom = len(polymer.monomers[res_id].molsetup.atoms)
     for atom_index in range(nr_atom):
         if (
-            chorizo.residues[res_id].molsetup.atoms[atom_index].atom_type
+            polymer.monomers[res_id].molsetup.atoms[atom_index].atom_type
             != reactive_atypes[atom_index]
         ):
-            chorizo.residues[res_id].molsetup.atoms[
+            polymer.monomers[res_id].molsetup.atoms[
                 atom_index
             ].atom_type = f"{reactive_prefix}{reactive_atypes[atom_index]}"
     reactive_prefix += 1
@@ -606,7 +606,7 @@ def get_args():
 all_flexres = nonreactive_flexres.union(reactive_flexres)
 
 for res_id in all_flexres:
-    chorizo.flexibilize_sidechain(res_id, mk_prep)
+    polymer.flexibilize_sidechain(res_id, mk_prep)
 
 
 any_lig_base_types = [
@@ -640,14 +640,14 @@ def get_args():
     else:  # args.write_json is empty list (was used without arg)
         fn = str(outpath) + ".json"
     with open(fn, "w") as f:
-        json.dump(chorizo, f, cls=LinkedRDKitChorizoEncoder)
+        json.dump(polymer, f, cls=PolymerEncoder)
     written_files_log["filename"].append(fn)
     written_files_log["description"].append("parameterized receptor")
 
 if args.write_pdb is not None:
     fn = args.write_pdb[0]
     with open(fn, "w") as f:
-        f.write(chorizo.to_pdb())
+        f.write(polymer.to_pdb())
     written_files_log["filename"].append(fn)
     written_files_log["description"].append("receptor")
 
@@ -661,7 +661,7 @@ def get_args():
     else:
         fn_base = str(outpath)
 
-    pdbqt_tuple = PDBQTWriterLegacy.write_from_linked_rdkit_chorizo(chorizo)
+    pdbqt_tuple = PDBQTWriterLegacy.write_from_polymer(polymer)
     rigid_pdbqt, flex_pdbqt_dict = pdbqt_tuple
 
     if len(all_flexres) == 0:
@@ -688,8 +688,8 @@ def get_args():
     with open(rigid_fn, "w") as f:
         f.write(rigid_pdbqt)
 
-def warn_flexres_outside_box(chorizo, box_center, box_size):
-    for res_id, res in chorizo.residues.items():
+def warn_flexres_outside_box(polymer, box_center, box_size):
+    for res_id, res in polymer.monomers.items():
         if not res.is_movable:
             continue
         for atom in res.molsetup.atoms:
@@ -717,7 +717,7 @@ def warn_flexres_outside_box(chorizo, box_center, box_size):
         # to be 5 Angstromg away from CB along the CA->CB vector
         box_centers = []
         for res_id in reactive_flexres:
-            molsetup = chorizo.residues[res_id].molsetup
+            molsetup = polymer.monomers[res_id].molsetup
             calpha_idx = [
                 atom.index for atom in molsetup.atoms if atom.pdbinfo.name == "CA"
             ]
@@ -856,7 +856,7 @@ def warn_flexres_outside_box(chorizo, box_center, box_size):
         with open(box_fn, "w") as f:
             f.write(gridbox.box_to_pdb_string(box_center, box_size, spacing=1.0))
 
-    warn_flexres_outside_box(chorizo, box_center, box_size)
+    warn_flexres_outside_box(polymer, box_center, box_size)
 
 
 # configuration info for AutoDock-GPU reactive docking
diff --git a/test/flexres_export_test.py b/test/flexres_export_test.py
index 7214dfd2..938c0781 100644
--- a/test/flexres_export_test.py
+++ b/test/flexres_export_test.py
@@ -1,7 +1,7 @@
 import json
 import pathlib
 from meeko import utils
-from meeko import LinkedRDKitChorizo
+from meeko import Polymer
 from meeko import MoleculePreparation
 from meeko import ResidueChemTemplates
 from meeko import PDBQTMolecule
@@ -9,9 +9,9 @@
 import meeko
 
 pkgdir = pathlib.Path(meeko.__file__).parents[1]
-just_three_residues = pkgdir / "test/linked_rdkit_chorizo_data/just-three-residues.pdb"
-j3r_docked = pkgdir / "test/linked_rdkit_chorizo_data/just-three-residues_vina_flexres.pdbqt"
-j3r_idx_docked = pkgdir / "test/linked_rdkit_chorizo_data/just-three-residues_vina_flexres_idxmap.pdbqt"
+just_three_residues = pkgdir / "test/polymer_data/just-three-residues.pdb"
+j3r_docked = pkgdir / "test/polymer_data/just-three-residues_vina_flexres.pdbqt"
+j3r_idx_docked = pkgdir / "test/polymer_data/just-three-residues_vina_flexres_idxmap.pdbqt"
 
 meekodir = pathlib.Path(meeko.__file__).parents[0]
 
@@ -49,55 +49,55 @@ def get_x_from_pdb_str(pdbstr, wanted_chain, wanted_resnum, wanted_name):
 def test_export_sidechains_no_idxmap():
     with open(just_three_residues) as f:
         pdb_string = f.read()
-    chorizo = LinkedRDKitChorizo.from_pdb_string(
+    polymer = Polymer.from_pdb_string(
         pdb_string,
         chem_templates,
         mk_prep,
     )
     # docking had these two flexible
-    chorizo.flexibilize_sidechain(":15", mk_prep)
-    chorizo.flexibilize_sidechain(":16", mk_prep)
+    polymer.flexibilize_sidechain(":15", mk_prep)
+    polymer.flexibilize_sidechain(":16", mk_prep)
     
     with open(j3r_docked) as f:
         docked_pdbqt_string = f.read()
     pdbqt_mol = PDBQTMolecule(docked_pdbqt_string, skip_typing=True)
     pdbqt_mol._current_pose = 0
-    pdb_string = export_pdb_updated_flexres(chorizo, pdbqt_mol)
+    pdb_string = export_pdb_updated_flexres(polymer, pdbqt_mol)
     x = get_x_from_pdb_str(pdb_string, "", 15, "SD")
     assert abs(x - 10.529) < 0.0001
     pdbqt_mol._current_pose = 1
-    pdb_string = export_pdb_updated_flexres(chorizo, pdbqt_mol)
+    pdb_string = export_pdb_updated_flexres(polymer, pdbqt_mol)
     x = get_x_from_pdb_str(pdb_string, "", 16, "HG")
     assert abs(x - 18.724) < 0.0001
 
-    # rebuilding chorizo can fail if structure is mangled
-    chorizo = LinkedRDKitChorizo.from_pdb_string(
+    # rebuilding polymer can fail if structure is mangled
+    polymer = Polymer.from_pdb_string(
         pdb_string,
         chem_templates,
         mk_prep,
     )
-    chorizo.flexibilize_sidechain(":15", mk_prep)
-    chorizo.flexibilize_sidechain(":16", mk_prep)
-    assert len(chorizo.get_valid_residues()) == 3
+    polymer.flexibilize_sidechain(":15", mk_prep)
+    polymer.flexibilize_sidechain(":16", mk_prep)
+    assert len(polymer.get_valid_monomers()) == 3
 
     # with INDEX MAP in flexres PDBQT
     with open(j3r_idx_docked) as f:
         docked_pdbqt_string = f.read()
     pdbqt_mol = PDBQTMolecule(docked_pdbqt_string, skip_typing=True)
     pdbqt_mol._current_pose = 0
-    pdb_string = export_pdb_updated_flexres(chorizo, pdbqt_mol)
+    pdb_string = export_pdb_updated_flexres(polymer, pdbqt_mol)
     x = get_x_from_pdb_str(pdb_string, "", 15, "SD")
     assert abs(x - 10.577) < 0.0001
     pdbqt_mol._current_pose = 1
-    pdb_string = export_pdb_updated_flexres(chorizo, pdbqt_mol)
+    pdb_string = export_pdb_updated_flexres(polymer, pdbqt_mol)
     x = get_x_from_pdb_str(pdb_string, "", 16, "HG")
     assert abs(x - 18.690) < 0.0001
 
-    # rebuilding chorizo can fail if structure is mangled
-    chorizo = LinkedRDKitChorizo.from_pdb_string(
+    # rebuilding polymer can fail if structure is mangled
+    polymer = Polymer.from_pdb_string(
         pdb_string,
         chem_templates,
         mk_prep,
     )
-    chorizo.flexibilize_sidechain(":16", mk_prep)
-    assert len(chorizo.get_valid_residues()) == 3
+    polymer.flexibilize_sidechain(":16", mk_prep)
+    assert len(polymer.get_valid_monomers()) == 3
diff --git a/test/json_serialization_test.py b/test/json_serialization_test.py
index b78ccf29..b48674f1 100644
--- a/test/json_serialization_test.py
+++ b/test/json_serialization_test.py
@@ -6,10 +6,10 @@
 import pytest
 
 from meeko import (
-    ChorizoResidue,
-    ChorizoResidueEncoder,
-    LinkedRDKitChorizo,
-    LinkedRDKitChorizoEncoder,
+    Monomer,
+    MonomerEncoder,
+    Polymer,
+    PolymerEncoder,
     MoleculePreparation,
     MoleculeSetup,
     MoleculeSetupEncoder,
@@ -23,7 +23,7 @@
     PDBQTWriterLegacy,
 )
 
-from meeko import linked_rdkit_chorizo
+from meeko import polymer
 from meeko.molsetup import Atom, Bond, Ring, RingClosureInfo, Restraint
 
 from rdkit import Chem
@@ -37,12 +37,12 @@
 meekodir = pathlib.Path(meeko.__file__).parents[0]
 
 # Test Data
-ahhy_example = pkgdir / "test/linked_rdkit_chorizo_data/AHHY.pdb"
+ahhy_example = pkgdir / "test/polymer_data/AHHY.pdb"
 just_one_ALA_missing = (
-    pkgdir / "test/linked_rdkit_chorizo_data/just-one-ALA-missing-CB.pdb"
+    pkgdir / "test/polymer_data/just-one-ALA-missing-CB.pdb"
 )
 
-# Chorizo creation data
+# Polymer creation data
 with open(meekodir / "data" / "residue_chem_templates.json") as f:
     t = json.load(f)
 chem_templates = ResidueChemTemplates.from_dict(t)
@@ -51,45 +51,45 @@
 
 # region Fixtures
 @pytest.fixture
-def populated_rdkit_chorizo():
+def populated_polymer():
     file = open(ahhy_example)
     pdb_str = file.read()
-    chorizo = LinkedRDKitChorizo.from_pdb_string(
+    polymer = Polymer.from_pdb_string(
         pdb_str, chem_templates, mk_prep, blunt_ends=[("A:1", 0)]
     )
-    return chorizo
+    return polymer
 
 
 @pytest.fixture
-def populated_rdkit_chorizo_missing():
+def populated_polymer_missing():
     file = open(just_one_ALA_missing)
     pdb_str = file.read()
-    chorizo = LinkedRDKitChorizo.from_pdb_string(
+    polymer = Polymer.from_pdb_string(
         pdb_str,
         chem_templates,
         mk_prep,
         blunt_ends=[("A:1", 0), ("A:1", 2)],
         allow_bad_res=True,
     )
-    return chorizo
+    return polymer
 
 
 @pytest.fixture
-def populated_rdkit_chorizo_residue(populated_rdkit_chorizo):
-    chorizo = populated_rdkit_chorizo
-    return chorizo.residues["A:1"]
+def populated_monomer(populated_polymer):
+    polymer = populated_polymer
+    return polymer.monomers["A:1"]
 
 
 @pytest.fixture
-def populated_rdkit_molsetup(populated_rdkit_chorizo_residue):
-    residue = populated_rdkit_chorizo_residue
-    return residue.molsetup
+def populated_rdkit_molsetup(populated_monomer):
+    monomer = populated_monomer
+    return monomer.molsetup
 
 
 @pytest.fixture
-def populated_residue_chem_templates(populated_rdkit_chorizo):
-    chorizo = populated_rdkit_chorizo
-    return chorizo.residue_chem_templates
+def populated_residue_chem_templates(populated_polymer):
+    polymer = populated_polymer
+    return polymer.residue_chem_templates
 
 
 @pytest.fixture
@@ -140,59 +140,59 @@ def test_rdkit_molsetup_encoding_decoding(populated_rdkit_molsetup):
     return
 
 
-def test_chorizo_residue_encoding_decoding(populated_rdkit_chorizo_residue):
+def test_monomer_encoding_decoding(populated_monomer):
     """
-    Takes a fully populated ChorizoResidue, checks that it can be serialized to JSON and deserialized back into an
+    Takes a fully populated Monomer, checks that it can be serialized to JSON and deserialized back into an
     object without any errors, then checks that the deserialized object matches the starting object and that the
-    attribute types, values, and structure of the deserialized object are as expected for an ChorizoResidue.
+    attribute types, values, and structure of the deserialized object are as expected for an Monomer.
 
     Parameters
     ----------
-    populated_rdkit_chorizo_residue: ChorizoResidue
-        Takes as input a populated ChorizoResidue object.
+    populated_monomer: Monomer
+        Takes as input a populated Monomer object.
 
     Returns
     -------
     None
     """
-    # Starts by getting a ChorizoResidue object, converting it to a json string, and then decoding the string into
-    # a new ChorizoResidue object
-    starting_residue = populated_rdkit_chorizo_residue
-    json_str = json.dumps(starting_residue, cls=ChorizoResidueEncoder)
-    decoded_residue = json.loads(
-        json_str, object_hook=linked_rdkit_chorizo.chorizo_residue_json_decoder
+    # Starts by getting a Monomer object, converting it to a json string, and then decoding the string into
+    # a new Monomer object
+    starting_monomer = populated_monomer
+    json_str = json.dumps(starting_monomer, cls=MonomerEncoder)
+    decoded_monomer = json.loads(
+        json_str, object_hook=polymer.monomer_json_decoder
     )
 
-    # Asserts that the starting and ending objects have the expected ChorizoResidue type
-    assert isinstance(starting_residue, ChorizoResidue)
-    assert isinstance(decoded_residue, ChorizoResidue)
+    # Asserts that the starting and ending objects have the expected Monomer type
+    assert isinstance(starting_monomer, Monomer)
+    assert isinstance(decoded_monomer, Monomer)
 
-    check_residue_equality(decoded_residue, starting_residue)
+    check_monomer_equality(decoded_monomer, starting_monomer)
     return
 
 
-def test_pdbqt_writing_from_decoded_chorizo(populated_rdkit_chorizo):
+def test_pdbqt_writing_from_decoded_polymer(populated_polymer):
     """
-    Takes a fully populated ChorizoResidue, writes a PDBQT string from it, encodes and decodes it, writes
-    another PDBQT string from the decoded chorizo, and then checks that the PDBQT strings are identical.
+    Takes a fully populated Polymer, writes a PDBQT string from it, encodes and decodes it, writes
+    another PDBQT string from the decoded polymer, and then checks that the PDBQT strings are identical.
 
     Parameters
     ----------
-    populated_rdkit_chorizo: LinkedRDKitChorizo
-        Takes as input a populated LinkedRDKitChorizo object.
+    populated_polymer: Polymer
+        Takes as input a populated Polymer object.
 
     Returns
     -------
     None
     """
 
-    starting_chorizo = populated_rdkit_chorizo
-    starting_pdbqt = PDBQTWriterLegacy.write_from_linked_rdkit_chorizo(starting_chorizo)
-    json_str = json.dumps(starting_chorizo, cls=LinkedRDKitChorizoEncoder)
-    decoded_chorizo = json.loads(
-        json_str, object_hook=linked_rdkit_chorizo.linked_rdkit_chorizo_json_decoder
+    starting_polymer = populated_polymer
+    starting_pdbqt = PDBQTWriterLegacy.write_from_polymer(starting_polymer)
+    json_str = json.dumps(starting_polymer, cls=PolymerEncoder)
+    decoded_polymer = json.loads(
+        json_str, object_hook=polymer.polymer_json_decoder
     )
-    decoded_pdbqt = PDBQTWriterLegacy.write_from_linked_rdkit_chorizo(decoded_chorizo) 
+    decoded_pdbqt = PDBQTWriterLegacy.write_from_polymer(decoded_polymer) 
     assert decoded_pdbqt == starting_pdbqt
     return
 
@@ -218,7 +218,7 @@ def test_residue_template_encoding_decoding(populated_residue_template):
     starting_template = populated_residue_template
     json_str = json.dumps(starting_template, cls=ResidueTemplateEncoder)
     decoded_template = json.loads(
-        json_str, object_hook=linked_rdkit_chorizo.residue_template_json_decoder
+        json_str, object_hook=polymer.residue_template_json_decoder
     )
 
     # Asserts that the starting and ending objects have the expected ResidueTemplate type
@@ -250,7 +250,7 @@ def test_residue_padder_encoding_decoding(populated_residue_padder):
     starting_padder = populated_residue_padder
     json_str = json.dumps(starting_padder, cls=ResiduePadderEncoder)
     decoded_padder = json.loads(
-        json_str, object_hook=linked_rdkit_chorizo.residue_padder_json_decoder
+        json_str, object_hook=polymer.residue_padder_json_decoder
     )
 
     # Asserts that the starting and ending objects have the expected ResiduePadder type
@@ -282,7 +282,7 @@ def test_residue_chem_templates_encoding_decoding(populated_residue_chem_templat
     starting_templates = populated_residue_chem_templates
     json_str = json.dumps(starting_templates, cls=ResidueChemTemplatesEncoder)
     decoded_templates = json.loads(
-        json_str, object_hook=linked_rdkit_chorizo.residue_chem_templates_json_decoder
+        json_str, object_hook=polymer.residue_chem_templates_json_decoder
     )
 
     # Asserts that the starting and ending objects have the expected ResidueChemTemplates type
@@ -294,41 +294,41 @@ def test_residue_chem_templates_encoding_decoding(populated_residue_chem_templat
     return
 
 
-def test_linked_rdkit_chorizo_encoding_decoding(
-    populated_rdkit_chorizo, populated_rdkit_chorizo_missing
+def test_polymer_encoding_decoding(
+    populated_polymer, populated_polymer_missing
 ):
     """
-    Takes a fully populated LinkedRDKitChorizo, checks that it can be serialized to JSON and deserialized back into an
+    Takes a fully populated Polymer, checks that it can be serialized to JSON and deserialized back into an
     object without any errors, then checks that the deserialized object matches the starting object and that the
-    attribute types, values, and structure of the deserialized object are as expected for an LinkedRDKitChorizo.
+    attribute types, values, and structure of the deserialized object are as expected for a Polymer.
 
