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1eei (1).pdb
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HEADER TOXIN 31-JAN-00 1EEI
TITLE CHOLERA TOXIN B-PENTAMER COMPLEXED WITH METANITROPHENYL-ALPHA-D-
TITLE 2 GALACTOSE
COMPND MOL_ID: 1;
COMPND 2 MOLECULE: PROTEIN (CHOLERA TOXIN B);
COMPND 3 CHAIN: D, E, F, G, H;
COMPND 4 ENGINEERED: YES;
COMPND 5 OTHER_DETAILS: RECEPTOR BINDING SITE ON EACH MONOMER OCCUPIED BY
COMPND 6 METANITROPHENYL-ALPHA-D-GALACTOSIDE
SOURCE MOL_ID: 1;
SOURCE 2 ORGANISM_SCIENTIFIC: VIBRIO CHOLERAE;
SOURCE 3 ORGANISM_TAXID: 666;
SOURCE 4 STRAIN: OGAWA 41 (CLASSICAL BIOTYPE);
SOURCE 5 EXPRESSION_SYSTEM: ESCHERICHIA COLI;
SOURCE 6 EXPRESSION_SYSTEM_TAXID: 562
KEYWDS TOXIN, ENTEROTOXIN
EXPDTA X-RAY DIFFRACTION
AUTHOR E.A.MERRITT,W.G.J.HOL
REVDAT 6 09-AUG-23 1EEI 1 HETSYN
REVDAT 5 29-JUL-20 1EEI 1 COMPND REMARK HETNAM SITE
REVDAT 4 24-FEB-09 1EEI 1 VERSN
REVDAT 3 01-APR-03 1EEI 1 JRNL
REVDAT 2 07-FEB-01 1EEI 1 JRNL
REVDAT 1 16-FEB-00 1EEI 0
JRNL AUTH E.FAN,E.A.MERRITT,Z.ZHANG,J.C.PICKENS,C.ROACH,M.AHN,W.G.HOL
JRNL TITL EXPLORATION OF THE GM1 RECEPTOR-BINDING SITE OF HEAT-LABILE
JRNL TITL 2 ENTEROTOXIN AND CHOLERA TOXIN BY PHENYL-RING-CONTAINING
JRNL TITL 3 GALACTOSE DERIVATIVES.
JRNL REF ACTA CRYSTALLOGR.,SECT.D V. 57 201 2001
JRNL REFN ISSN 0907-4449
JRNL PMID 11173465
JRNL DOI 10.1107/S0907444900016814
REMARK 1
REMARK 1 REFERENCE 1
REMARK 1 AUTH E.A.MERRITT,P.KUHN,S.SARFATY,J.L.ERBE,R.K.HOLMES,W.G.HOL
REMARK 1 TITL THE 1.25 A RESOLUTION REFINEMENT OF THE CHOLERA TOXIN
REMARK 1 TITL 2 B-PENTAMER: EVIDENCE OF PEPTIDE BACKBONE STRAIN AT THE
REMARK 1 TITL 3 RECEPTOR-BINDING SITE.
REMARK 1 REF J.MOL.BIOL. V. 282 1043 1998
REMARK 1 REFN ISSN 0022-2836
REMARK 1 DOI 10.1006/JMBI.1998.2076
REMARK 1 REFERENCE 2
REMARK 1 AUTH E.A.MERRITT,S.SARFATY,I.K.FEIL,W.G.J.HOL
REMARK 1 TITL STRUCTURAL FOUNDATION FOR THE DESIGN OF RECEPTOR ANTAGONISTS
REMARK 1 TITL 2 TARGETING ESCHERICHIA HEAT-LABILE ENTEROTOXIN
REMARK 1 REF STRUCTURE V. 5 1485 1997
REMARK 1 REFN ISSN 0969-2126
REMARK 1 DOI 10.1016/S0969-2126(97)00298-0
REMARK 2
REMARK 2 RESOLUTION. 2.00 ANGSTROMS.
REMARK 3
REMARK 3 REFINEMENT.
REMARK 3 PROGRAM : X-PLOR 3.851
REMARK 3 AUTHORS : BRUNGER
REMARK 3
REMARK 3 DATA USED IN REFINEMENT.
REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 2.00
REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 20.00
REMARK 3 DATA CUTOFF (SIGMA(F)) : 1.000
REMARK 3 DATA CUTOFF HIGH (ABS(F)) : NULL
REMARK 3 DATA CUTOFF LOW (ABS(F)) : NULL
REMARK 3 COMPLETENESS (WORKING+TEST) (%) : 100.0
REMARK 3 NUMBER OF REFLECTIONS : 40342
REMARK 3
REMARK 3 FIT TO DATA USED IN REFINEMENT.
REMARK 3 CROSS-VALIDATION METHOD : NULL
REMARK 3 FREE R VALUE TEST SET SELECTION : RANDOM
REMARK 3 R VALUE (WORKING SET) : 0.200
REMARK 3 FREE R VALUE : 0.251
REMARK 3 FREE R VALUE TEST SET SIZE (%) : NULL
REMARK 3 FREE R VALUE TEST SET COUNT : 1982
REMARK 3 ESTIMATED ERROR OF FREE R VALUE : NULL
REMARK 3
REMARK 3 FIT IN THE HIGHEST RESOLUTION BIN.
REMARK 3 TOTAL NUMBER OF BINS USED : NULL
REMARK 3 BIN RESOLUTION RANGE HIGH (A) : NULL
REMARK 3 BIN RESOLUTION RANGE LOW (A) : NULL
REMARK 3 BIN COMPLETENESS (WORKING+TEST) (%) : NULL
REMARK 3 REFLECTIONS IN BIN (WORKING SET) : NULL
REMARK 3 BIN R VALUE (WORKING SET) : NULL
REMARK 3 BIN FREE R VALUE : NULL
REMARK 3 BIN FREE R VALUE TEST SET SIZE (%) : NULL
REMARK 3 BIN FREE R VALUE TEST SET COUNT : NULL
REMARK 3 ESTIMATED ERROR OF BIN FREE R VALUE : NULL
REMARK 3
REMARK 3 NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT.
REMARK 3 PROTEIN ATOMS : 4070
REMARK 3 NUCLEIC ACID ATOMS : 0
REMARK 3 HETEROGEN ATOMS : 105
REMARK 3 SOLVENT ATOMS : 455
REMARK 3
REMARK 3 B VALUES.
REMARK 3 FROM WILSON PLOT (A**2) : NULL
REMARK 3 MEAN B VALUE (OVERALL, A**2) : NULL
REMARK 3 OVERALL ANISOTROPIC B VALUE.
REMARK 3 B11 (A**2) : NULL
REMARK 3 B22 (A**2) : NULL
REMARK 3 B33 (A**2) : NULL
REMARK 3 B12 (A**2) : NULL
REMARK 3 B13 (A**2) : NULL
REMARK 3 B23 (A**2) : NULL
REMARK 3
REMARK 3 ESTIMATED COORDINATE ERROR.
REMARK 3 ESD FROM LUZZATI PLOT (A) : NULL
REMARK 3 ESD FROM SIGMAA (A) : NULL
REMARK 3 LOW RESOLUTION CUTOFF (A) : NULL
REMARK 3
REMARK 3 CROSS-VALIDATED ESTIMATED COORDINATE ERROR.
REMARK 3 ESD FROM C-V LUZZATI PLOT (A) : NULL
REMARK 3 ESD FROM C-V SIGMAA (A) : NULL
REMARK 3
REMARK 3 RMS DEVIATIONS FROM IDEAL VALUES.
REMARK 3 BOND LENGTHS (A) : 0.011
REMARK 3 BOND ANGLES (DEGREES) : 1.580
REMARK 3 DIHEDRAL ANGLES (DEGREES) : NULL
REMARK 3 IMPROPER ANGLES (DEGREES) : NULL
REMARK 3
REMARK 3 ISOTROPIC THERMAL MODEL : 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 NCS MODEL : NULL
REMARK 3
REMARK 3 NCS RESTRAINTS. RMS SIGMA/WEIGHT
REMARK 3 GROUP 1 POSITIONAL (A) : NULL ; NULL
REMARK 3 GROUP 1 B-FACTOR (A**2) : NULL ; NULL
REMARK 3
REMARK 3 PARAMETER FILE 1 : NULL
REMARK 3 TOPOLOGY FILE 1 : NULL
REMARK 3
REMARK 3 OTHER REFINEMENT REMARKS: NULL
REMARK 4
REMARK 4 1EEI COMPLIES WITH FORMAT V. 3.30, 13-JUL-11
REMARK 100
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 02-FEB-00.