     Parameters
     ----------
-    populated_rdkit_chorizo: LinkedRDKitChorizo
-        Takes as input a populated LinkedRDKitChorizo object.
+    populated_polymer: Polymer
+        Takes as input a populated Polymer object.
 
     Returns
     -------
     None
     """
-    # Starts by getting a LinkedRDKitChorizo object, converting it to a json string, and then decoding the string into
-    # a new LinkedRDKitChorizo object
-    chorizos = (
-        populated_rdkit_chorizo,
-        populated_rdkit_chorizo_missing,
+    # Starts by getting a Polymer object, converting it to a json string, and then decoding the string into
+    # a new Polymer object
+    polymers = (
+        populated_polymer,
+        populated_polymer_missing,
     )
-    for starting_chorizo in chorizos:
-        json_str = json.dumps(starting_chorizo, cls=LinkedRDKitChorizoEncoder)
-        decoded_chorizo = json.loads(
-            json_str, object_hook=linked_rdkit_chorizo.linked_rdkit_chorizo_json_decoder
+    for starting_polymer in polymers:
+        json_str = json.dumps(starting_polymer, cls=PolymerEncoder)
+        decoded_polymer = json.loads(
+            json_str, object_hook=polymer.polymer_json_decoder
         )
 
-        # Asserts that the starting and ending objects have the expected LinkedRDKitChorizo type
-        assert isinstance(starting_chorizo, LinkedRDKitChorizo)
-        assert isinstance(decoded_chorizo, LinkedRDKitChorizo)
+        # Asserts that the starting and ending objects have the expected Polymer type
+        assert isinstance(starting_polymer, Polymer)
+        assert isinstance(decoded_polymer, Polymer)
 
-        # Checks that the two chorizos are equal
-        check_linked_rdkit_chorizo_equality(decoded_chorizo, starting_chorizo)
+        # Checks that the two polymers are equal
+        check_polymer_equality(decoded_polymer, starting_polymer)
     return
 
 
@@ -554,39 +554,39 @@ def check_restraint_equality(decoded_obj: Restraint, starting_obj: Restraint):
     return
 
 
-def check_residue_equality(decoded_obj: ChorizoResidue, starting_obj: ChorizoResidue):
+def check_monomer_equality(decoded_obj: Monomer, starting_obj: Monomer):
     """
-    Asserts that two ChorizoResidue objects are equal, and that the decoded_obj input has fields contain correctly typed
+    Asserts that two Monomer objects are equal, and that the decoded_obj input has fields contain correctly typed
     data.
 
     Parameters
     ----------
-    decoded_obj: ChorizoResidue
-        A ChorizoResidue object that we want to check is correctly typed and contains the correct data.
-    starting_obj: ChorizoResidue
-        A ChorizoResidue object with the desired values to check the decoded object against.
+    decoded_obj: Monomer
+        A Monomer object that we want to check is correctly typed and contains the correct data.
+    starting_obj: Monomer
+        A Monomer object with the desired values to check the decoded object against.
 
     Returns
     -------
     None
     """
-    # Goes through the Chorizo Residue's fields and checks that they are the expected type and match the ChorizoResidue
-    # object before serialization (that we have effectively rebuilt the ChorizoResidue)
+    # Goes through the Monomer's fields and checks that they are the expected type and match the Monomer
+    # object before serialization (that we have effectively rebuilt the Monomer)
 
     # RDKit Mols - Check whether we can test for equality with RDKit Mols
-    # assert decoded_residue.raw_rdkit_mol == starting_residue.raw_rdkit_mol
+    # assert decoded_monomer.raw_rdkit_mol == starting_residue.raw_rdkit_mol
     assert type(decoded_obj.raw_rdkit_mol) == type(starting_obj.raw_rdkit_mol)
     if isinstance(decoded_obj.raw_rdkit_mol, Chem.rdchem.Mol):
         assert Chem.MolToSmiles(decoded_obj.raw_rdkit_mol) == Chem.MolToSmiles(
             starting_obj.raw_rdkit_mol
         )
-    # assert decoded_residue.rdkit_mol == starting_residue.rdkit_mol
+    # assert decoded_monomer.rdkit_mol == starting_monomer.rdkit_mol
     assert type(decoded_obj.rdkit_mol) == type(starting_obj.rdkit_mol)
     if isinstance(decoded_obj.rdkit_mol, Chem.rdchem.Mol):
         assert Chem.MolToSmiles(decoded_obj.rdkit_mol) == Chem.MolToSmiles(
             starting_obj.rdkit_mol
         )
-    # assert decoded_residue.padded_mol == starting_residue.padded_mol
+    # assert decoded_monomer.padded_mol == starting_monomer.padded_mol
     assert type(decoded_obj.padded_mol) == type(starting_obj.padded_mol)
     if isinstance(decoded_obj.padded_mol, Chem.rdchem.Mol):
         assert Chem.MolToSmiles(decoded_obj.padded_mol) == Chem.MolToSmiles(
@@ -727,19 +727,19 @@ def check_residue_padder_equality(
     return
 
 
-def check_linked_rdkit_chorizo_equality(
-    decoded_obj: LinkedRDKitChorizo, starting_obj: LinkedRDKitChorizo
+def check_polymer_equality(
+    decoded_obj: Polymer, starting_obj: Polymer
 ):
     """
-    Asserts that two LinkedRDKitChorizo objects are equal, and that the decoded_obj input has fields contain correctly
+    Asserts that two Polymer objects are equal, and that the decoded_obj input has fields contain correctly
     typed data.
 
     Parameters
     ----------
-    decoded_obj: LinkedRDKitChorizo
-        A LinkedRDKitChorizo object that we want to check is correctly typed and contains the correct data.
-    starting_obj: LinkedRDKitChorizo
-        A LinkedRDKitChorizo object with the desired values to check the decoded object against.
+    decoded_obj: Polymer
+        A Polymer object that we want to check is correctly typed and contains the correct data.
+    starting_obj: Polymer
+        A Polymer object with the desired values to check the decoded object against.
 
     Returns
     -------
@@ -753,13 +753,13 @@ def check_linked_rdkit_chorizo_equality(
     )
 
     # Loops through residues, checks that the decoded and starting obj share the same set of keys, that all the residues
-    # are represented as ChorizoResidue objects, and that the decoding and starting obj ChorizoResidues are equal.
-    assert decoded_obj.residues.keys() == starting_obj.residues.keys()
-    for key in decoded_obj.residues:
+    # are represented as Monomer objects, and that the decoding and starting obj Monomers are equal.
+    assert decoded_obj.monomers.keys() == starting_obj.monomers.keys()
+    for key in decoded_obj.monomers:
         correct_val_type = correct_val_type & isinstance(
-            decoded_obj.residues[key], ChorizoResidue
+            decoded_obj.monomers[key], Monomer
         )
-        check_residue_equality(decoded_obj.residues[key], starting_obj.residues[key])
+        check_monomer_equality(decoded_obj.monomers[key], starting_obj.monomers[key])
     assert correct_val_type
 
     # Checks log equality
diff --git a/test/linked_rdkit_chorizo_creation_test.py b/test/polymer_creation_test.py
similarity index 62%
rename from test/linked_rdkit_chorizo_creation_test.py
rename to test/polymer_creation_test.py
index c1d52f44..9f07b871 100644
--- a/test/linked_rdkit_chorizo_creation_test.py
+++ b/test/polymer_creation_test.py
@@ -3,7 +3,7 @@
 import pytest
 import os
 
-from meeko import LinkedRDKitChorizo
+from meeko import Polymer
 from meeko import PDBQTWriterLegacy
 from meeko import MoleculePreparation
 from meeko import ResidueChemTemplates
@@ -16,24 +16,24 @@
 pkgdir = pathlib.Path(meeko.__file__).parents[1]
 meekodir = pathlib.Path(meeko.__file__).parents[0]
 
-ahhy_example = pkgdir / "test/linked_rdkit_chorizo_data/AHHY.pdb"
+ahhy_example = pkgdir / "test/polymer_data/AHHY.pdb"
 just_one_ALA_missing = (
-    pkgdir / "test/linked_rdkit_chorizo_data/just-one-ALA-missing-CB.pdb"
+    pkgdir / "test/polymer_data/just-one-ALA-missing-CB.pdb"
 )
-just_one_ALA = pkgdir / "test/linked_rdkit_chorizo_data/just-one-ALA.pdb"
-just_three_residues = pkgdir / "test/linked_rdkit_chorizo_data/just-three-residues.pdb"
-disulfide_bridge = pkgdir / "test/linked_rdkit_chorizo_data/just_a_disulfide_bridge.pdb"
-loop_with_disulfide = pkgdir / "test/linked_rdkit_chorizo_data/loop_with_disulfide.pdb"
-insertion_code = pkgdir / "test/linked_rdkit_chorizo_data/1igy_B_82-83_has-icode.pdb"
-non_sequential_res = pkgdir / "test/linked_rdkit_chorizo_data/non-sequential-res.pdb"
-has_altloc = pkgdir / "test/linked_rdkit_chorizo_data/has-altloc.pdb"
-has_lys = pkgdir / "test/linked_rdkit_chorizo_data/has-lys.pdb"
-has_lyn = pkgdir / "test/linked_rdkit_chorizo_data/has-lyn.pdb"
-has_lys_resname_lyn = pkgdir / "test/linked_rdkit_chorizo_data/has-lys-resname-lyn.pdb"
-disulfide_adjacent = pkgdir / "test/linked_rdkit_chorizo_data/disulfide_bridge_in_adjacent_residues.pdb"
+just_one_ALA = pkgdir / "test/polymer_data/just-one-ALA.pdb"
+just_three_residues = pkgdir / "test/polymer_data/just-three-residues.pdb"
+disulfide_bridge = pkgdir / "test/polymer_data/just_a_disulfide_bridge.pdb"
+loop_with_disulfide = pkgdir / "test/polymer_data/loop_with_disulfide.pdb"
+insertion_code = pkgdir / "test/polymer_data/1igy_B_82-83_has-icode.pdb"
+non_sequential_res = pkgdir / "test/polymer_data/non-sequential-res.pdb"
+has_altloc = pkgdir / "test/polymer_data/has-altloc.pdb"
+has_lys = pkgdir / "test/polymer_data/has-lys.pdb"
+has_lyn = pkgdir / "test/polymer_data/has-lyn.pdb"
+has_lys_resname_lyn = pkgdir / "test/polymer_data/has-lys-resname-lyn.pdb"
+disulfide_adjacent = pkgdir / "test/polymer_data/disulfide_bridge_in_adjacent_residues.pdb"
 
 
-# TODO: add checks for untested chorizo fields (e.g. input options not indicated here)
+# TODO: add checks for untested polymer fields (e.g. input options not indicated here)
 
 with open(meekodir / "data" / "residue_chem_templates.json") as f:
     t = json.load(f)
@@ -73,18 +73,18 @@ def test_flexres_pdbqt():
         ":6": "CYX",
         ":17": "CYX",
     }  # TODO remove this to test use of bonds to set templates
-    chorizo = LinkedRDKitChorizo.from_pdb_string(
+    polymer = Polymer.from_pdb_string(
         pdb_string,
         chem_templates,
         mk_prep,
         set_templates,
         blunt_ends=[(":5", 0), (":18", 2)],
     )
-    res11 = chorizo.residues[":11"]
+    res11 = polymer.monomers[":11"]
     assert sum(res11.is_flexres_atom) == 0
-    chorizo.flexibilize_sidechain(":11", mk_prep)
+    polymer.flexibilize_sidechain(":11", mk_prep)
     assert sum(res11.is_flexres_atom) == 9
-    rigid, flex_dict = PDBQTWriterLegacy.write_from_linked_rdkit_chorizo(chorizo)
+    rigid, flex_dict = PDBQTWriterLegacy.write_from_polymer(polymer)
     nr_rigid_atoms = len(rigid.splitlines())
     assert nr_rigid_atoms == 124
     nr_flex_atoms = 0
@@ -96,7 +96,7 @@ def test_flexres_pdbqt():
 def test_AHHY_all_static_residues():
     f = open(ahhy_example, "r")
     pdb_string = f.read()
-    chorizo = LinkedRDKitChorizo.from_pdb_string(
+    polymer = Polymer.from_pdb_string(
         pdb_string,
         chem_templates,
         mk_prep,
@@ -104,20 +104,20 @@ def test_AHHY_all_static_residues():
     )
     # Asserts that the residues have been imported in a way that makes sense, and that all the
     # private functions we expect to have run as expected.
-    assert len(chorizo.residues) == 4
-    assert len(chorizo.get_ignored_residues()) == 0
-    assert len(chorizo.get_valid_residues()) == 4
-    assert chorizo.residues["A:1"].residue_template_key == "ALA"
-    assert chorizo.residues["A:2"].residue_template_key == "HID"
-    assert chorizo.residues["A:3"].residue_template_key == "HIE"
-    assert chorizo.residues["A:4"].residue_template_key == "CTYR"
-
-    check_charge(chorizo.residues["A:1"], 0.0)
-    check_charge(chorizo.residues["A:2"], 0.0)
-    check_charge(chorizo.residues["A:3"], 0.0)
-    check_charge(chorizo.residues["A:4"], -1.0)
-
-    pdbqt_strings = PDBQTWriterLegacy.write_string_from_linked_rdkit_chorizo(chorizo)
+    assert len(polymer.monomers) == 4
+    assert len(polymer.get_ignored_monomers()) == 0
+    assert len(polymer.get_valid_monomers()) == 4
+    assert polymer.monomers["A:1"].residue_template_key == "ALA"
+    assert polymer.monomers["A:2"].residue_template_key == "HID"
+    assert polymer.monomers["A:3"].residue_template_key == "HIE"
+    assert polymer.monomers["A:4"].residue_template_key == "CTYR"
+
+    check_charge(polymer.monomers["A:1"], 0.0)
+    check_charge(polymer.monomers["A:2"], 0.0)
+    check_charge(polymer.monomers["A:3"], 0.0)
+    check_charge(polymer.monomers["A:4"], -1.0)
+
+    pdbqt_strings = PDBQTWriterLegacy.write_string_from_polymer(polymer)
     rigid_part, movable_part = pdbqt_strings
 
     # remove newline chars because Windows/Unix differ
@@ -130,17 +130,17 @@ def test_AHHY_all_static_residues():
 def test_AHHY_padding():
     with open(ahhy_example, "r") as f:
         pdb_string = f.read()
-    chorizo = LinkedRDKitChorizo.from_pdb_string(
+    polymer = Polymer.from_pdb_string(
         pdb_string,
         chem_templates,
         mk_prep,
         blunt_ends=[("A:1", 0)],
     )
-    assert len(chorizo.residues) == 4
-    assert len(chorizo.get_ignored_residues()) == 0
+    assert len(polymer.monomers) == 4
+    assert len(polymer.get_ignored_monomers()) == 0
 
     for residue_id in ["A:1", "A:2", "A:3", "A:4"]:
-        residue = chorizo.residues[residue_id]
+        residue = polymer.monomers[residue_id]
         run_padding_checks(residue)
 
 
@@ -148,29 +148,29 @@ def test_just_three_padded_mol():
     with open(just_three_residues, "r") as f:
         pdb_string = f.read()
     set_template = {":15": "NMET"}
-    chorizo = LinkedRDKitChorizo.from_pdb_string(
+    polymer = Polymer.from_pdb_string(
         pdb_string,
         chem_templates,
         mk_prep,
         set_template=set_template,
         blunt_ends=[(":17", 17)],
     )
-    assert len(chorizo.residues) == 3
-    assert len(chorizo.get_ignored_residues()) == 0
-    assert len(chorizo.get_valid_residues()) == 3
+    assert len(polymer.monomers) == 3
+    assert len(polymer.get_ignored_monomers()) == 0
+    assert len(polymer.get_valid_monomers()) == 3
 
-    assert chorizo.residues[":15"].residue_template_key == "NMET"
-    assert chorizo.residues[":16"].residue_template_key == "SER"
-    assert chorizo.residues[":17"].residue_template_key == "LEU"
-    check_charge(chorizo.residues[":15"], 1.0)
-    check_charge(chorizo.residues[":16"], 0.0)
-    check_charge(chorizo.residues[":17"], 0.0)
+    assert polymer.monomers[":15"].residue_template_key == "NMET"
+    assert polymer.monomers[":16"].residue_template_key == "SER"
+    assert polymer.monomers[":17"].residue_template_key == "LEU"
+    check_charge(polymer.monomers[":15"], 1.0)
+    check_charge(polymer.monomers[":16"], 0.0)
+    check_charge(polymer.monomers[":17"], 0.0)
 
     for residue_id in [":15", ":16", ":17"]:
-        residue = chorizo.residues[residue_id]
+        residue = polymer.monomers[residue_id]
         run_padding_checks(residue)
 
-    pdbqt_strings = PDBQTWriterLegacy.write_string_from_linked_rdkit_chorizo(chorizo)
+    pdbqt_strings = PDBQTWriterLegacy.write_string_from_polymer(polymer)
     rigid_part, movable_part = pdbqt_strings
     # remove newline chars because Windows/Unix differ
     rigid_part = "".join(rigid_part.splitlines())
@@ -187,7 +187,7 @@ def test_AHHY_mutate_residues():
     delete_residues = ("A:4",)
     with open(ahhy_example, "r") as f:
         pdb_string = f.read()
-    chorizo = LinkedRDKitChorizo.from_pdb_string(
+    polymer = Polymer.from_pdb_string(
         pdb_string,
         chem_templates,
         mk_prep,
@@ -195,19 +195,19 @@ def test_AHHY_mutate_residues():
         set_template=set_template,
         blunt_ends=[("A:1", 0)],
     )
-    assert len(chorizo.residues) == 3
-    assert len(chorizo.get_ignored_residues()) == 0
-    assert len(chorizo.get_valid_residues()) == 3
+    assert len(polymer.monomers) == 3
+    assert len(polymer.get_ignored_monomers()) == 0
+    assert len(polymer.get_valid_monomers()) == 3
 
-    assert chorizo.residues["A:1"].residue_template_key == "ALA"
-    assert chorizo.residues["A:2"].residue_template_key == "HIP"
-    assert chorizo.residues["A:3"].residue_template_key == "HIP"
+    assert polymer.monomers["A:1"].residue_template_key == "ALA"
+    assert polymer.monomers["A:2"].residue_template_key == "HIP"
+    assert polymer.monomers["A:3"].residue_template_key == "HIP"
 
-    check_charge(chorizo.residues["A:1"], 0.0)
-    check_charge(chorizo.residues["A:2"], 1.0)
-    check_charge(chorizo.residues["A:3"], 1.0)
+    check_charge(polymer.monomers["A:1"], 0.0)
+    check_charge(polymer.monomers["A:2"], 1.0)
+    check_charge(polymer.monomers["A:3"], 1.0)
 
-    pdbqt_strings = PDBQTWriterLegacy.write_string_from_linked_rdkit_chorizo(chorizo)
+    pdbqt_strings = PDBQTWriterLegacy.write_string_from_polymer(polymer)
     rigid_part, movable_part = pdbqt_strings
     # remove newline chars because Windows/Unix differ
     rigid_part = "".join(rigid_part.splitlines())
@@ -219,19 +219,19 @@ def test_residue_missing_atoms():
     with open(just_one_ALA_missing, "r") as f:
         pdb_string = f.read()
 
-    chorizo = LinkedRDKitChorizo.from_pdb_string(
+    polymer = Polymer.from_pdb_string(
         pdb_string,
         chem_templates,
         mk_prep,
         allow_bad_res=True,
         blunt_ends=[("A:1", 0), ("A:1", 2)],
     )
-    assert len(chorizo.get_valid_residues()) == 0
-    assert len(chorizo.residues) == 1
-    assert len(chorizo.get_ignored_residues()) == 1
+    assert len(polymer.get_valid_monomers()) == 0
+    assert len(polymer.monomers) == 1
+    assert len(polymer.get_ignored_monomers()) == 1
 
     with pytest.raises(RuntimeError):
-        chorizo = LinkedRDKitChorizo.from_pdb_string(
+        polymer = Polymer.from_pdb_string(
             pdb_string,
             chem_templates,
             mk_prep,
@@ -247,13 +247,13 @@ def test_AHHY_mk_prep_and_export():
     mk_prep2 = MoleculePreparation(
         add_atom_types=[{"smarts": "[CH2,CH3]", "new_param": 42.0}]
     )
-    chorizo = LinkedRDKitChorizo.from_pdb_string(
+    polymer = Polymer.from_pdb_string(
         pdb_text,
         chem_templates,
         mk_prep2,
         blunt_ends=[("A:1", 0)],
     )
-    ap, xyz = chorizo.export_static_atom_params()
+    ap, xyz = polymer.export_static_atom_params()
     # all parameters musthave same size
     assert len(set([len(values) for (key, values) in ap.items()])) == 1
     assert "new_param" in ap
@@ -263,7 +263,7 @@ def test_disulfides():
     with open(disulfide_bridge, "r") as f:
         pdb_text = f.read()
     # auto disulfide detection is enabled by default
-    chorizo_disulfide = LinkedRDKitChorizo.from_pdb_string(
+    polymer_disulfide = Polymer.from_pdb_string(
         pdb_text,
         chem_templates,
         mk_prep,
@@ -272,7 +272,7 @@ def test_disulfides():
     # the disulfide bond is detected, and it expects two paddings,
     # but forcing CYS not CYX disables the padding, so error expected
     with pytest.raises(RuntimeError):
-        chorizo_thiols = LinkedRDKitChorizo.from_pdb_string(
+        polymer_thiols = Polymer.from_pdb_string(
             pdb_text,
             chem_templates,
             mk_prep,
@@ -282,7 +282,7 @@ def test_disulfides():
 
     # remove bond and expect CYS between residues
     # currently, all bonds between a pair of residues will be removed
-    chorizo_thiols = LinkedRDKitChorizo.from_pdb_string(
+    polymer_thiols = Polymer.from_pdb_string(
         pdb_text,
         chem_templates,
         mk_prep,
@@ -291,16 +291,16 @@ def test_disulfides():
     )
 
     # check residue names
-    assert chorizo_disulfide.residues["B:22"].residue_template_key == "CYX"
-    assert chorizo_disulfide.residues["B:95"].residue_template_key == "CYX"
-    assert chorizo_thiols.residues["B:22"].residue_template_key == "CYS"
-    assert chorizo_thiols.residues["B:95"].residue_template_key == "CYS"
+    assert polymer_disulfide.monomers["B:22"].residue_template_key == "CYX"
+    assert polymer_disulfide.monomers["B:95"].residue_template_key == "CYX"
+    assert polymer_thiols.monomers["B:22"].residue_template_key == "CYS"
+    assert polymer_thiols.monomers["B:95"].residue_template_key == "CYS"
 
 
 def test_insertion_code():
     with open(insertion_code, "r") as f:
         pdb_text = f.read()
-    chorizo = LinkedRDKitChorizo.from_pdb_string(
+    polymer = Polymer.from_pdb_string(
         pdb_text,
         chem_templates,
         mk_prep,
@@ -308,20 +308,20 @@ def test_insertion_code():
     )
 
     expected_res = set(("B:82", "B:82A", "B:82B", "B:82C", "B:83"))
-    res = set(chorizo.residues)
+    res = set(polymer.monomers)
     assert res == expected_res
 
 
 def test_write_pdb_1igy():
     with open(insertion_code, "r") as f:
         pdb_text = f.read()
-    chorizo = LinkedRDKitChorizo.from_pdb_string(
+    polymer = Polymer.from_pdb_string(
         pdb_text,
         chem_templates,
         mk_prep,
         blunt_ends=[("B:82", 0), ("B:83", 2)],
     )
-    pdbstr = chorizo.to_pdb()
+    pdbstr = polymer.to_pdb()
 
     # input 1igy has some hydrogens, here we are making sure
     # that the position of one of them didn't change
@@ -337,17 +337,17 @@ def test_write_pdb_1igy():
 def test_write_pdb_AHHY():
     with open(ahhy_example, "r") as f:
         pdb_text = f.read()
-    chorizo = LinkedRDKitChorizo.from_pdb_string(
+    polymer = Polymer.from_pdb_string(
         pdb_text,
         chem_templates,
         mk_prep,
         blunt_ends=[("A:1", 0)],
     )
-    newpdbstr = chorizo.to_pdb()
+    newpdbstr = polymer.to_pdb()
     # AHHy doesn't have hydrogens. If hydrogens get mangled xyz=(0, 0, 0) when
     # added by RDKit, we will probably not be able to match templates anymore.
-    # and recreating the chorizo from newpdbstr will very likely fail
-    chorizo = LinkedRDKitChorizo.from_pdb_string(
+    # and recreating the polymer from newpdbstr will very likely fail
+    polymer = Polymer.from_pdb_string(
         newpdbstr,
         chem_templates,
         mk_prep,
@@ -362,7 +362,7 @@ def test_non_seq_res():
     with open(non_sequential_res, "r") as f:
         pdb_text = f.read()
     with pytest.raises(ValueError) as err_msg:
-        chorizo = LinkedRDKitChorizo.from_pdb_string(
+        polymer = Polymer.from_pdb_string(
             pdb_text,
             chem_templates,
             mk_prep,
@@ -373,20 +373,20 @@ def test_altloc():
     with open(has_altloc, "r") as f:
         pdb_text = f.read()
     with pytest.raises(RuntimeError) as err_msg:
-        chorizo = LinkedRDKitChorizo.from_pdb_string(
+        polymer = Polymer.from_pdb_string(
             pdb_text,
             chem_templates,
             mk_prep,
         )
     assert "altloc" in str(err_msg.value).lower()
 
-    chorizo = LinkedRDKitChorizo.from_pdb_string(
+    polymer = Polymer.from_pdb_string(
         pdb_text,
         chem_templates,
         mk_prep,
         default_altloc="B",
     )
-    res = chorizo.residues["A:264"]
+    res = polymer.monomers["A:264"]
     xyz = res.rdkit_mol.GetConformer().GetPositions()
     for atom in res.rdkit_mol.GetAtoms():
         index = atom.GetIdx()
@@ -395,14 +395,14 @@ def test_altloc():
             break
     assert abs(xyz[index][0] - 11.220) < 0.001
 
-    chorizo = LinkedRDKitChorizo.from_pdb_string(
+    polymer = Polymer.from_pdb_string(
         pdb_text,
         chem_templates,
         mk_prep,
         default_altloc="B",
         wanted_altloc={"A:264": "A"}
     )
-    res = chorizo.residues["A:264"]
+    res = polymer.monomers["A:264"]
     xyz = res.rdkit_mol.GetConformer().GetPositions()
     for atom in res.rdkit_mol.GetAtoms():
         index = atom.GetIdx()
@@ -415,14 +415,14 @@ def test_set_template_LYN():
     """the input is fully protonated NH3+"""
     with open(loop_with_disulfide) as f:
         pdb_string = f.read()
-    chorizo = LinkedRDKitChorizo.from_pdb_string(
+    polymer = Polymer.from_pdb_string(
         pdb_string,
         chem_templates,
         mk_prep,
         set_template={":16": "LYN"},
     )
-    res16 = chorizo.residues[":16"]
-    res17 = chorizo.residues[":17"]
+    res16 = polymer.monomers[":16"]
+    res17 = polymer.monomers[":17"]
     assert res17.residue_template_key == "CYX"
     assert res16.residue_template_key == "LYN"
     chrg16 = sum([a.charge for a in res16.molsetup.atoms if not a.is_ignore])
@@ -431,11 +431,11 @@ def test_set_template_LYN():
 def test_weird_zero_coord():
     with open(has_lys) as f:
         pdbstr = f.read()
-    chorizo = LinkedRDKitChorizo.from_pdb_string(pdbstr, chem_templates, mk_prep)
-    #pdbqt_strings = PDBQTWriterLegacy.write_string_from_linked_rdkit_chorizo(chorizo)
+    polymer = Polymer.from_pdb_string(pdbstr, chem_templates, mk_prep)
+    #pdbqt_strings = PDBQTWriterLegacy.write_string_from_polymer(polymer)
     with open("BANANACUUBER.json", "w") as f:
-        f.write(chorizo.to_json())
-    for _, res in chorizo.residues.items():
+        f.write(polymer.to_json())
+    for _, res in polymer.monomers.items():
         positions = res.rdkit_mol.GetConformer().GetPositions()
         for atom in res.molsetup.atoms:
             # there was a bug in which the C-term CYS of has_lys would be
@@ -446,22 +446,22 @@ def test_weird_zero_coord():
 def test_auto_LYN():
     with open(has_lyn) as f:
         pdbstr = f.read()
-    chorizo = LinkedRDKitChorizo.from_pdb_string(pdbstr, chem_templates, mk_prep)
-    assert chorizo.residues[":15"].residue_template_key == "LEU"
-    assert chorizo.residues[":16"].residue_template_key == "LYN"
-    assert chorizo.residues[":17"].residue_template_key == "CYX-"
+    polymer = Polymer.from_pdb_string(pdbstr, chem_templates, mk_prep)
+    assert polymer.monomers[":15"].residue_template_key == "LEU"
+    assert polymer.monomers[":16"].residue_template_key == "LYN"
+    assert polymer.monomers[":17"].residue_template_key == "CYX-"
     with open(has_lys) as f:
         pdbstr = f.read()
-    chorizo = LinkedRDKitChorizo.from_pdb_string(pdbstr, chem_templates, mk_prep)
-    assert chorizo.residues[":16"].residue_template_key == "LYS"
-    assert chorizo.residues[":17"].residue_template_key == "CYX-"
-    chorizo = LinkedRDKitChorizo.from_pdb_string(pdbstr, chem_templates, mk_prep, set_template={":16": "LYN"})
-    assert chorizo.residues[":16"].residue_template_key == "LYN"
-    assert chorizo.residues[":17"].residue_template_key == "CYX-"
+    polymer = Polymer.from_pdb_string(pdbstr, chem_templates, mk_prep)
+    assert polymer.monomers[":16"].residue_template_key == "LYS"
+    assert polymer.monomers[":17"].residue_template_key == "CYX-"
+    polymer = Polymer.from_pdb_string(pdbstr, chem_templates, mk_prep, set_template={":16": "LYN"})
+    assert polymer.monomers[":16"].residue_template_key == "LYN"
+    assert polymer.monomers[":17"].residue_template_key == "CYX-"
     with open(has_lys_resname_lyn) as f:
         pdbstr = f.read()
     with pytest.raises(RuntimeError) as err_msg:
-        chorizo = LinkedRDKitChorizo.from_pdb_string(pdbstr, chem_templates, mk_prep)
+        polymer = Polymer.from_pdb_string(pdbstr, chem_templates, mk_prep)
 
 def test_disulfide_adjacent():
     """ disulfide bridge in adjacent residues broke a version of the code
@@ -469,7 +469,7 @@ def test_disulfide_adjacent():
     """
     with open(disulfide_adjacent, "r") as f:
         pdb_text = f.read()
-    chorizo = LinkedRDKitChorizo.from_pdb_string(
+    polymer = Polymer.from_pdb_string(
         pdb_text,
         chem_templates,
         mk_prep,
diff --git a/test/linked_rdkit_chorizo_data/1igy_B_82-83_has-icode.pdb b/test/polymer_data/1igy_B_82-83_has-icode.pdb
similarity index 100%
rename from test/linked_rdkit_chorizo_data/1igy_B_82-83_has-icode.pdb
rename to test/polymer_data/1igy_B_82-83_has-icode.pdb
diff --git a/test/linked_rdkit_chorizo_data/AHHY.pdb b/test/polymer_data/AHHY.pdb
similarity index 100%
rename from test/linked_rdkit_chorizo_data/AHHY.pdb
rename to test/polymer_data/AHHY.pdb
diff --git a/test/linked_rdkit_chorizo_data/disulfide_bridge_in_adjacent_residues.pdb b/test/polymer_data/disulfide_bridge_in_adjacent_residues.pdb
similarity index 100%
rename from test/linked_rdkit_chorizo_data/disulfide_bridge_in_adjacent_residues.pdb
rename to test/polymer_data/disulfide_bridge_in_adjacent_residues.pdb
diff --git a/test/linked_rdkit_chorizo_data/has-altloc.pdb b/test/polymer_data/has-altloc.pdb
similarity index 100%
rename from test/linked_rdkit_chorizo_data/has-altloc.pdb
rename to test/polymer_data/has-altloc.pdb
diff --git a/test/linked_rdkit_chorizo_data/has-lyn.pdb b/test/polymer_data/has-lyn.pdb
similarity index 100%
rename from test/linked_rdkit_chorizo_data/has-lyn.pdb
rename to test/polymer_data/has-lyn.pdb
diff --git a/test/linked_rdkit_chorizo_data/has-lys-resname-lyn.pdb b/test/polymer_data/has-lys-resname-lyn.pdb
similarity index 100%
rename from test/linked_rdkit_chorizo_data/has-lys-resname-lyn.pdb
rename to test/polymer_data/has-lys-resname-lyn.pdb
diff --git a/test/linked_rdkit_chorizo_data/has-lys.pdb b/test/polymer_data/has-lys.pdb
similarity index 100%
rename from test/linked_rdkit_chorizo_data/has-lys.pdb
rename to test/polymer_data/has-lys.pdb
diff --git a/test/linked_rdkit_chorizo_data/just-one-ALA-missing-CB.pdb b/test/polymer_data/just-one-ALA-missing-CB.pdb
similarity index 100%
rename from test/linked_rdkit_chorizo_data/just-one-ALA-missing-CB.pdb
rename to test/polymer_data/just-one-ALA-missing-CB.pdb
diff --git a/test/linked_rdkit_chorizo_data/just-one-ALA.pdb b/test/polymer_data/just-one-ALA.pdb
similarity index 100%
rename from test/linked_rdkit_chorizo_data/just-one-ALA.pdb
rename to test/polymer_data/just-one-ALA.pdb
diff --git a/test/linked_rdkit_chorizo_data/just-three-residues.pdb b/test/polymer_data/just-three-residues.pdb
similarity index 100%
rename from test/linked_rdkit_chorizo_data/just-three-residues.pdb
rename to test/polymer_data/just-three-residues.pdb
diff --git a/test/linked_rdkit_chorizo_data/just-three-residues_vina_flexres.pdbqt b/test/polymer_data/just-three-residues_vina_flexres.pdbqt
similarity index 100%
rename from test/linked_rdkit_chorizo_data/just-three-residues_vina_flexres.pdbqt
rename to test/polymer_data/just-three-residues_vina_flexres.pdbqt
diff --git a/test/linked_rdkit_chorizo_data/just-three-residues_vina_flexres_idxmap.pdbqt b/test/polymer_data/just-three-residues_vina_flexres_idxmap.pdbqt
similarity index 100%
rename from test/linked_rdkit_chorizo_data/just-three-residues_vina_flexres_idxmap.pdbqt
rename to test/polymer_data/just-three-residues_vina_flexres_idxmap.pdbqt
diff --git a/test/linked_rdkit_chorizo_data/just_a_disulfide_bridge.pdb b/test/polymer_data/just_a_disulfide_bridge.pdb
similarity index 100%
rename from test/linked_rdkit_chorizo_data/just_a_disulfide_bridge.pdb
rename to test/polymer_data/just_a_disulfide_bridge.pdb
diff --git a/test/linked_rdkit_chorizo_data/loop_with_disulfide.pdb b/test/polymer_data/loop_with_disulfide.pdb
similarity index 100%
rename from test/linked_rdkit_chorizo_data/loop_with_disulfide.pdb
rename to test/polymer_data/loop_with_disulfide.pdb
diff --git a/test/linked_rdkit_chorizo_data/non-sequential-res.pdb b/test/polymer_data/non-sequential-res.pdb
similarity index 100%
rename from test/linked_rdkit_chorizo_data/non-sequential-res.pdb
rename to test/polymer_data/non-sequential-res.pdb

From e8166c90c4e3d2198aa9a02701800a4b1bd7d4fd Mon Sep 17 00:00:00 2001
From: diogom <diogom@scripps.edu>
Date: Mon, 4 Nov 2024 16:18:51 -0800
Subject: [PATCH 161/166] remove unused data and code from old receptor prep