REMARK 100 THE DEPOSITION ID IS D_1000010495.
REMARK 200
REMARK 200 EXPERIMENTAL DETAILS
REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION
REMARK 200 DATE OF DATA COLLECTION : 10-APR-98
REMARK 200 TEMPERATURE (KELVIN) : 100
REMARK 200 PH : 4.0
REMARK 200 NUMBER OF CRYSTALS USED : 1
REMARK 200
REMARK 200 SYNCHROTRON (Y/N) : N
REMARK 200 RADIATION SOURCE : ROTATING ANODE
REMARK 200 BEAMLINE : NULL
REMARK 200 X-RAY GENERATOR MODEL : ENRAF-NONIUS FR591
REMARK 200 MONOCHROMATIC OR LAUE (M/L) : M
REMARK 200 WAVELENGTH OR RANGE (A) : 1.5418
REMARK 200 MONOCHROMATOR : NULL
REMARK 200 OPTICS : DOUBLE-FOCUS MIRRORS MIRROR
REMARK 200
REMARK 200 DETECTOR TYPE : IMAGE PLATE
REMARK 200 DETECTOR MANUFACTURER : MACSCIENCE
REMARK 200 INTENSITY-INTEGRATION SOFTWARE : DENZO
REMARK 200 DATA SCALING SOFTWARE : SCALEPACK
REMARK 200
REMARK 200 NUMBER OF UNIQUE REFLECTIONS : 40887
REMARK 200 RESOLUTION RANGE HIGH (A) : 2.000
REMARK 200 RESOLUTION RANGE LOW (A) : 20.000
REMARK 200 REJECTION CRITERIA (SIGMA(I)) : 0.000
REMARK 200
REMARK 200 OVERALL.
REMARK 200 COMPLETENESS FOR RANGE (%) : 93.0
REMARK 200 DATA REDUNDANCY : 3.800
REMARK 200 R MERGE (I) : 0.06400
REMARK 200 R SYM (I) : NULL
REMARK 200 <I/SIGMA(I)> FOR THE DATA SET : 19.2000
REMARK 200
REMARK 200 IN THE HIGHEST RESOLUTION SHELL.
REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 2.00
REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : 2.06
REMARK 200 COMPLETENESS FOR SHELL (%) : 88.0
REMARK 200 DATA REDUNDANCY IN SHELL : 3.50
REMARK 200 R MERGE FOR SHELL (I) : 0.27600
REMARK 200 R SYM FOR SHELL (I) : NULL
REMARK 200 <I/SIGMA(I)> FOR SHELL : 4.400
REMARK 200
REMARK 200 DIFFRACTION PROTOCOL: SINGLE WAVELENGTH
REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: MOLECULAR REPLACEMEN
REMARK 200 SOFTWARE USED: AMORE
REMARK 200 STARTING MODEL: PDB ENTRY 3CHB
REMARK 200
REMARK 200 REMARK: NULL
REMARK 280
REMARK 280 CRYSTAL
REMARK 280 SOLVENT CONTENT, VS (%): 54.32
REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.56
REMARK 280
REMARK 280 CRYSTALLIZATION CONDITIONS: SITTING DROP, PH 4.0, VAPOR DIFFUSION,
REMARK 280 SITTING DROP, TEMPERATURE 298K
REMARK 290
REMARK 290 CRYSTALLOGRAPHIC SYMMETRY
REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 21 21 21
REMARK 290
REMARK 290 SYMOP SYMMETRY
REMARK 290 NNNMMM OPERATOR
REMARK 290 1555 X,Y,Z
REMARK 290 2555 -X+1/2,-Y,Z+1/2