---
 meeko/data/atomtypes.txt          |   48 -
 meeko/data/flexres_templates.json |   64 -
 meeko/data/pi_non_aromatic.txt    |   50 -
 meeko/data/prot_res_params.json   | 3034 -----------------------------
 meeko/data/residue_params.json    | 1413 --------------
 meeko/data/waterfield.txt         |  101 -
 meeko/receptor_pdbqt.py           |  226 ---
 7 files changed, 4936 deletions(-)
 delete mode 100644 meeko/data/atomtypes.txt
 delete mode 100644 meeko/data/flexres_templates.json
 delete mode 100644 meeko/data/pi_non_aromatic.txt
 delete mode 100644 meeko/data/prot_res_params.json
 delete mode 100644 meeko/data/residue_params.json
 delete mode 100644 meeko/data/waterfield.txt

diff --git a/meeko/data/atomtypes.txt b/meeko/data/atomtypes.txt
deleted file mode 100644
index 04c9dfb9..00000000
--- a/meeko/data/atomtypes.txt
+++ /dev/null
@@ -1,48 +0,0 @@
-#
-#  All these atom types are used to define interactions with PN (normal lone pairs) of rings and other pi-groups
-#  TODO: do they need to interact with aromatic carbons (A), too?
-#  TODO: do planar atoms (Np, Op, etc) interact with each other? see 4BFQ.
-#  
-# 
-#   - atom types are defined according to the SMARTS sequence
-#   - atoms for which atom types are defined are specified in the second field
-#   - for SMARTS atoms for which no atom type is defined, '*' is used
-#
-#   TODO:   maybe the indices are not necessary if null ('*') are used
-#           re-consider oxygen types: there are a lot, not sure if all needed
-#
-#
-
-[CH2X4][CH2X4][CH2X4][NHX3][CH0X3](=[NH2X3+,NHX2+0,N])[NH2X3]       guanidine;                          3,4,5,6;    *,*,*,Np,Cp,Np,Np
-
-[*][CX3](=[OX1])[NX3H2]                                             amides;                             0,1,2,3;    *,Cp,Op,Np
-
-[*][CX3](=[OX1])[OH0-,OH]                                           carboxylic/carboxylate;             0,1,2,3;    *,Cp,Op,Op
-
-###  N-methylpyrrole, etc... (maybe superfluous? Np would be sufficient?)
-[n;X3]                                                              N aromatic non-HBacc;               0;          Nr
-
-### anyline
-[N;X3]~[a]                                                          N aromatic amine non-HBacc;         0;          Np
-
-### pyridine
-[n;X2]                                                              N aromatic HBacc;                   0;          Nl
-
-### aromatic hydroxyl/ether/cyclic carbonyl
-[#8;!R]~[a]                                                         O aromatic OH HBacc;                0;          Op
-
-[s]                                                                 S aromatic non-HBacc;               0;          Sr
-
-[o]                                                                 O aromatic non-HBacc;               0;          Or
-
-[NX4]                                                               N charged non-HBacc;                0;          N+
-
-### nitro (NOTE: maybe Or instead of On, since both non HBacc?)
-O~[N](~[O])-[a]                                                     aromatic nitro (all non-HBAcc);     0,1,2;      On,Np,On,*
-
-
-### This might be superfluous? it has pseudo-atoms already...
-[CH2X4][SX2][*]                                                     S cys/met;                          1;          *,Sp,*
-
-[C]=[C]                                                             C aliphatic unsaturated;            0,1;        Cp,Cp
-# TODO: sp1 (do they interact with aromatic? check literature)
diff --git a/meeko/data/flexres_templates.json b/meeko/data/flexres_templates.json
deleted file mode 100644
index 8cb821e8..00000000
--- a/meeko/data/flexres_templates.json
+++ /dev/null
@@ -1,64 +0,0 @@
-{
-"LYS":
-    {"is_atom": [false, true, false, false, true, false, true, false, true, false, true, false, true, true, true, true, false, false, false, false, false], "atom_name": [null, "CA", null, null, "CB", null, "CG", null, "CD", null, "CE", null, "NZ", "HZ3", "HZ2", "HZ1", null, null, null, null, null], "original_line": ["ROOT", null, "ENDROOT", "BRANCH   1   2", null, "BRANCH   2   3", null, "BRANCH   3   4", null, "BRANCH   4   5", null, "BRANCH   5   6", null, null, null, null, "ENDBRANCH   5   6", "ENDBRANCH   4   5", "ENDBRANCH   3   4", "ENDBRANCH   2   3", "ENDBRANCH   1   2"]},
-
-"ARG":
-    {"is_atom": [false, true, false, false, true, false, true, false, true, false, true, true, true, true, true, true, true, true, true, false, false, false, false], "atom_name": [null, "CA", null, null, "CB", null, "CG", null, "CD", null, "NE", "CZ", "NH2", "NH1", "HH22", "HH21", "HH12", "HH11", "HE", null, null, null, null], "original_line": ["ROOT", null, "ENDROOT", "BRANCH   1   2", null, "BRANCH   2   3", null, "BRANCH   3   4", null, "BRANCH   4   5", null, null, null, null, null, null, null, null, null, "ENDBRANCH   4   5", "ENDBRANCH   3   4", "ENDBRANCH   2   3", "ENDBRANCH   1   2"]},
-
-"GLH":
-    {"is_atom": [false, true, false, false, true, true, true, false, true, true, true, false, true, true, true, true, false, false, false], "atom_name": [null, "CA", null, null, "CB", "HB2", "HB3", null, "CG", "HG3", "HG2", null, "CD", "OE1", "OE2", "HE2", null, null, null], "original_line": ["ROOT", null, "ENDROOT", "BRANCH   1   2", null, null, null, "BRANCH   2   5", null, null, null, "BRANCH   5   8", null, null, null, null, "ENDBRANCH   5   8", "ENDBRANCH   2   5", "ENDBRANCH   1   2"]},
-
-"HIP":
-    {"is_atom": [false, true, false, false, true, false, true, true, true, true, true, true, true, false, false], "atom_name": [null, "CA", null, null, "CB", null, "CG", "ND1", "HD1", "CE1", "NE2", "CD2", "HE2", null, null], "original_line": ["ROOT", null, "ENDROOT", "BRANCH   1   2", null, "BRANCH   2   3", null, null, null, null, null, null, null, "ENDBRANCH   2   3", "ENDBRANCH   1   2"]},
-
-"VAL":
-    {"is_atom": [false, true, false, false, true, true, true, false], "atom_name": [null, "CA", null, null, "CB", "CG1", "CG2", null], "original_line": ["ROOT", null, "ENDROOT", "BRANCH   1   2", null, null, null, "ENDBRANCH   1   2"]},
-
-"TYR":
-    {"is_atom": [false, true, false, false, true, false, true, true, true, true, true, true, false, true, true, false, false, false], "atom_name": [null, "CA", null, null, "CB", null, "CG", "CD1", "CE1", "CZ", "CE2", "CD2", null, "OH", "HH", null, null, null], "original_line": ["ROOT", null, "ENDROOT", "BRANCH   1   2", null, "BRANCH   2   3", null, null, null, null, null, null, "BRANCH   6   9", null, null, "ENDBRANCH   6   9", "ENDBRANCH   2   3", "ENDBRANCH   1   2"]},
-
-"ASH":
-    {"is_atom": [false, true, false, false, true, false, true, true, true, true, false, false], "atom_name": [null, "CA", null, null, "CB", null, "CG", "OD1", "OD2", "HD2", null, null], "original_line": ["ROOT", null, "ENDROOT", "BRANCH   1   2", null, "BRANCH   2   3", null, null, null, null, "ENDBRANCH   2   3", "ENDBRANCH   1   2"]},
-
-"HIE":
-    {"is_atom": [false, true, false, false, true, false, true, true, true, true, true, true, false, false], "atom_name": [null, "CA", null, null, "CB", null, "CG", "ND1", "CE1", "NE2", "HE2", "CD2", null, null], "original_line": ["ROOT", null, "ENDROOT", "BRANCH   1   2", null, "BRANCH   2   3", null, null, null, null, null, null, "ENDBRANCH   2   3", "ENDBRANCH   1   2"]},
-
-"GLU":
-    {"is_atom": [false, true, false, false, true, false, true, false, true, true, true, false, false, false], "atom_name": [null, "CA", null, null, "CB", null, "CG", null, "CD", "OE1", "OE2", null, null, null], "original_line": ["ROOT", null, "ENDROOT", "BRANCH   1   2", null, "BRANCH   2   3", null, "BRANCH   3   4", null, null, null, "ENDBRANCH   3   4", "ENDBRANCH   2   3", "ENDBRANCH   1   2"]},
-
-"LEU":
-    {"is_atom": [false, true, false, false, true, false, true, true, true, false, false], "atom_name": [null, "CA", null, null, "CB", null, "CG", "CD2", "CD1", null, null], "original_line": ["ROOT", null, "ENDROOT", "BRANCH   1   2", null, "BRANCH   2   3", null, null, null, "ENDBRANCH   2   3", "ENDBRANCH   1   2"]},
-
-"PHE":
-    {"is_atom": [false, true, false, false, true, false, true, true, true, true, true, true, false, false], "atom_name": [null, "CA", null, null, "CB", null, "CG", "CD1", "CE1", "CZ", "CE2", "CD2", null, null], "original_line": ["ROOT", null, "ENDROOT", "BRANCH   1   2", null, "BRANCH   2   3", null, null, null, null, null, null, "ENDBRANCH   2   3", "ENDBRANCH   1   2"]},
-
-"GLN":
-    {"is_atom": [false, true, false, false, true, false, true, false, true, true, true, true, true, false, false, false], "atom_name": [null, "CA", null, null, "CB", null, "CG", null, "CD", "NE2", "HE22", "HE21", "OE1", null, null, null], "original_line": ["ROOT", null, "ENDROOT", "BRANCH   1   2", null, "BRANCH   2   3", null, "BRANCH   3   4", null, null, null, null, null, "ENDBRANCH   3   4", "ENDBRANCH   2   3", "ENDBRANCH   1   2"]},
-
-"ILE":
-    {"is_atom": [false, true, false, false, true, true, false, true, true, false, false], "atom_name": [null, "CA", null, null, "CB", "CG2", null, "CG1", "CD1", null, null], "original_line": ["ROOT", null, "ENDROOT", "BRANCH   1   2", null, null, "BRANCH   2   4", null, null, "ENDBRANCH   2   4", "ENDBRANCH   1   2"]},
-
-"MET":
-    {"is_atom": [false, true, false, false, true, false, true, false, true, true, false, false, false], "atom_name": [null, "CA", null, null, "CB", null, "CG", null, "SD", "CE", null, null, null], "original_line": ["ROOT", null, "ENDROOT", "BRANCH   1   2", null, "BRANCH   2   3", null, "BRANCH   3   4", null, null, "ENDBRANCH   3   4", "ENDBRANCH   2   3", "ENDBRANCH   1   2"]},
-
-"ASN":
-    {"is_atom": [false, true, false, false, true, false, true, true, true, true, true, false, false], "atom_name": [null, "CA", null, null, "CB", null, "CG", "OD1", "ND2", "HD21", "HD22", null, null], "original_line": ["ROOT", null, "ENDROOT", "BRANCH   1   2", null, "BRANCH   2   3", null, null, null, null, null, "ENDBRANCH   2   3", "ENDBRANCH   1   2"]},
-
-"THR":
-    {"is_atom": [false, true, false, false, true, true, false, true, true, false, false], "atom_name": [null, "CA", null, null, "CB", "CG2", null, "OG1", "HG1", null, null], "original_line": ["ROOT", null, "ENDROOT", "BRANCH   1   2", null, null, "BRANCH   2   4", null, null, "ENDBRANCH   2   4", "ENDBRANCH   1   2"]},
-
-"TRP":
-    {"is_atom": [false, true, false, false, true, false, true, true, true, true, true, true, true, true, true, true, false, false], "atom_name": [null, "CA", null, null, "CB", null, "CG", "CD2", "CE2", "CE3", "CZ2", "NE1", "CH2", "CZ3", "HE1", "CD1", null, null], "original_line": ["ROOT", null, "ENDROOT", "BRANCH   1   2", null, "BRANCH   2   3", null, null, null, null, null, null, null, null, null, null, "ENDBRANCH   2   3", "ENDBRANCH   1   2"]},
-
-"CYS":
-    {"is_atom": [false, true, false, false, true, false, true, true, false, false], "atom_name": [null, "CA", null, null, "CB", null, "SG", "HG", null, null], "original_line": ["ROOT", null, "ENDROOT", "BRANCH   1   2", null, "BRANCH   2   3", null, null, "ENDBRANCH   2   3", "ENDBRANCH   1   2"]},
-
-"SER":
-    {"is_atom": [false, true, false, false, true, false, true, true, false, false], "atom_name": [null, "CA", null, null, "CB", null, "OG", "HG", null, null], "original_line": ["ROOT", null, "ENDROOT", "BRANCH   1   2", null, "BRANCH   2   3", null, null, "ENDBRANCH   2   3", "ENDBRANCH   1   2"]},
-
-"ASP":
-    {"is_atom": [false, true, false, false, true, false, true, true, true, false, false], "atom_name": [null, "CA", null, null, "CB", null, "CG", "OD1", "OD2", null, null], "original_line": ["ROOT", null, "ENDROOT", "BRANCH   1   2", null, "BRANCH   2   3", null, null, null, "ENDBRANCH   2   3", "ENDBRANCH   1   2"]},
-
-"HID":
-    {"is_atom": [false, true, false, false, true, false, true, true, true, true, true, true, false, false], "atom_name": [null, "CA", null, null, "CB", null, "CG", "ND1", "HD1", "CE1", "NE2", "CD2", null, null], "original_line": ["ROOT", null, "ENDROOT", "BRANCH   1   2", null, "BRANCH   2   3", null, null, null, null, null, null, "ENDBRANCH   2   3", "ENDBRANCH   1   2"]}
-}
diff --git a/meeko/data/pi_non_aromatic.txt b/meeko/data/pi_non_aromatic.txt
deleted file mode 100644
index ab019df9..00000000
--- a/meeko/data/pi_non_aromatic.txt
+++ /dev/null
@@ -1,50 +0,0 @@
-#
-# PI_PSEUDO_PATTERNS.txt
-#
-# patterns used for building pi pseudo-atoms (centroid, normals) for groups that are *not* aromatic
-# 
-#
-#   SMARTS_PATTERN (space) LABEL  PLANE_IDX     CENTROID_IDX
-#    string         [  ]  string;  int, int,... ; int
-#
-# Indices:
-#   - are 0-based (this could be changed if necessary)
-#   - indices are used to define which atoms in the pattern are used to calculate
-#     centroids and normals; for this reason, they have to be in the order that
-#     defines the vectors Atom1-Atom2, and Atom3-Atom2, so that they do not define
-#     a degenerate plane (see code in geomutils.py)
-#   - centroid idx defines which atom is used used to place the centroid
-#
-#  For example, for guanidine:
-#
-#   [CH2X4][CH2X4][CH2X4][NHX3][CH0X3](=[NH2X3+,NHX2+0,N])[NH2X3] guanidine; 3,4,5,6; 4
-#
-#   atoms used to calculate the plane are:
-#
-#     3:  '[NHX3'
-#     4:  '[CH0X3]'
-#     5:  '(=[NH2X3+,NHX2+0,N])'
-#     6:  '[NH2X3]'
-#
-#   and the centroid is place on atom 4 in the pattern ('[CH0X3]')
-
-
-# TODO this pattern can be improved to recognize better actual guanidine group (i.e., smaller pattern)
-[CH2X4][CH2X4][CH2X4][NHX3][CH0X3](=[NH2X3+,NHX2+0,N])[NH2X3]       guanidine;                      3,6,5,4;    4
-[*]~[CX3](=[OX1])[NX3H2]                                            amide;                          0,3,1,2;    1
-[*]~[CX3](=[OX1])[OH0-,OH]                                          carboxylic/carboxylate;         0,3,1,2;    1
-# this might be approximated because it places the centroid atoms at 90 degrees sharp, but QM might disagree
-[CH2X4][SX2][*]                                                     cys/met;                        1,0,2;      1
-
-
-
-# TODO
-# add delocalized,isolated, double-bonds? (only if they need centroid/normals)
-# add nitro-benzene
-# add benzoic and benzamide (changing first atom in asn/gln pattern
-# the parameter line format might be extended to have a distance value used to set the lenght of the normal vector for different groups
-# IMPORTANT: do we really need centroids for these atoms? by looking at structures, it seem we can get away by 
-#            defining interactions between planar atoms (Np, Op, etc.) and aromatic rings. If so, we could limit the centroid-normals
-#            model to rings to create maps, then define weaker pairwise interactions between planar atoms
-#            As a consequence, this file might become obsolete
-#    
diff --git a/meeko/data/prot_res_params.json b/meeko/data/prot_res_params.json
deleted file mode 100644
index 151d143a..00000000
--- a/meeko/data/prot_res_params.json
+++ /dev/null
@@ -1,3034 +0,0 @@
-{
-    "ambiguous": {
-	"HIS": ["HIE", "HIP", "HID"],
-	"ASP": ["ASH", "ASP"],
-	"GLU": ["GLH", "GLU"],
-	"HOH": ["WAT"], "//": "using HOH as synonym of WAT",
-	"//": "this can't be used for CYS or LYS because the chosen match is that with fewer missing Hs"
-    },
-
-    "TIP3P": { "//": "note that the TIP3P model defines also coordinates",
-	"epsilon":   [ 0.1520,  0.0  ,  0.0  ],
-	"rmin_half": [ 1.7683,  1.0  ,  1.0  ],
-	"q":         [-0.834 ,  0.417,  0.417],
-	"smiles": "O([H])[H]"
-    },
-
-    "MG": {
-        "atom_name":  	    [     "OW"],
-        "atom_type":  	    [     "OA"],
-        "atom_ignore":      [    false],
-        "ad4_epsii":   	    [  0.875  ],
-        "ad4_rii":     	    [  1.3    ],
-        "ad4_sol_vol": 	    [  1.56   ],
-        "ad4_sol_par": 	    [ -0.00110],
-        "ad4_hb_rij":  	    [     null],
-        "ad4_hb_epsij":     [     null],
-        "vina_ri": 	    [  1.2    ],
-        "vina_donor":       [     true],
-        "vina_acceptor":    [    false],
-        "vina_hydrophobic": [    false],
-        "charge":        [  2.0  ],
-	"smiles": "[Mg]"
-    },
-
-    "WAT": {
-        "atom_name":  	    [     "OW",    "HW1",    "HW2"],
-        "atom_type":  	    [     "OA",    "HD" ,    "HD" ],
-        "atom_ignore": 	    [    false,    false,    false],
-        "ad4_epsii":   	    [  0.2    ,  0.02   ,  0.02   ],
-        "ad4_rii":     	    [  3.2    ,  2.0    ,  2.0    ],
-        "ad4_sol_vol": 	    [ 17.1573 ,  0.0    ,  0.0    ],
-        "ad4_sol_par": 	    [ -0.00251,  0.00051,  0.00051],
-        "ad4_hb_rij":  	    [  1.9    ,     true,     true],
-        "ad4_hb_epsij":     [  5.0    ,     true,     true],
-        "vina_ri": 	    [  1.7    ,     null,     null],
-        "vina_donor":       [     true,    false,    false],
-        "vina_acceptor":    [     true,     true,    false],
-        "vina_hydrophobic": [    false,    false,    false],
-        "charge":        [ -0.412  ,  0.206  ,  0.206  ],
-	"smiles": "O([H])[H]"
-    },
-
-    "ALA": {
-        "atom_name": ["C", "O", "CA", "HA", "N", "H", "CB", "HB1", "HB2", "HB3"],
-        "atom_type": ["C", "OA", "C", "H", "N", "HD", "C", "H", "H", "H"],
-	"atom_ignore": [false, false, false, true, false, false, false, true, true, true],
-        "ad4_epsii": [0.15, 0.2, 0.15, 0.0, 0.16, 0.02, 0.15, 0.0, 0.0, 0.0],
-        "ad4_rii": [4.0, 3.2, 4.0, 0.0, 3.5, 2.0, 4.0, 0.0, 0.0, 0.0],
-        "ad4_sol_vol": [33.5103, 17.1573, 33.5103, 0.0, 22.4493, 0.0, 33.5103, 0.0, 0.0, 0.0],
-        "ad4_sol_par": [-0.00143, -0.00251, -0.00143, 0.0, -0.00162, 0.00051, -0.00143, 0.0, 0.0, 0.0],
-        "ad4_hb_rij": [null, 1.9, null, null, null, true, null, null, null, null],
-        "ad4_hb_epsij": [null, 5.0, null, null, null, true, null, null, null, null],
-        "vina_ri": [1.9, 1.7, 1.9, null, 1.8, null, 1.9, null, null, null],
-        "vina_donor": [false, false, false, false, true, false, false, false, false, false],
-        "vina_acceptor": [false, true, false, false, false, false, false, false, false, false],
-        "vina_hydrophobic": [false, false, false, false, false, false, true, false, false, false],
-        "charge": [0.243, -0.272, 0.168, 0.0, -0.344, 0.164, 0.041, 0.0, 0.0, 0.0],
-        "bonds": [
-            [0, 1],
-            [0, 2],
-            [2, 3],
-            [2, 4],
-            [4, 5],
-            [2, 6],
-            [6, 7],
-            [6, 8],
-            [6, 9]
-        ],
-        "bond_cut_atoms": [0, 4],
-        "smiles": "C(=O)C([H])(N[H])C([H])([H])[H]"
-    },
-    "CYS": {
-        "atom_name": ["C", "O", "CA", "HA", "N", "H", "CB", "HB2", "HB3", "SG", "HG"],
-        "atom_type": ["C", "OA", "C", "H", "N", "HD", "C", "H", "H", "SA", "HD"],
-	"atom_ignore": [false, false, false, true, false, false, false, true, true, false, false],
-        "ad4_epsii": [0.15, 0.2, 0.15, 0.0, 0.16, 0.02, 0.15, 0.0, 0.0, 0.2, 0.02],
-        "ad4_rii": [4.0, 3.2, 4.0, 0.0, 3.5, 2.0, 4.0, 0.0, 0.0, 4.0, 2.0],
-        "ad4_sol_vol": [33.5103, 17.1573, 33.5103, 0.0, 22.4493, 0.0, 33.5103, 0.0, 0.0, 33.5103, 0.0],
-        "ad4_sol_par": [-0.00143, -0.00251, -0.00143, 0.0, -0.00162, 0.00051, -0.00143, 0.0, 0.0, -0.00214, 0.00051],
-        "ad4_hb_rij": [null, 1.9, null, null, null, true, null, null, null, 2.5, true],
-        "ad4_hb_epsij": [null, 5.0, null, null, null, true, null, null, null, 1.0, true],
-        "vina_ri": [1.9, 1.7, 1.9, null, 1.8, null, 1.9, null, null, 2.0, null],
-        "vina_donor": [false, false, false, false, true, false, false, false, false, true, false],
-        "vina_acceptor": [false, true, false, false, false, false, false, false, false, false, false],
-        "vina_hydrophobic": [false, false, false, false, false, false, false, false, false, false, false],
-        "charge": [0.243, -0.272, 0.181, 0.0, -0.342, 0.164, 0.101, 0.0, 0.0, -0.177, 0.102],
-        "bonds": [
-            [0, 1],
-            [0, 2],
-            [2, 3],
-            [2, 4],
-            [4, 5],
-            [2, 6],
-            [6, 7],
-            [6, 8],
-            [6, 9],
-            [9, 10]
-        ],
-        "bond_cut_atoms": [0, 4],
-        "smiles": "C(=O)C([H])(N[H])C([H])([H])S[H]"
-    },
-    "CYX": {
-        "atom_name": ["C", "O", "CA", "HA", "N", "H", "CB", "HB2", "HB3", "SG"],
-        "atom_type": ["C", "OA", "C", "H", "N", "HD", "C", "H", "H", "SA"],
-	"atom_ignore": [false, false, false, true, false, false, false, true, true, false],
-        "ad4_epsii": [0.15, 0.2, 0.15, 0.0, 0.16, 0.02, 0.15, 0.0, 0.0, 0.2],
-        "ad4_rii": [4.0, 3.2, 4.0, 0.0, 3.5, 2.0, 4.0, 0.0, 0.0, 4.0],
-        "ad4_sol_vol": [33.5103, 17.1573, 33.5103, 0.0, 22.4493, 0.0, 33.5103, 0.0, 0.0, 33.5103],
-        "ad4_sol_par": [-0.00143, -0.00251, -0.00143, 0.0, -0.00162, 0.00051, -0.00143, 0.0, 0.0, -0.00214],
-        "ad4_hb_rij": [null, 1.9, null, null, null, true, null, null, null, 2.5],
-        "ad4_hb_epsij": [null, 5.0, null, null, null, true, null, null, null, 1.0],
-        "vina_ri": [1.9, 1.7, 1.9, null, 1.8, null, 1.9, null, null, 2.0],
-        "vina_donor": [false, false, false, false, true, false, false, false, false, false],
-        "vina_acceptor": [false, true, false, false, false, false, false, false, false, false],
-        "vina_hydrophobic": [false, false, false, false, false, false, false, false, false, false],
-        "charge": [0.244, -0.272, 0.183, 0.0, -0.343, 0.164, 0.116, 0.0, 0.0, -0.092],
-        "bonds": [
-            [0, 1],
-            [0, 2],
-            [2, 3],
-            [2, 4],
-            [4, 5],
-            [2, 6],
-            [6, 7],
-            [6, 8],
-            [6, 9]
-        ],
-        "bond_cut_atoms": [0, 4, 9],
-        "smiles": "C(=O)C([H])(N[H])C([H])([H])S"
-    },
-    "CYM": {
-        "atom_name": ["C", "O", "CA", "HA", "N", "H", "CB", "HB2", "HB3", "SG"],
-        "atom_type": ["C", "OA", "C", "H", "N", "HD", "C", "H", "H", "SA"],
-	"atom_ignore": [false, false, false, true, false, false, false, true, true, false],
-        "ad4_epsii": [0.15, 0.2, 0.15, 0.0, 0.16, 0.02, 0.15, 0.0, 0.0, 0.2],
-        "ad4_rii": [4.0, 3.2, 4.0, 0.0, 3.5, 2.0, 4.0, 0.0, 0.0, 4.0],
-        "ad4_sol_vol": [33.5103, 17.1573, 33.5103, 0.0, 22.4493, 0.0, 33.5103, 0.0, 0.0, 33.5103],
-        "ad4_sol_par": [-0.00143, -0.00251, -0.00143, 0.0, -0.00162, 0.00051, -0.00143, 0.0, 0.0, -0.00214],
-        "ad4_hb_rij": [null, 1.9, null, null, null, true, null, null, null, 2.5],
-        "ad4_hb_epsij": [null, 5.0, null, null, null, true, null, null, null, 1.0],
-        "vina_ri": [1.9, 1.7, 1.9, null, 1.8, null, 1.9, null, null, 2.0],
-        "vina_donor": [false, false, false, false, true, false, false, false, false, false],
-        "vina_acceptor": [false, true, false, false, false, false, false, false, false, true],
-        "vina_hydrophobic": [false, false, false, false, false, false, false, false, false, false],
-        "charge": [0.24, -0.273, 0.147, 0.0, -0.346, 0.164, -0.144, 0.0, 0.0, -0.788],
-        "bonds": [
-            [0, 1],
-            [0, 2],
-            [2, 3],
-            [2, 4],
-            [4, 5],
-            [2, 6],
-            [6, 7],
-            [6, 8],
-            [6, 9]
-        ],
-        "bond_cut_atoms": [0, 4],
-        "smiles": "C(=O)C([H])(N[H])C([H])([H])[S-]"
-    },
-    "ASP": {
-        "atom_name": ["C", "O", "CA", "HA", "N", "H", "CB", "HB2", "HB3", "CG", "OD1", "OD2"],
-        "atom_type": ["C", "OA", "C", "H", "N", "HD", "C", "H", "H", "C", "OA", "OA"],
-	"atom_ignore": [false, false, false, true, false, false, false, true, true, false, false, false],
-        "ad4_epsii": [0.15, 0.2, 0.15, 0.0, 0.16, 0.02, 0.15, 0.0, 0.0, 0.15, 0.2, 0.2],
-        "ad4_rii": [4.0, 3.2, 4.0, 0.0, 3.5, 2.0, 4.0, 0.0, 0.0, 4.0, 3.2, 3.2],
-        "ad4_sol_vol": [33.5103, 17.1573, 33.5103, 0.0, 22.4493, 0.0, 33.5103, 0.0, 0.0, 33.5103, 17.1573, 17.1573],
-        "ad4_sol_par": [-0.00143, -0.00251, -0.00143, 0.0, -0.00162, 0.00051, -0.00143, 0.0, 0.0, -0.00143, -0.00251, -0.00251],
-        "ad4_hb_rij": [null, 1.9, null, null, null, true, null, null, null, null, 1.9, 1.9],
-        "ad4_hb_epsij": [null, 5.0, null, null, null, true, null, null, null, null, 5.0, 5.0],
-        "vina_ri": [1.9, 1.7, 1.9, null, 1.8, null, 1.9, null, null, 1.9, 1.7, 1.7],
-        "vina_donor": [false, false, false, false, true, false, false, false, false, false, false, false],
-        "vina_acceptor": [false, true, false, false, false, false, false, false, false, false, true, true],
-        "vina_hydrophobic": [false, false, false, false, false, false, true, false, false, false, false, false],
-        "charge": [0.242, -0.273, 0.176, 0.0, -0.343, 0.164, 0.087, 0.0, 0.0, 0.044, -0.548, -0.549],
-        "bonds": [
-            [0, 1],
-            [0, 2],
-            [2, 3],
-            [2, 4],
-            [4, 5],
-            [2, 6],
-            [6, 7],
-            [6, 8],
-            [6, 9],
-            [9, 10],
-            [9, 11]
-        ],
-        "bond_cut_atoms": [0, 4],
-        "smiles": "C(=O)C([H])(N[H])C([H])([H])C(=O)[O-]"
-    },
-    "ASH": {
-        "atom_name": ["C", "O", "CA", "HA", "N", "H", "CB", "HB2", "HB3", "CG", "OD1", "OD2", "HD2"],
-        "atom_type": ["C", "OA", "C", "H", "N", "HD", "C", "H", "H", "C", "OA", "OA", "HD"],
-	"atom_ignore": [false, false, false, true, false, false, false, true, true, false, false, false, false],
-        "ad4_epsii": [0.15, 0.2, 0.15, 0.0, 0.16, 0.02, 0.15, 0.0, 0.0, 0.15, 0.2, 0.2, 0.02],
-        "ad4_rii": [4.0, 3.2, 4.0, 0.0, 3.5, 2.0, 4.0, 0.0, 0.0, 4.0, 3.2, 3.2, 2.0],
-        "ad4_sol_vol": [33.5103, 17.1573, 33.5103, 0.0, 22.4493, 0.0, 33.5103, 0.0, 0.0, 33.5103, 17.1573, 17.1573, 0.0],
-        "ad4_sol_par": [-0.00143, -0.00251, -0.00143, 0.0, -0.00162, 0.00051, -0.00143, 0.0, 0.0, -0.00143, -0.00251, -0.00251, 0.00051],
-        "ad4_hb_rij": [null, 1.9, null, null, null, true, null, null, null, null, 1.9, 1.9, true],
-        "ad4_hb_epsij": [null, 5.0, null, null, null, true, null, null, null, null, 5.0, 5.0, true],
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-        "vina_donor": [false, false, false, false, true, false, false, false, false, false, false, true, false],
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-        "vina_hydrophobic": [false, false, false, false, false, false, true, false, false, true, false, false, false, false, false],
-        "charge": [-0.53, 0.066, -0.53, 0.135, 0.0, -0.324, 0.034, 0.0, 0.0, 0.025, 0.0, 0.0, 0.124, 0.0, 0.0],
-        "bonds": [
-            [0, 1],
-            [1, 2],
-            [1, 3],
-            [3, 4],
-            [3, 5],
-            [3, 6],
-            [6, 7],
-            [6, 8],
-            [6, 9],
-            [9, 10],
-            [9, 11],
-            [9, 12],
-            [12, 13],
-            [12, 14],
-            [12, 5]
-        ],
-        "bond_cut_atoms": [5],
-        "smiles": "[O-]C(=O)C([H])(N1)C([H])([H])C([H])([H])C1([H])[H]"
-    }
-}
diff --git a/meeko/data/residue_params.json b/meeko/data/residue_params.json
deleted file mode 100644
index c9e7690c..00000000
--- a/meeko/data/residue_params.json
+++ /dev/null
@@ -1,1413 +0,0 @@
-{
-  "ALA": {
-        "atom_names": [     "C",     "O",    "CA",    "HA",     "N",     "H",    "CB",   "HB1",   "HB2",   "HB3"],
-        "atom_types": [     "C",    "OA",     "C",     "H",     "N",    "HD",     "C",     "H",     "H",     "H"],
-         "ad4_epsii": [    0.15,    0.20,    0.15,    0.00,    0.16,    0.02,    0.15,    0.00,    0.00,    0.00],
-           "ad4_rii": [    4.00,    3.20,    4.00,    0.00,    3.50,    2.00,    4.00,    0.00,    0.00,    0.00],
-       "ad4_sol_vol": [ 33.5103, 17.1573, 33.5103,  0.0000, 22.4493,  0.0000, 33.5103,  0.0000,  0.0000,  0.0000],
-       "ad4_sol_par": [-0.00143,-0.00251,-0.00143, 0.00000,-0.00162, 0.00051,-0.00143, 0.00000, 0.00000, 0.00000],
-        "ad4_hb_rij": [    null,     1.9,    null,    null,    null,    true,    null,    null,    null,    null],
-      "ad4_hb_epsij": [    null,     5.0,    null,    null,    null,    true,    null,    null,    null,    null],
-           "vina_ri": [     1.9,     1.7,     1.9,    null,     1.8,    null,     1.9,    null,    null,    null],
-        "vina_donor": [   false,   false,   false,   false,    true,   false,   false,   false,   false,   false],
-     "vina_acceptor": [   false,    true,   false,   false,   false,   false,   false,   false,   false,   false],
-  "vina_hydrophobic": [   false,   false,   false,   false,   false,   false,    true,   false,   false,   false],
-         "gasteiger": [   0.243,  -0.272,   0.168,   0.000,  -0.344,   0.164,   0.041,   0.000,   0.000,   0.000],
-             "bonds": [[0, 1], [0, 2], [2, 3], [2, 4], [4, 5], [2, 6], [6, 7], [6, 8], [6, 9]],
-    "bond_cut_atoms": [0, 4]
-  },
-  "CYS": {
-        "atom_names": [     "C",     "O",    "CA",    "HA",     "N",     "H",    "CB",   "HB2",   "HB3",    "SG",    "HG"],
-        "atom_types": [     "C",    "OA",     "C",     "H",     "N",    "HD",     "C",     "H",     "H",    "SA",    "HD"],
-         "ad4_epsii": [    0.15,    0.20,    0.15,    0.00,    0.16,    0.02,    0.15,    0.00,    0.00,    0.20,    0.02],
-           "ad4_rii": [    4.00,    3.20,    4.00,    0.00,    3.50,    2.00,    4.00,    0.00,    0.00,    4.00,    2.00],
-       "ad4_sol_vol": [ 33.5103, 17.1573, 33.5103,  0.0000, 22.4493,  0.0000, 33.5103,  0.0000,  0.0000, 33.5103,  0.0000],
-       "ad4_sol_par": [-0.00143,-0.00251,-0.00143, 0.00000,-0.00162, 0.00051,-0.00143, 0.00000, 0.00000,-0.00214, 0.00051],
-        "ad4_hb_rij": [    null,     1.9,    null,    null,    null,    true,    null,    null,    null,     2.5,    true],
-      "ad4_hb_epsij": [    null,     5.0,    null,    null,    null,    true,    null,    null,    null,     1.0,    true],
-           "vina_ri": [     1.9,     1.7,     1.9,    null,     1.8,    null,     1.9,    null,    null,     2.0,    null],
-        "vina_donor": [   false,   false,   false,   false,    true,   false,   false,   false,   false,    true,   false],
-     "vina_acceptor": [   false,    true,   false,   false,   false,   false,   false,   false,   false,   false,   false],
-  "vina_hydrophobic": [   false,   false,   false,   false,   false,   false,   false,   false,   false,   false,   false],
-         "gasteiger": [   0.243,  -0.272,   0.181,   0.000,  -0.342,   0.164,   0.101,   0.000,   0.000,  -0.177,   0.102],
-             "bonds": [[0, 1], [0, 2], [2, 3], [2, 4], [4, 5], [2, 6], [6, 7], [6, 8], [6, 9], [9, 10]],
-    "bond_cut_atoms": [0, 4]
-  },
-  "CYX": {
-        "atom_names": [     "C",     "O",    "CA",    "HA",     "N",     "H",    "CB",   "HB2",   "HB3",    "SG"],
-        "atom_types": [     "C",    "OA",     "C",     "H",     "N",    "HD",     "C",     "H",     "H",    "SA"],
-         "ad4_epsii": [    0.15,    0.20,    0.15,    0.00,    0.16,    0.02,    0.15,    0.00,    0.00,    0.20],
-           "ad4_rii": [    4.00,    3.20,    4.00,    0.00,    3.50,    2.00,    4.00,    0.00,    0.00,    4.00],
-       "ad4_sol_vol": [ 33.5103, 17.1573, 33.5103,  0.0000, 22.4493,  0.0000, 33.5103,  0.0000,  0.0000, 33.5103],
-       "ad4_sol_par": [-0.00143,-0.00251,-0.00143, 0.00000,-0.00162, 0.00051,-0.00143, 0.00000, 0.00000,-0.00214],
-        "ad4_hb_rij": [    null,     1.9,    null,    null,    null,    true,    null,    null,    null,     2.5],
-      "ad4_hb_epsij": [    null,     5.0,    null,    null,    null,    true,    null,    null,    null,     1.0],
-           "vina_ri": [     1.9,     1.7,     1.9,    null,     1.8,    null,     1.9,    null,    null,     2.0],
-        "vina_donor": [   false,   false,   false,   false,    true,   false,   false,   false,   false,   false],
-     "vina_acceptor": [   false,    true,   false,   false,   false,   false,   false,   false,   false,   false],
-  "vina_hydrophobic": [   false,   false,   false,   false,   false,   false,   false,   false,   false,   false],
-         "gasteiger": [   0.244,  -0.272,   0.183,   0.000,  -0.343,   0.164,   0.116,   0.000,   0.000,  -0.092],
-             "bonds": [[0, 1], [0, 2], [2, 3], [2, 4], [4, 5], [2, 6], [6, 7], [6, 8], [6, 9]],
-    "bond_cut_atoms": [0, 4, 9]
-  },
-  "CYM": {
-        "atom_names": [     "C",     "O",    "CA",    "HA",     "N",     "H",    "CB",   "HB2",   "HB3",    "SG"],
-        "atom_types": [     "C",    "OA",     "C",     "H",     "N",    "HD",     "C",     "H",     "H",    "SA"],
-         "ad4_epsii": [    0.15,    0.20,    0.15,    0.00,    0.16,    0.02,    0.15,    0.00,    0.00,    0.20],
-           "ad4_rii": [    4.00,    3.20,    4.00,    0.00,    3.50,    2.00,    4.00,    0.00,    0.00,    4.00],
-       "ad4_sol_vol": [ 33.5103, 17.1573, 33.5103,  0.0000, 22.4493,  0.0000, 33.5103,  0.0000,  0.0000, 33.5103],
-       "ad4_sol_par": [-0.00143,-0.00251,-0.00143, 0.00000,-0.00162, 0.00051,-0.00143, 0.00000, 0.00000,-0.00214],
-        "ad4_hb_rij": [    null,     1.9,    null,    null,    null,    true,    null,    null,    null,     2.5],
-      "ad4_hb_epsij": [    null,     5.0,    null,    null,    null,    true,    null,    null,    null,     1.0],
-           "vina_ri": [     1.9,     1.7,     1.9,    null,     1.8,    null,     1.9,    null,    null,     2.0],
-        "vina_donor": [   false,   false,   false,   false,    true,   false,   false,   false,   false,   false],
-     "vina_acceptor": [   false,    true,   false,   false,   false,   false,   false,   false,   false,    true],
-  "vina_hydrophobic": [   false,   false,   false,   false,   false,   false,   false,   false,   false,   false],