REMARK 290 3555 -X,Y+1/2,-Z+1/2
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 34.45000
REMARK 290 SMTRY2 2 0.000000 -1.000000 0.000000 0.00000
REMARK 290 SMTRY3 2 0.000000 0.000000 1.000000 65.33000
REMARK 290 SMTRY1 3 -1.000000 0.000000 0.000000 0.00000
REMARK 290 SMTRY2 3 0.000000 1.000000 0.000000 34.77500
REMARK 290 SMTRY3 3 0.000000 0.000000 -1.000000 65.33000
REMARK 290 SMTRY1 4 1.000000 0.000000 0.000000 34.45000
REMARK 290 SMTRY2 4 0.000000 -1.000000 0.000000 34.77500
REMARK 290 SMTRY3 4 0.000000 0.000000 -1.000000 0.00000
REMARK 290
REMARK 290 REMARK: NULL
REMARK 300
REMARK 300 BIOMOLECULE: 1
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 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: PISA
REMARK 350 TOTAL BURIED SURFACE AREA: 15040 ANGSTROM**2
REMARK 350 SURFACE AREA OF THE COMPLEX: 19940 ANGSTROM**2
REMARK 350 CHANGE IN SOLVENT FREE ENERGY: -37.0 KCAL/MOL
REMARK 350 APPLY THE FOLLOWING TO CHAINS: D, E, F, G, H
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 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
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 ASN D 14 66.44 33.28
REMARK 500 ASN D 21 56.81 39.88
REMARK 500 GLU D 51 156.37 -48.31
REMARK 500 ASN D 90 30.11 -90.85
REMARK 500 LYS E 34 -0.50 68.11
REMARK 500 GLU E 83 -71.14 -74.52
REMARK 500 ARG F 35 34.31 -141.81
REMARK 500 GLN G 16 149.36 -173.03
REMARK 500 GLU G 83 -70.07 -77.17
REMARK 500 PRO H 53 102.68 -56.33
REMARK 500
REMARK 500 REMARK: NULL
REMARK 900
REMARK 900 RELATED ENTRIES
REMARK 900 RELATED ID: 3CHB RELATED DB: PDB
REMARK 900 CHOLERA TOXIN B-PENTAMER COMPLEXED WITH RECEPTOR GM1 PENTASACCHARIDE
REMARK 900 RELATED ID: 1LT6 RELATED DB: PDB
REMARK 900 HEAT-LABILE ENTEROTOXIN B-PENTAMER COMPLEXED WITH METANITROPHENYL-
REMARK 900 ALPHA-D-GALACTOSE
REMARK 900 RELATED ID: 1EEF RELATED DB: PDB
REMARK 900 HEAT-LABILE ENTEROTOXIN B-PENTAMER COMPLEXED WITH BINDING SITE
REMARK 900 INHIBITOR ZTOI061
DBREF 1EEI D 1 103 UNP Q57193 Q57193_VIBCH 22 124
DBREF 1EEI E 1 103 UNP Q57193 Q57193_VIBCH 22 124
DBREF 1EEI F 1 103 UNP Q57193 Q57193_VIBCH 22 124
DBREF 1EEI G 1 103 UNP Q57193 Q57193_VIBCH 22 124
DBREF 1EEI H 1 103 UNP Q57193 Q57193_VIBCH 22 124
SEQRES 1 D 103 THR PRO GLN ASN ILE THR ASP LEU CYS ALA GLU TYR HIS
SEQRES 2 D 103 ASN THR GLN ILE HIS THR LEU ASN ASP LYS ILE PHE SER
SEQRES 3 D 103 TYR THR GLU SER LEU ALA GLY LYS ARG GLU MET ALA ILE
SEQRES 4 D 103 ILE THR PHE LYS ASN GLY ALA THR PHE GLN VAL GLU VAL
SEQRES 5 D 103 PRO GLY SER GLN HIS ILE ASP SER GLN LYS LYS ALA ILE
SEQRES 6 D 103 GLU ARG MET LYS ASP THR LEU ARG ILE ALA TYR LEU THR
SEQRES 7 D 103 GLU ALA LYS VAL GLU LYS LEU CYS VAL TRP ASN ASN LYS
SEQRES 8 D 103 THR PRO HIS ALA ILE ALA ALA ILE SER MET ALA ASN
SEQRES 1 E 103 THR PRO GLN ASN ILE THR ASP LEU CYS ALA GLU TYR HIS
SEQRES 2 E 103 ASN THR GLN ILE HIS THR LEU ASN ASP LYS ILE PHE SER
SEQRES 3 E 103 TYR THR GLU SER LEU ALA GLY LYS ARG GLU MET ALA ILE
SEQRES 4 E 103 ILE THR PHE LYS ASN GLY ALA THR PHE GLN VAL GLU VAL
SEQRES 5 E 103 PRO GLY SER GLN HIS ILE ASP SER GLN LYS LYS ALA ILE
SEQRES 6 E 103 GLU ARG MET LYS ASP THR LEU ARG ILE ALA TYR LEU THR
SEQRES 7 E 103 GLU ALA LYS VAL GLU LYS LEU CYS VAL TRP ASN ASN LYS
SEQRES 8 E 103 THR PRO HIS ALA ILE ALA ALA ILE SER MET ALA ASN
SEQRES 1 F 103 THR PRO GLN ASN ILE THR ASP LEU CYS ALA GLU TYR HIS
SEQRES 2 F 103 ASN THR GLN ILE HIS THR LEU ASN ASP LYS ILE PHE SER
SEQRES 3 F 103 TYR THR GLU SER LEU ALA GLY LYS ARG GLU MET ALA ILE
SEQRES 4 F 103 ILE THR PHE LYS ASN GLY ALA THR PHE GLN VAL GLU VAL
SEQRES 5 F 103 PRO GLY SER GLN HIS ILE ASP SER GLN LYS LYS ALA ILE
SEQRES 6 F 103 GLU ARG MET LYS ASP THR LEU ARG ILE ALA TYR LEU THR
SEQRES 7 F 103 GLU ALA LYS VAL GLU LYS LEU CYS VAL TRP ASN ASN LYS
SEQRES 8 F 103 THR PRO HIS ALA ILE ALA ALA ILE SER MET ALA ASN
SEQRES 1 G 103 THR PRO GLN ASN ILE THR ASP LEU CYS ALA GLU TYR HIS
SEQRES 2 G 103 ASN THR GLN ILE HIS THR LEU ASN ASP LYS ILE PHE SER
SEQRES 3 G 103 TYR THR GLU SER LEU ALA GLY LYS ARG GLU MET ALA ILE
SEQRES 4 G 103 ILE THR PHE LYS ASN GLY ALA THR PHE GLN VAL GLU VAL
SEQRES 5 G 103 PRO GLY SER GLN HIS ILE ASP SER GLN LYS LYS ALA ILE
SEQRES 6 G 103 GLU ARG MET LYS ASP THR LEU ARG ILE ALA TYR LEU THR
SEQRES 7 G 103 GLU ALA LYS VAL GLU LYS LEU CYS VAL TRP ASN ASN LYS
SEQRES 8 G 103 THR PRO HIS ALA ILE ALA ALA ILE SER MET ALA ASN
SEQRES 1 H 103 THR PRO GLN ASN ILE THR ASP LEU CYS ALA GLU TYR HIS
SEQRES 2 H 103 ASN THR GLN ILE HIS THR LEU ASN ASP LYS ILE PHE SER
SEQRES 3 H 103 TYR THR GLU SER LEU ALA GLY LYS ARG GLU MET ALA ILE
SEQRES 4 H 103 ILE THR PHE LYS ASN GLY ALA THR PHE GLN VAL GLU VAL
SEQRES 5 H 103 PRO GLY SER GLN HIS ILE ASP SER GLN LYS LYS ALA ILE
SEQRES 6 H 103 GLU ARG MET LYS ASP THR LEU ARG ILE ALA TYR LEU THR
SEQRES 7 H 103 GLU ALA LYS VAL GLU LYS LEU CYS VAL TRP ASN ASN LYS