-         "gasteiger": [   0.240,  -0.273,   0.147,   0.000,  -0.346,   0.164,  -0.144,   0.000,   0.000,  -0.788],
-             "bonds": [[0, 1], [0, 2], [2, 3], [2, 4], [4, 5], [2, 6], [6, 7], [6, 8], [6, 9]],
-    "bond_cut_atoms": [0, 4]
-  },
-  "ASP": {
-        "atom_names": [     "C",     "O",    "CA",    "HA",     "N",     "H",    "CB",   "HB2",   "HB3",    "CG",   "OD1",   "OD2"],
-        "atom_types": [     "C",    "OA",     "C",     "H",     "N",    "HD",     "C",     "H",     "H",     "C",    "OA",    "OA"],
-         "ad4_epsii": [    0.15,    0.20,    0.15,    0.00,    0.16,    0.02,    0.15,    0.00,    0.00,    0.15,    0.20,    0.20],
-           "ad4_rii": [    4.00,    3.20,    4.00,    0.00,    3.50,    2.00,    4.00,    0.00,    0.00,    4.00,    3.20,    3.20],
-       "ad4_sol_vol": [ 33.5103, 17.1573, 33.5103,  0.0000, 22.4493,  0.0000, 33.5103,  0.0000,  0.0000, 33.5103, 17.1573, 17.1573],
-       "ad4_sol_par": [-0.00143,-0.00251,-0.00143, 0.00000,-0.00162, 0.00051,-0.00143, 0.00000, 0.00000,-0.00143,-0.00251,-0.00251],
-        "ad4_hb_rij": [    null,     1.9,    null,    null,    null,    true,    null,    null,    null,    null,     1.9,     1.9],
-      "ad4_hb_epsij": [    null,     5.0,    null,    null,    null,    true,    null,    null,    null,    null,     5.0,     5.0],
-           "vina_ri": [     1.9,     1.7,     1.9,    null,     1.8,    null,     1.9,    null,    null,     1.9,     1.7,     1.7],
-        "vina_donor": [   false,   false,   false,   false,    true,   false,   false,   false,   false,   false,   false,   false],
-     "vina_acceptor": [   false,    true,   false,   false,   false,   false,   false,   false,   false,   false,    true,    true],
-  "vina_hydrophobic": [   false,   false,   false,   false,   false,   false,    true,   false,   false,   false,   false,   false],
-         "gasteiger": [   0.242,  -0.273,   0.176,   0.000,  -0.343,   0.164,   0.087,   0.000,   0.000,   0.044,  -0.548,  -0.549],
-             "bonds": [[0, 1], [0, 2], [2, 3], [2, 4], [4, 5], [2, 6], [6, 7], [6, 8], [6, 9], [9, 10], [9, 11]],
-    "bond_cut_atoms": [0, 4]
-  },
-  "ASH": {
-        "atom_names": [     "C",     "O",    "CA",    "HA",     "N",     "H",    "CB",   "HB2",   "HB3",    "CG",   "OD1",   "OD2",   "HD2"],
-        "atom_types": [     "C",    "OA",     "C",     "H",     "N",    "HD",     "C",     "H",     "H",     "C",    "OA",    "OA",    "HD"],
-         "ad4_epsii": [    0.15,    0.20,    0.15,    0.00,    0.16,    0.02,    0.15,    0.00,    0.00,    0.15,    0.20,    0.20,    0.02],
-           "ad4_rii": [    4.00,    3.20,    4.00,    0.00,    3.50,    2.00,    4.00,    0.00,    0.00,    4.00,    3.20,    3.20,    2.00],
-       "ad4_sol_vol": [ 33.5103, 17.1573, 33.5103,  0.0000, 22.4493,  0.0000, 33.5103,  0.0000,  0.0000, 33.5103, 17.1573, 17.1573,  0.0000],
-       "ad4_sol_par": [-0.00143,-0.00251,-0.00143, 0.00000,-0.00162, 0.00051,-0.00143, 0.00000, 0.00000,-0.00143,-0.00251,-0.00251, 0.00051],
-        "ad4_hb_rij": [    null,     1.9,    null,    null,    null,    true,    null,    null,    null,    null,     1.9,     1.9,    true],
-      "ad4_hb_epsij": [    null,     5.0,    null,    null,    null,    true,    null,    null,    null,    null,     5.0,     5.0,    true],
-           "vina_ri": [     1.9,     1.7,     1.9,    null,     1.8,    null,     1.9,    null,    null,     1.9,     1.7,     1.7,    null],
-        "vina_donor": [   false,   false,   false,   false,    true,   false,   false,   false,   false,   false,   false,    true,   false],
-     "vina_acceptor": [   false,    true,   false,   false,   false,   false,   false,   false,   false,   false,    true,    true,   false],
-  "vina_hydrophobic": [   false,   false,   false,   false,   false,   false,    true,   false,   false,   false,   false,   false,   false],
-         "gasteiger": [   0.242,  -0.273,   0.182,   0.000,  -0.342,   0.164,   0.157,   0.000,   0.000,   0.305,  -0.252,  -0.479,   0.296],
-             "bonds": [[0, 1], [0, 2], [2, 3], [2, 4], [4, 5], [2, 6], [6, 7], [6, 8], [6, 9], [9, 10], [9, 11], [11, 12]],
-    "bond_cut_atoms": [0, 4]
-  },
-  "GLU": {
-        "atom_names": [     "C",     "O",    "CA",    "HA",     "N",     "H",    "CB",   "HB2",   "HB3",    "CG",   "HG2",   "HG3",    "CD",   "OE1",   "OE2"],
-        "atom_types": [     "C",    "OA",     "C",     "H",     "N",    "HD",     "C",     "H",     "H",     "C",     "H",     "H",     "C",    "OA",    "OA"],
-         "ad4_epsii": [    0.15,    0.20,    0.15,    0.00,    0.16,    0.02,    0.15,    0.00,    0.00,    0.15,    0.00,    0.00,    0.15,    0.20,    0.20],
-           "ad4_rii": [    4.00,    3.20,    4.00,    0.00,    3.50,    2.00,    4.00,    0.00,    0.00,    4.00,    0.00,    0.00,    4.00,    3.20,    3.20],
-       "ad4_sol_vol": [ 33.5103, 17.1573, 33.5103,  0.0000, 22.4493,  0.0000, 33.5103,  0.0000,  0.0000, 33.5103,  0.0000,  0.0000, 33.5103, 17.1573, 17.1573],
-       "ad4_sol_par": [-0.00143,-0.00251,-0.00143, 0.00000,-0.00162, 0.00051,-0.00143, 0.00000, 0.00000,-0.00143, 0.00000, 0.00000,-0.00143,-0.00251,-0.00251],
-        "ad4_hb_rij": [    null,     1.9,    null,    null,    null,    true,    null,    null,    null,    null,    null,    null,    null,     1.9,     1.9],
-      "ad4_hb_epsij": [    null,     5.0,    null,    null,    null,    true,    null,    null,    null,    null,    null,    null,    null,     5.0,     5.0],
-           "vina_ri": [     1.9,     1.7,     1.9,    null,     1.8,    null,     1.9,    null,    null,     1.9,    null,    null,     1.9,     1.7,     1.7],
-        "vina_donor": [   false,   false,   false,   false,    true,   false,   false,   false,   false,   false,   false,   false,   false,   false,   false],
-     "vina_acceptor": [   false,    true,   false,   false,   false,   false,   false,   false,   false,   false,   false,   false,   false,    true,    true],
-  "vina_hydrophobic": [   false,   false,   false,   false,   false,   false,    true,   false,   false,    true,   false,   false,   false,   false,   false],
-         "gasteiger": [   0.242,  -0.273,   0.171,   0.000,  -0.344,   0.164,   0.041,   0.000,   0.000,   0.055,   0.000,   0.000,   0.041,  -0.548,  -0.549],
-             "bonds": [[0, 1], [0, 2], [2, 3], [2, 4], [4, 5], [2, 6], [6, 7], [6, 8], [6, 9], [9, 10], [9, 11], [9, 12], [12, 13], [12, 14]],
-    "bond_cut_atoms": [0, 4]
-  },
-  "GLH": {
-        "atom_names": [     "C",     "O",    "CA",    "HA",     "N",     "H",    "CB",   "HB2",   "HB3",    "CG",   "HG2",   "HG3",    "CD",   "OE1",   "OE2",   "HE2"],
-        "atom_types": [     "C",    "OA",     "C",     "H",     "N",    "HD",     "C",     "H",     "H",     "C",     "H",     "H",     "C",    "OA",    "OA",    "HD"],
-         "ad4_epsii": [    0.15,    0.20,    0.15,    0.00,    0.16,    0.02,    0.15,    0.00,    0.00,    0.15,    0.00,    0.00,    0.15,    0.20,    0.20,    0.02],
-           "ad4_rii": [    4.00,    3.20,    4.00,    0.00,    3.50,    2.00,    4.00,    0.00,    0.00,    4.00,    0.00,    0.00,    4.00,    3.20,    3.20,    2.00],
-       "ad4_sol_vol": [ 33.5103, 17.1573, 33.5103,  0.0000, 22.4493,  0.0000, 33.5103,  0.0000,  0.0000, 33.5103,  0.0000,  0.0000, 33.5103, 17.1573, 17.1573,  0.0000],
-       "ad4_sol_par": [-0.00143,-0.00251,-0.00143, 0.00000,-0.00162, 0.00051,-0.00143, 0.00000, 0.00000,-0.00143, 0.00000, 0.00000,-0.00143,-0.00251,-0.00251, 0.00051],
-        "ad4_hb_rij": [    null,     1.9,    null,    null,    null,    true,    null,    null,    null,    null,    null,    null,    null,     1.9,     1.9,    true],
-      "ad4_hb_epsij": [    null,     5.0,    null,    null,    null,    true,    null,    null,    null,    null,    null,    null,    null,     5.0,     5.0,    true],
-           "vina_ri": [     1.9,     1.7,     1.9,    null,     1.8,    null,     1.9,    null,    null,     1.9,    null,    null,     1.9,     1.7,     1.7,    null],
-        "vina_donor": [   false,   false,   false,   false,    true,   false,   false,   false,   false,   false,   false,   false,   false,   false,    true,   false],
-     "vina_acceptor": [   false,    true,   false,   false,   false,   false,   false,   false,   false,   false,   false,   false,   false,    true,    true,   false],
-  "vina_hydrophobic": [   false,   false,   false,   false,   false,   false,    true,   false,   false,    true,   false,   false,   false,   false,   false,   false],
-         "gasteiger": [   0.242,  -0.273,   0.171,   0.000,  -0.344,   0.164,   0.047,   0.000,   0.000,   0.125,   0.000,   0.000,   0.303,  -0.252,  -0.479,   0.296],
-             "bonds": [[0, 1], [0, 2], [2, 3], [2, 4], [4, 5], [2, 6], [6, 7], [6, 8], [6, 9], [9, 10], [9, 11], [9, 12], [12, 13], [12, 14], [14, 15]],
-    "bond_cut_atoms": [0, 4]
-  },
-  "PHE": {
-        "atom_names": [     "C",     "O",    "CA",    "HA",     "N",     "H",    "CB",   "HB2",   "HB3",    "CG",   "CD1",   "HD1",   "CE1",   "HE1",    "CZ",    "HZ",   "CE2",   "HE2",   "CD2",   "HD2"],
-        "atom_types": [     "C",    "OA",     "C",     "H",     "N",    "HD",     "C",     "H",     "H",     "A",     "A",     "H",     "A",     "H",     "A",     "H",     "A",     "H",     "A",     "H"],
-         "ad4_epsii": [    0.15,    0.20,    0.15,    0.00,    0.16,    0.02,    0.15,    0.00,    0.00,    0.15,    0.15,    0.00,    0.15,    0.00,    0.15,    0.00,    0.15,    0.00,    0.15,    0.00],
-           "ad4_rii": [    4.00,    3.20,    4.00,    0.00,    3.50,    2.00,    4.00,    0.00,    0.00,    4.00,    4.00,    0.00,    4.00,    0.00,    4.00,    0.00,    4.00,    0.00,    4.00,    0.00],
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-        "ad4_hb_rij": [    null,     1.9,    null,    null,    null,    null,    null,    null,    null,    null,    null,    null,    null,    null,     1.9],
-      "ad4_hb_epsij": [    null,     5.0,    null,    null,    null,    null,    null,    null,    null,    null,    null,    null,    null,    null,     5.0],
-           "vina_ri": [     1.9,     1.7,     1.9,    null,     1.8,     1.9,    null,    null,     1.9,    null,    null,     1.9,    null,    null,     1.7],
-        "vina_donor": [   false,   false,   false,   false,   false,   false,   false,   false,   false,   false,   false,   false,   false,   false,   false],
-     "vina_acceptor": [   false,    true,   false,   false,   false,   false,   false,   false,   false,   false,   false,   false,   false,   false,    true],
-  "vina_hydrophobic": [   false,   false,   false,   false,   false,    true,   false,   false,    true,   false,   false,   false,   false,   false,   false],
-         "gasteiger": [   0.066,  -0.530,   0.135,   0.000,  -0.324,   0.034,   0.000,   0.000,   0.025,   0.000,   0.000,   0.124,   0.000,   0.000,  -0.530],
-             "bonds": [[14, 0], [0, 1], [0, 2], [2, 3], [2, 4], [2, 5], [5, 6], [5, 7], [5, 8], [8, 9], [8, 10], [8, 11], [11, 12], [11, 13], [11, 4]],
-    "bond_cut_atoms": [4]
-  }
-}
diff --git a/meeko/data/waterfield.txt b/meeko/data/waterfield.txt
deleted file mode 100644
index b0469900..00000000
--- a/meeko/data/waterfield.txt
+++ /dev/null
@@ -1,101 +0,0 @@
-#
-# Water Forcefield 0.1.1
-#
-
-# Hydrogen
-## H
-#ATOM H_000    1   0.000 1 1 1.8 [#1] # all hydrogens
-
-## HC
-ATOM H_C_000  0   0.000 1 1 1.8 [#1][#6] # all CH
-ATOM H_C_001  1   0.500 1 1 1.8 [#1][#6;X2] # acetylene
-ATOM H_C_002  1   0.250 1 1 1.8 [#1][#6;X3] # ethylene / benzene
-ATOM H_C_003  1   0.120 1 1 1.8 [#1][#6;X4] # methane
-
-## OH
-ATOM H_O_000  1   0.000 1 1 1.8 [#1][#8] # general hydroxyl (OH)
-ATOM H_O_001  1   1.100 1 1 1.8 [#1;X1][#8;X2;v2] # other hydroxyl
-ATOM H_O_002  1   1.500 1 1 1.8 [#1;X1][#8;X2;v2;H1][a] # Ar-OH (phenol-like)
-ATOM H_O_003  1   1.500 1 1 1.8 [#1;X1][#8;X2;v2;H1]-[#6;X3;v4]=[#8;X1;v2] # carboxylate H
-# ATOM H_O_004  1   1.000 1 1 1.8 [] # hydrogen of TIP5P water molecule
-
-## HN
-ATOM H_N_000  1   0.000 1 1 1.8 [#1][#7] # general NH
-ATOM H_N_001  1   0.500 1 1 1.8 [#1;X1][#7;X3;v3] # amine
-ATOM H_N_002  1   0.800 1 1 1.8 [#1;X1][#7;X2;v3] # nitrogen sp2 (guanidine, immine)
-ATOM H_N_003  1   0.800 1 1 1.8 [#1;X1][#7;X3;v3][a] # aniline (matches pyrrole, which follows)
-ATOM H_N_004  1   1.300 1 1 1.8 [#1;X1][#7;a;X3;v3;H1] # aromatic nitrogen (pyrrole)
-ATOM H_N_005  1   1.100 1 1 1.8 [#1;X1][#7;X3;v3][#6;X3;v4]=[#8;X1;v2] # amide nitrogen donor (overrides pyrrole)
-
-## HS
-ATOM H_S_000  1   0.000 1 1 1.8 [#1][#16] # default SH
-ATOM H_S_001  1   0.500 1 1 1.8 [#1;X1][#16;X2;v2] # -SH (general thiol)
-ATOM H_S_002  1   0.700 1 1 1.8 [#1;X1][#16;X2;v2;H1][a] # Ar-SH (benzenethiol-like)
-
-# Oxygen
-## O
-ATOM O_000     2   0.000 2 2 2.8 [#8] # all oxygens
-ATOM O_001     2   0.900 2 2 2.8 [#8;X1;v2]=[#6;X3;v4][*] # in acetone / ester(sp2) / aldehyde
-ATOM O_002     2   0.900 2 2 2.8 [#8;X1;v2]=[#6;X3;v4]([#6])[#6,#1] # in acetone / aldehyde
-ATOM O_003     2   0.900 2 2 2.8 [#8;X1;v2]=[#6;X3;v4]([a]) # acetophenone
-ATOM O_004     2   1.200 2 2 2.8 [#8;X1;v2]=[#6;X3;v4]([#7;X3;v3]) # in amide
-ATOM O_006     2   0.600 3 2 2.8 [#8;X2;v2]([!a])[a] # in phenol / anisole 
-ATOM O_007     2   0.800 3 2 2.8 [#8;X2;v2]([!a])[!a] # in ether (matches hydroxyl/ester(sp3), which follows)
-ATOM O_008     2   0.900 3 2 2.8 [#8;X2;v2;H1][!a;!N] # in aliphatic hydroxyl (errnsly match nitro/carboxy)
-ATOM O_005     0   0.500 0 0 0.0 [#8;X2;v2](-[*])[#6;X3;v4]=[#8;X1;v2] # in ester(sp3) / acetic acid (sp3)
-ATOM O_009     0   0.600 0 0 0.0 [#8;X2;v2]([a])[a] # aromatic oxygen / aromatic ether
-
-## ON
-ATOM O_011_1   2   0.800 2 2 2.8 [#8;X1]~[#7;X3](~[#8;X1]) # nitro group (any)
-ATOM O_011_2   2   0.800 2 2 2.8 [#8;X1]~[#7;X3](~[#8;X2;H1])
-ATOM O_012_1   2   0.800 2 2 2.8 [#8;X2;H1]~[#7;X3](~[#8;X1])~[C] # nitro group (aliphatic)
-ATOM O_012_2   2   0.800 2 2 2.8 [#8;X1]~[#7;X3](~[#8;X2;H1])~[C]
-ATOM O_013_1   2   0.800 2 2 2.8 [#8;X1]~[#7](~[#8;X1])~[c] # nitro group (aromatic)
-ATOM O_013_2   2   0.800 2 2 2.8 [#8;X1]~[#7](~[#8;X2;H1])~[c]
-ATOM O_019     2   0.600 3 2 2.8 [#8;X2]([#7])[!#1] # ether oxygen in nitrate (NO3)
-
-## OS
-ATOM O_S_000   0   0.000 0 0 0.0 [#8]~[#16] # All O-S
-ATOM O_S_001   2   1.400 2 3 2.8 [#8;X1]~[#16;X3] # DMSO (the bond is not always double in openbabel/mol2 files)
-ATOM O_S_002   2   1.000 2 3 2.8 [#8;X1]~[#16]~[#8;X1] # Sulfone S(=O)(=O)(C)C / sulfonate S(=O)(=O)(OC)C
-ATOM O_S_003   2   0.600 2 3 2.8 [#8;X1]~[#16]([#8;X2])([#8;X2])~[#8;X1] # Sulfate (S(=O)(=O)(OC)OC)
-ATOM O_S_004   0   0.750 0 0 0.0 [#8;X2]~[#16] # sulfate/sulfone ether-like oxygen
-
-## OP
-ATOM O_P_000   0   0.000 0 0 0.0 [#8]~[#15]
-ATOM O_P_001   2   0.000 2 3 2.8 [#8;X1]~[#15]
-ATOM O_P_002   2   1.200 2 3 2.8 [#8]=[#15]
-ATOM O_P_003   0   0.750 0 0 0.0 [#8]-[#15]
-
-## O Lone pairs
-# ATOM O_L_000   2   1.000 1 1 2.1 [] # Lone pair of TIP5P water molecule
-
-# Nitrogen
-ATOM N_000     0   0.000 0 0 0.0 [#7] # any nitrogen
-ATOM N_001     2   0.900 1 1 2.8 [#7;X1;v3]#[#6;X2;v4] # nitrile
-ATOM N_002     2   1.200 2 1 2.8 [#7;X2;v3]=[*] # in immine
-ATOM N_003     2   1.200 2 1 2.8 [#7;X2;v3]([a])([a]) # in pyridine
-ATOM N_004     2   1.200 3 1 2.8 [#7;X3;v3][!a] # aliphatic amine, ammonia, hydrazine
-ATOM N_005     0   0.000 0 0 0.0 [#7;X3;v3][a] # revert anilines erroneously matched in previous smarts
-ATOM N_006     0   0.000 0 0 0.0 [#7;X3;v3][#6;X3;v4]=[#8;X1;v2] # revert amides from N_004
-
-# Sulfur
-ATOM S_000     0   0.000 0 0 0.0 [#16] # any sulfur (in sulfones, sulfates, dmso, therefore weight=0)
-ATOM S_001     2   0.500 3 2 2.8 [#16;X2;v2] # generic sp3 sulfur (thioether)
-ATOM S_002     0   0.000 0 0 0.0 [#16;X2;v2]([a])[a] # thiophene
-ATOM S_003_1   2   0.700 3 2 2.8 [#16;X2;v2]([C;X4;v4])[C;X4;v4] # thioether bound to two sp3 carbons or methanethiol
-ATOM S_003_2   2   0.700 3 2 2.8 [#16;X2;v2]([C;X4;v4])[#1]
-ATOM S_004     2   0.700 2 3 2.8 [#16;X2;v2;h] # thioketone (in FreeSolv-0.5 occurs as P=S)
-
-# Carbon
-ATOM C_000     0   0.000 0 0 0.0 [#6] # any carbon
-ATOM C_001     0   0.300 0 0 0.0 [#6;X2;v4] # sp carbon
-ATOM C_002     0   0.300 0 0 0.0 [#6;X3;v4] # sp2 carbon
-ATOM C_003     0   0.400 0 0 0.0 [#6;X3;v4;a] # aromatic carbon
-
-# Halogen
-ATOM CL_000    0   0.400 3 1 2.8 [#17] # any chlorine
-ATOM F_000     0   0.400 3 1 2.8 [#9] # any fluorine
-ATOM BR_000    0   0.400 3 1 2.8 [#35] # any bromine
-ATOM I_000     0   0.400 3 1 2.8 [#53] # any iodine
-ATOM P_000     0   0.000 0 0 0.0 [#15] # any phosphorus
diff --git a/meeko/receptor_pdbqt.py b/meeko/receptor_pdbqt.py
index b87ad3dd..8f2f79f6 100644
--- a/meeko/receptor_pdbqt.py
+++ b/meeko/receptor_pdbqt.py
@@ -7,8 +7,6 @@
 from collections import defaultdict
 import json
 from os import linesep as os_linesep
-import pathlib
-import sys
 
 import numpy as np
 from scipy import spatial
@@ -17,25 +15,6 @@
 from .utils.autodock4_atom_types_elements import autodock4_atom_types_elements
 from .reactive import get_reactive_atype
 
-pkg_dir = pathlib.Path(__file__).parents[0]
-with open(pkg_dir / "data" / "residue_params.json") as f:
-    residue_params = json.load(f)
-with open(pkg_dir / "data" / "flexres_templates.json") as f:
-    flexres_templates = json.load(f)
-# the above is controversial, see
-# https://stackoverflow.com/questions/6028000/how-to-read-a-static-file-from-inside-a-python-package
-
-def _write_pdbqt_line(atomidx, x, y, z, charge, atom_name, res_name, res_num, atom_type, chain,
-                      alt_id=" ", in_code="", occupancy=1.0, temp_factor=0.0, record_type="ATOM"):
-    if len(atom_name) > 4:
-        raise ValueError("max length of atom_name is 4 but atom name is %s" % atom_name)
-    atom_name = "%-3s" % atom_name
-    line = "{:6s}{:5d} {:4s}{:1s}{:3s} {:1s}{:4d}{:1s}   {:8.3f}{:8.3f}{:8.3f}{:6.2f}{:6.2f}    {:6.3f} {:<2s}"
-    line += os_linesep
-    return line.format(record_type, atomidx, atom_name, alt_id, res_name, chain,
-                   res_num, in_code, x, y, z,
-                   occupancy, temp_factor, charge, atom_type)
-
 
 atom_property_definitions = {'H': 'vdw', 'C': 'vdw', 'A': 'vdw', 'N': 'vdw', 'P': 'vdw', 'S': 'vdw',
                              'Br': 'vdw', 'I': 'vdw', 'F': 'vdw', 'Cl': 'vdw',
@@ -127,7 +106,6 @@ def _identify_bonds(atom_idx, positions, atom_types):
 
 class PDBQTReceptor:
 
-    flexres_templates = flexres_templates
     skip_types=("H",)
 
     def __init__(self, pdbqt_string, skip_typing=False):
@@ -172,210 +150,6 @@ def get_atom_indices_by_residue(atoms):
             atom_idx_by_res[res_id].append(atom_index)
         return atom_idx_by_res
 
-    @staticmethod
-    def get_params_for_residue(resname, atom_names, residue_params=residue_params):
-        excluded_params = ("atom_names", "bond_cut_atoms", "bonds")
-        atom_params = {}
-        atom_counter = 0
-        err = ""
-        ok = True
-        is_matched = False
-        for terminus in ["", "N", "C"]: # e.g. "CTYR" for C-term TYR, hard-coded in residue_params
-            r_id = "%s%s" % (terminus, resname)
-            if r_id not in residue_params:
-                err = "residue %s not in residue_params" % r_id + os_linesep
-                ok = False
-                return atom_params, ok, err
-            ref_names = set(residue_params[r_id]["atom_names"])
-            query_names = set(atom_names)
-            if ref_names == query_names:
-                is_matched = True
-                break
-
-        if not is_matched:
-            ok = False
-            err = "residue %s did not match residue_params" % r_id + os_linesep
-            err += "ref_names: %s" % ref_names + os_linesep 
-            err += "query_names: %s" % query_names + os_linesep 
-            return atom_params, ok, err
-
-        for atom_name in atom_names:
-            name_index = residue_params[r_id]["atom_names"].index(atom_name)
-            for param in residue_params[r_id].keys():
-                if param in excluded_params:
-                    continue
-                if param not in atom_params:
-                    atom_params[param] = [None] * atom_counter
-                value = residue_params[r_id][param][name_index]
-                atom_params[param].append(value)
-            atom_counter += 1
-
-        return atom_params, ok, err
-
-    def assign_types_charges(self, residue_params=residue_params):
-        wanted_params = ("atom_types", "gasteiger")
-        atom_params = {key: [] for key in wanted_params}
-        ok = True
-        err = ""
-        for r_id, atom_indices in self.atom_idxs_by_res.items():
-            atom_names = tuple(self.atoms(atom_indices)["name"])
-            resname = r_id[1]
-            params_this_res, ok_, err_ = self.get_params_for_residue(resname, atom_names, residue_params)
-            ok &= ok_
-            err += err_
-            if not ok_:
-                print("did not match %s with template" % str(r_id), file=sys.stderr)
-                continue
-            for key in wanted_params:
-                atom_params[key].extend(params_this_res[key])
-        if ok:
-            self._atoms["partial_charges"] = atom_params["gasteiger"]
-            self._atoms["atom_type"] = atom_params["atom_types"]
-        return ok, err
-
-    def write_flexres_from_template(self, res_id, atom_index=0):
-        success = True
-        error_msg = ""
-        branch_offset = atom_index # templates assume first atom is 1
-        output = {"pdbqt": "", "flex_indices": [], "atom_index": atom_index}
-        resname = res_id[1]
-        if resname not in self.flexres_templates:
-            success = False
-            error_msg = "no flexible residue template for resname %s, sorry" % resname
-            return output, success, error_msg
-        if res_id not in self.atom_idxs_by_res:
-            success = False
-            chains = set(self._atoms["chain"])
-            error_msg += "could not find residue with chain='%s', resname=%s, resnum=%d" % res_id + os_linesep
-            error_msg += "chains in this receptor: %s" % ", ".join("'%s'" % c for c in chains) + os_linesep
-            if " " in chains: # should not happen because we use strip() when parsing the chain
-                error_msg += "use ' ' (a space character) for empty chain" + os_linesep
-            if "" in chains:
-                error_msg += "use '' (empty string) for empty chain" + os_linesep
-            return output, success, error_msg
-
-        # collect lines of res_id
-        atoms_by_name = {}
-        for i in self.atom_idxs_by_res[res_id]:
-            name = self._atoms[i]["name"]
-            if name in ['C', 'N', 'O', 'H', 'H1', 'H2', 'H3', 'OXT']: # skip backbone atoms
-                continue
-            atype = self._atoms[i]["atom_type"]
-            if atype in self.skip_types:
-                continue
-            output["flex_indices"].append(i)
-            atoms_by_name[name] = self.atoms(i)
-
-        # check it was a full match
-        template = self.flexres_templates[resname]
-        got_atoms = set(atoms_by_name)
-        ref_atoms = set()
-        for i in range(len(template["is_atom"])):
-            if template["is_atom"][i]:
-                ref_atoms.add(template["atom_name"][i])
-        if got_atoms != ref_atoms:
-            success = False
-            error_msg += "mismatch in atom names for residue %s" % str(res_id) + os_linesep
-            error_msg += "names found but not in template: %s" % str(got_atoms.difference(ref_atoms)) + os_linesep
-            error_msg += "missing names: %s" % str(ref_atoms.difference(got_atoms)) + os_linesep
-            return output, success, error_msg
-
-        # create output string
-        n_lines = len(template['is_atom'])
-        for i in range(n_lines):
-            if template['is_atom'][i]:
-                atom_index += 1
-                name = template['atom_name'][i]
-                atom = atoms_by_name[name]
-                if atom["atom_type"] not in self.skip_types:
-                    atom["serial"] = atom_index
-                    output["pdbqt"] += self.write_pdbqt_line(atom)
-            else:
-                line = template['original_line'][i]
-                if branch_offset > 0 and (line.startswith("BRANCH") or line.startswith("ENDBRANCH")):
-                    keyword, i, j = line.split()
-                    i = int(i) + branch_offset
-                    j = int(j) + branch_offset
-                    line = "%s %3d %3d" % (keyword, i, j)
-                output["pdbqt"] += line + os_linesep # e.g. BRANCH keywords
-
-        output["atom_index"] = atom_index
-        return output, success, error_msg
-
-    @staticmethod
-    def write_pdbqt_line(atom):
-        return _write_pdbqt_line(atom["serial"], atom["xyz"][0], atom["xyz"][1], atom["xyz"][2],
-                                 atom["partial_charges"], atom["name"], atom["resname"],
-                                 atom["resid"], atom["atom_type"], atom["chain"],
-                                 atom["alt_id"], atom["in_code"], atom["occupancy"],
-                                 atom["temp_factor"], atom["record_type"])
-
-
-    def write_pdbqt_string(self, flexres=()):
-        ok = True
-        err = ""
-        pdbqt = {"rigid": "",
-                 "flex":  {},
-                 "flex_indices": []}
-        atom_index = 0
-        for res_id in set(flexres):
-            output, ok_, err_ = self.write_flexres_from_template(res_id, atom_index)
-            atom_index = output["atom_index"] # next residue starts here
-            ok &= ok_
-            err += err_
-            pdbqt["flex_indices"].extend(output["flex_indices"])
-            pdbqt["flex"][res_id] = ""
-            pdbqt["flex"][res_id] += "BEGIN_RES %3s %1s%4d" % (res_id) + os_linesep
-            pdbqt["flex"][res_id] += output["pdbqt"]
-            pdbqt["flex"][res_id] += "END_RES %3s %1s%4d" % (res_id) + os_linesep
-
-        # use non-flex lines for rigid part
-        for i, atom in enumerate(self._atoms):
-            if i not in pdbqt["flex_indices"] and atom["atom_type"] not in self.skip_types:
-                pdbqt["rigid"] += self.write_pdbqt_line(atom)
-
-        return pdbqt, ok, err
-
-    @staticmethod
-    def make_flexres_reactive(pdbqtstr, reactive_name, resname, prefix_atype="", residue_params=residue_params):
-        atom_names = residue_params[resname]["atom_names"]
-        bonds = residue_params[resname]["bonds"]
-        def get_neigh(idx, bonds):
-            neigh = set()
-            for (i, j) in bonds:
-                if i == idx:
-                    neigh.add(j)
-                elif j == idx:
-                    neigh.add(i)
-            return neigh
-        react_idx = atom_names.index(reactive_name)
-        one_bond_away = get_neigh(react_idx, bonds)
-        two_bond_away = set()
-        for i in one_bond_away:
-            for j in get_neigh(i, bonds):
-                if (j != react_idx) and (j not in one_bond_away):
-                    two_bond_away.add(j)
-        names_1bond = [atom_names[i] for i in one_bond_away]
-        names_2bond = [atom_names[i] for i in two_bond_away]
-        new_pdbqt_str = ""
-        for i, line in enumerate(pdbqtstr.split(os_linesep)[:-1]):
-            if line.startswith("ATOM") or line.startswith("HETATM"):
-                name = line[12:16].strip()
-                atype = line[77:].strip()
-                if name == reactive_name:
-                    new_type = prefix_atype + get_reactive_atype(atype, 1)
-                elif name in names_1bond:
-                    new_type = prefix_atype + get_reactive_atype(atype, 2)
-                elif name in names_2bond:
-                    new_type = prefix_atype + get_reactive_atype(atype, 3)
-                else:
-                    new_type = atype
-                new_pdbqt_str += line[:77] + new_type + os_linesep
-            else:
-                new_pdbqt_str += line + os_linesep
-        return new_pdbqt_str
-
-
     def atoms(self, atom_idx=None):
         """Return the atom i
 

From 0b5a69357e8677ee082720bfaaee4b9682cc19a8 Mon Sep 17 00:00:00 2001
From: diogom <diogom@scripps.edu>
Date: Tue, 5 Nov 2024 00:17:44 -0800
Subject: [PATCH 162/166] easy creation of ResidueChemTemplates

templates = ResidueChemTemplates.create_from_defaults()
templates.add_json_file("NAKB_templates")
---
 meeko/polymer.py                | 90 +++++++++++++++++++++++++++------
 scripts/mk_prepare_receptor.py  | 27 ++--------
 test/flexres_export_test.py     |  6 +--
 test/json_serialization_test.py |  5 +-
 test/polymer_creation_test.py   |  5 +-
 5 files changed, 82 insertions(+), 51 deletions(-)

diff --git a/meeko/polymer.py b/meeko/polymer.py
index 91b09197..2bf36ede 100644
--- a/meeko/polymer.py
+++ b/meeko/polymer.py
@@ -2,6 +2,7 @@
 import json
 import logging
 import traceback
+from importlib import resources
 from os import linesep as os_linesep
 from sys import exc_info
 from typing import Union
@@ -30,6 +31,7 @@
 
 import numpy as np
 
+data_path = resources.files("meeko.data")
 periodic_table = Chem.GetPeriodicTable()
 
 try:
@@ -591,28 +593,86 @@ def from_dict(cls, alldata):
         as input to allow users to modify the input dict in Python
         """
 
-        # alldata = json.loads(json_string)
-        ambiguous = alldata["ambiguous"]
+        ambiguous = {k: v.copy() for k, v in alldata["ambiguous"].items()}
         residue_templates = {}
         padders = {}
         for key, data in alldata["residue_templates"].items():
-            link_labels = None
-            if "link_labels" in data:
-                link_labels = {
-                    int(key): value for key, value in data["link_labels"].items()
-                }
-            # print(key)
-            res_template = ResidueTemplate(
-                data["smiles"], link_labels, data.get("atom_name", None)
-            )
+            res_template = cls.residue_template_from_dict(data)
             residue_templates[key] = res_template
         for link_label, data in alldata["padders"].items():
-            rxn_smarts = data["rxn_smarts"]
-            adjacent_res_smarts = data.get("adjacent_res_smarts", None)
-            auto_blunt = data.get("auto_blunt", False)
-            padders[link_label] = ResiduePadder(rxn_smarts, adjacent_res_smarts, auto_blunt)
+            padders[link_label] = cls.padder_from_dict(data)
         return cls(residue_templates, padders, ambiguous)
 
+    @staticmethod
+    def residue_template_from_dict(data):
+        if "link_labels" in data:
+            link_labels = {int(k): v for k, v in data["link_labels"].items()}
+        else:
+            link_labels = None
+        atom_names = data.get("atom_name", None)
+        return ResidueTemplate(data["smiles"], link_labels, atom_names)
+
+    @staticmethod
+    def padder_from_dict(data):
+        rxn_smarts = data["rxn_smarts"]
+        adjacent_res_smarts = data.get("adjacent_res_smarts", None)
+        auto_blunt = data.get("auto_blunt", False)
+        padder = ResiduePadder(rxn_smarts, adjacent_res_smarts, auto_blunt)
+        return padder
+
+    def add_dict(self, data, overwrite=False):
+        bad_keys = set(data) - {"ambiguous", "residue_templates", "padders"}
+        if bad_keys:
+            raise ValueError("unexpected keys: {bad_keys}")
+        new_ambiguous = data.get("ambiguous", {}) 
+        if overwrite:
+            self.ambiguous.update(new_ambiguous)
+        else:
+            new_ambiguous = {k: v.copy() for k, v in new_ambiguous.items()}
+            new_ambiguous.update(self.ambiguous)
+            self.ambiguous = new_ambiguous
+        for key, value in data.get("residue_templates", {}).items():
+            if overwrite or key not in self.residue_templates:
+                res_template = self.residue_template_from_dict(value)
+                self.residue_templates[key] = res_template
+        for link_label, value in data.get("padders", {}).items():
+            if overwrite or key not in self.padders:
+                padder = self.padder_from_dict(data)
+                self.padders[link_label] = padder
+        return
+
+    @staticmethod
+    def lookup_filename(filename, data_path):
+        p = pathlib.Path(filename)
+        if not p.exists():
+            if (data_path / p).exists():
+                filename = str(data_path / p)
+            elif (data_path / (p.name + ".json")).exists():
+                filename = str(data_path / (p.name + ".json"))
+            else:
+                raise ValueError(f"can't find {filename} in current dir or {data_path}")
+        return filename
+
+    @classmethod
+    def from_json_file(cls, filename):
+        filename = cls.lookup_filename(filename, data_path)
+        with open(filename) as f:
+            jsonstr = f.read()
+        data = json.loads(jsonstr)
+        return cls.from_dict(data)
+
+    @classmethod
+    def create_from_defaults(cls):
+        return cls.from_json_file("residue_chem_templates")
+
+    def add_json_file(self, filename):
+        filename = self.lookup_filename(filename, data_path)
+        with open(filename) as f:
+            jsonstr = f.read()
+        data = json.loads(jsonstr)
+        self.add_dict(data)
+        return
+
     @staticmethod
     def _check_missing_padders(residue_templates, padders):
 
diff --git a/scripts/mk_prepare_receptor.py b/scripts/mk_prepare_receptor.py
index 7ea3dc78..04b7b8c1 100755
--- a/scripts/mk_prepare_receptor.py
+++ b/scripts/mk_prepare_receptor.py
@@ -36,11 +36,6 @@
 
 path_to_this_script = pathlib.Path(__file__).resolve()
 
-pkg_dir = pathlib.Path(pkg_init_path).parents[0]
-templates_fn = str(pkg_dir / "data" / "residue_chem_templates.json")
-with open(templates_fn) as f:
-    res_chem_templates = json.load(f)
-
 
 def parse_cmdline_res(string):
     """ "A:5,7,BB:12C  ->  "A:5", "A:7", "BB:12C" """
@@ -174,7 +169,7 @@ def get_args():
     config_group.add_argument("-n", "--set_template", help="e.g. A:5,7=CYX,B:17=HID")
     config_group.add_argument("-d", "--delete_residues", help="e.g. A:350,B:15,16,17")
     config_group.add_argument("-b", "--blunt_ends", help="e.g. A:123,200=2,A:1=0")
-    config_group.add_argument("--add_templates", help="[.json]", metavar="JSON_FILENAME")
+    config_group.add_argument("--add_templates", help="[.json]", metavar="JSON_FILENAME", nargs="+", default=[])
     config_group.add_argument("--mk_config", help="[.json]", metavar="JSON_FILENAME")
     config_group.add_argument(
         "-a", "--allow_bad_res",
@@ -479,23 +474,9 @@ def get_args():
     mk_prep = MoleculePreparation()
 
 # load templates for mapping
-if args.add_templates is not None:
-    with open(args.add_templates) as f:
-        more_templates = json.load(f)
-    bad_keys = set()
-    for key, values in more_templates.items():
-        if key not in res_chem_templates:
-            bad_keys.add(key)
-        else:
-            res_chem_templates[key].update(values)
-    if len(bad_keys):
-        msg = "Unrecognized keys provided in add_templates:" + os_linesep
-        msg += f"{bad_keys=}" + os_linesep
-        msg += f"allowed keys: {res_chem_templates.keys()}" + os_linesep
-        msg += f"see template file: {templates_fn}" + os_linesep
-        print(msg, file=sys.stderr)
-        sys.exit(2)
-templates = ResidueChemTemplates.from_dict(res_chem_templates)
+templates = ResidueChemTemplates.create_from_defaults()
+for fn in args.add_templates:
+    templates.add_json_file(fn)
 
 # create polymers
 if args.read_with_prody is not None:
diff --git a/test/flexres_export_test.py b/test/flexres_export_test.py
index 938c0781..38898765 100644
--- a/test/flexres_export_test.py
+++ b/test/flexres_export_test.py
@@ -13,11 +13,7 @@
 j3r_docked = pkgdir / "test/polymer_data/just-three-residues_vina_flexres.pdbqt"
 j3r_idx_docked = pkgdir / "test/polymer_data/just-three-residues_vina_flexres_idxmap.pdbqt"
 
-meekodir = pathlib.Path(meeko.__file__).parents[0]
-
-with open(meekodir / "data" / "residue_chem_templates.json") as f:
-    t = json.load(f)
-chem_templates = ResidueChemTemplates.from_dict(t)
+chem_templates = ResidueChemTemplates.create_from_defaults()
 mk_prep = MoleculePreparation(
     merge_these_atom_types=["H"],
     charge_model="gasteiger",
diff --git a/test/json_serialization_test.py b/test/json_serialization_test.py
index b48674f1..217b37ce 100644
--- a/test/json_serialization_test.py
+++ b/test/json_serialization_test.py
@@ -34,7 +34,6 @@
 # from ..meeko.utils.pdbutils import PDBAtomInfo
 
 pkgdir = pathlib.Path(meeko.__file__).parents[1]
-meekodir = pathlib.Path(meeko.__file__).parents[0]
 
 # Test Data
 ahhy_example = pkgdir / "test/polymer_data/AHHY.pdb"
@@ -43,9 +42,7 @@
 )
 
 # Polymer creation data
-with open(meekodir / "data" / "residue_chem_templates.json") as f:
-    t = json.load(f)
-chem_templates = ResidueChemTemplates.from_dict(t)
+chem_templates = ResidueChemTemplates.create_from_defaults()
 mk_prep = MoleculePreparation()
 
 
diff --git a/test/polymer_creation_test.py b/test/polymer_creation_test.py
index 9f07b871..762b0e00 100644
--- a/test/polymer_creation_test.py
+++ b/test/polymer_creation_test.py
@@ -14,7 +14,6 @@
 
 
 pkgdir = pathlib.Path(meeko.__file__).parents[1]
-meekodir = pathlib.Path(meeko.__file__).parents[0]
 
 ahhy_example = pkgdir / "test/polymer_data/AHHY.pdb"
 just_one_ALA_missing = (
@@ -35,9 +34,7 @@
 
 # TODO: add checks for untested polymer fields (e.g. input options not indicated here)
 
-with open(meekodir / "data" / "residue_chem_templates.json") as f:
-    t = json.load(f)
-chem_templates = ResidueChemTemplates.from_dict(t)
+chem_templates = ResidueChemTemplates.create_from_defaults()
 mk_prep = MoleculePreparation(
     merge_these_atom_types=["H"],
     charge_model="gasteiger",

From bfc2a2ec3db1819468110c41e084f613ecb69319 Mon Sep 17 00:00:00 2001
From: Amy He <ayhe1768@gmail.com>
Date: Tue, 5 Nov 2024 11:07:14 -0800
Subject: [PATCH 163/166] use importlib_resources backport for py3.9

---
 meeko/polymer.py | 4 ++--
 1 file changed, 2 insertions(+), 2 deletions(-)

diff --git a/meeko/polymer.py b/meeko/polymer.py
index 2bf36ede..8a549092 100644
--- a/meeko/polymer.py
+++ b/meeko/polymer.py
@@ -2,7 +2,7 @@
 import json
 import logging
 import traceback
-from importlib import resources
+from importlib_resources import files
 from os import linesep as os_linesep
 from sys import exc_info
 from typing import Union
@@ -31,7 +31,7 @@
 
 import numpy as np
 
-data_path = resources.files("meeko.data")
+data_path = files("meeko.data")
 periodic_table = Chem.GetPeriodicTable()
 
 try:

From 50f9c2986abe3135ad4200fc56c2e1f1afccf73d Mon Sep 17 00:00:00 2001
From: Amy He <ayhe1768@gmail.com>
Date: Tue, 5 Nov 2024 11:20:24 -0800
Subject: [PATCH 164/166] fix for mk_prepare_receptor --write_pdb uses only
 first character of filename

---
 scripts/mk_prepare_receptor.py | 1 +
 1 file changed, 1 insertion(+)

diff --git a/scripts/mk_prepare_receptor.py b/scripts/mk_prepare_receptor.py
index 04b7b8c1..63679e1a 100755
--- a/scripts/mk_prepare_receptor.py
+++ b/scripts/mk_prepare_receptor.py
@@ -148,6 +148,7 @@ def get_args():
     io_group.add_argument(
         "--write_pdb",
         help="prepared receptor (must specify filename)",
+        nargs="*",
         metavar="PDB_FILENAME",
     )
     io_group.add_argument(

From a0193ab14256a502fda1a1ecfac25427ebb65b18 Mon Sep 17 00:00:00 2001
From: diogom <diogom@scripps.edu>
Date: Tue, 5 Nov 2024 14:47:56 -0800
Subject: [PATCH 165/166] fix importlib.resources.files for py3.9 (on mac?)

---
 meeko/polymer.py     |  4 ++--
 meeko/utils/utils.py | 18 ------------------
 2 files changed, 2 insertions(+), 20 deletions(-)

diff --git a/meeko/polymer.py b/meeko/polymer.py
index 8a549092..50175358 100644
--- a/meeko/polymer.py
+++ b/meeko/polymer.py
@@ -2,7 +2,7 @@
 import json
 import logging
 import traceback
-from importlib_resources import files
+from importlib.resources import files
 from os import linesep as os_linesep
 from sys import exc_info
 from typing import Union
@@ -31,7 +31,7 @@
 
 import numpy as np
 
-data_path = files("meeko.data")
+data_path = files("meeko") / "data"
 periodic_table = Chem.GetPeriodicTable()
 
 try:
diff --git a/meeko/utils/utils.py b/meeko/utils/utils.py
index bb05b575..a7902317 100644
--- a/meeko/utils/utils.py
+++ b/meeko/utils/utils.py
@@ -6,7 +6,6 @@
 #
 
 import os
-import importlib
 from operator import itemgetter
 
 
@@ -102,23 +101,6 @@
 }
 
 
-def path_module(module_name):
-    try:
-        from importlib import util
-
-        specs = util.find_spec(module_name)
-        if specs is not None:
-            return specs.submodule_search_locations[0]
-    except:
-        try:
-            _, path, _ = imp.find_module(module_name)
-            abspath = os.path.abspath(path)
-            return abspath
-        except ImportError:
-            return None
-    return None
-
-
 def getNameExt(fname):
     """extract name and extension from the input file, removing the dot
     filename.ext -> [filename, ext]

From 78db43bb41a450da87065ac813690d4c1d6cf506 Mon Sep 17 00:00:00 2001
From: diogom <diogom@scripps.edu>
Date: Tue, 5 Nov 2024 17:16:02 -0800
Subject: [PATCH 166/166] add dependencies to setup.py install_requires=

---
 meeko/analysis/fingerprint_interactions.py | 11 ++++++++++-
 setup.py                                   |  2 +-
 2 files changed, 11 insertions(+), 2 deletions(-)

diff --git a/meeko/analysis/fingerprint_interactions.py b/meeko/analysis/fingerprint_interactions.py
index 60e9aa80..668d3c1d 100644
--- a/meeko/analysis/fingerprint_interactions.py
+++ b/meeko/analysis/fingerprint_interactions.py
@@ -7,7 +7,12 @@
 import os
 
 import numpy as np
-import pandas as pd
+try:
+    import pandas as pd
+    _got_pandas = True
+except ImportError as error:
+    _got_pandas = False
+    _pandas_import_error = error
 
 from .interactions import Hydrophobic, Reactive, Metal
 from .interactions import HBDonor, HBAcceptor, WaterDonor, WaterAcceptor
@@ -89,6 +94,10 @@ def to_dataframe(self, remove_common=False):
                 found between the molecules and the receptor
 
         """
+
+        if not _got_pandas:
+            raise _pandas_import_error
+
         count = 0
         resid_to_idx_encoder = {}
         columns = [[], []]
diff --git a/setup.py b/setup.py
index a24e922e..ae6bb569 100644
--- a/setup.py
+++ b/setup.py
@@ -31,7 +31,7 @@ def find_files(directory):
     packages=find_packages(),
     include_package_data=True,
     zip_safe=False,
-    install_requires=['numpy>=1.18'],
+    install_requires=['numpy>=1.18', "rdkit", "scipy", "gemmi"],
     python_requires='>=3.9, <3.12',
     license="LGPL-2.1",
     keywords=["molecular modeling", "drug design",