SEQRES 8 H 103 THR PRO HIS ALA ILE ALA ALA ILE SER MET ALA ASN
HET GAA D 504 21
HET GAA E 505 21
HET GAA F 506 21
HET GAA G 507 21
HET GAA H 508 21
HETNAM GAA 3-NITROPHENYL ALPHA-D-GALACTOPYRANOSIDE
HETSYN GAA METANITROPHENYL-ALPHA-D-GALACTOSIDE; 3-NITROPHENYL
HETSYN 2 GAA ALPHA-D-GALACTOSIDE; 3-NITROPHENYL D-GALACTOSIDE; 3-
HETSYN 3 GAA NITROPHENYL GALACTOSIDE
FORMUL 6 GAA 5(C12 H15 N O8)
FORMUL 11 HOH *455(H2 O)
HELIX 1 1 ASN D 4 ALA D 10 1 7
HELIX 2 2 ILE D 58 GLU D 79 1 22
HELIX 3 3 ASN E 4 ALA E 10 1 7
HELIX 4 4 ILE E 58 GLU E 79 1 22
HELIX 5 5 ASN F 4 ALA F 10 1 7
HELIX 6 6 ILE F 58 GLU F 79 1 22
HELIX 7 7 ASN G 4 ALA G 10 1 7
HELIX 8 8 ILE G 58 SER G 60 5 3
HELIX 9 9 GLN G 61 GLU G 79 1 19
HELIX 10 10 ASN H 4 ALA H 10 1 7
HELIX 11 11 SER H 60 GLU H 79 1 20
SHEET 1 A39 THR D 15 ASP D 22 0
SHEET 2 A39 VAL D 82 TRP D 88 -1 N VAL D 82 O ASP D 22
SHEET 3 A39 HIS D 94 ALA D 102 -1 O ALA D 95 N TRP D 88
SHEET 4 A39 SER E 26 SER E 30 1 O TYR E 27 N MET D 101
SHEET 5 A39 MET E 37 THR E 41 -1 O MET E 37 N SER E 30
SHEET 6 A39 THR E 47 VAL E 50 -1 N PHE E 48 O ILE E 40
SHEET 7 A39 HIS E 94 ALA E 102 1 O HIS E 94 N GLN E 49
SHEET 8 A39 VAL E 82 TRP E 88 -1 N GLU E 83 O SER E 100
SHEET 9 A39 THR E 15 ASP E 22 -1 O GLN E 16 N VAL E 87
SHEET 10 A39 VAL E 82 TRP E 88 -1 N VAL E 82 O ASP E 22
SHEET 11 A39 HIS E 94 ALA E 102 -1 O ALA E 95 N TRP E 88
SHEET 12 A39 SER F 26 SER F 30 -1 N TYR F 27 O MET E 101
SHEET 13 A39 ALA F 38 THR F 41 -1 O ILE F 39 N THR F 28
SHEET 14 A39 THR F 47 VAL F 50 -1 O PHE F 48 N ILE F 40
SHEET 15 A39 HIS F 94 ALA F 102 1 O HIS F 94 N GLN F 49
SHEET 16 A39 VAL F 82 TRP F 88 -1 N GLU F 83 O SER F 100
SHEET 17 A39 THR F 15 ASP F 22 -1 O GLN F 16 N VAL F 87
SHEET 18 A39 VAL F 82 TRP F 88 -1 N VAL F 82 O ASP F 22
SHEET 19 A39 HIS F 94 ALA F 102 -1 O ALA F 95 N TRP F 88
SHEET 20 A39 SER G 26 SER G 30 -1 O TYR G 27 N MET F 101
SHEET 21 A39 ALA G 38 THR G 41 -1 O ILE G 39 N THR G 28
SHEET 22 A39 THR G 47 VAL G 50 -1 N PHE G 48 O ILE G 40
SHEET 23 A39 HIS G 94 ALA G 102 1 O HIS G 94 N GLN G 49
SHEET 24 A39 VAL G 82 TRP G 88 -1 N GLU G 83 O SER G 100
SHEET 25 A39 THR G 15 ASP G 22 -1 O GLN G 16 N VAL G 87
SHEET 26 A39 VAL G 82 TRP G 88 -1 N VAL G 82 O ASP G 22
SHEET 27 A39 HIS G 94 ALA G 102 -1 O ALA G 95 N TRP G 88
SHEET 28 A39 SER H 26 SER H 30 -1 O TYR H 27 N MET G 101
SHEET 29 A39 MET H 37 THR H 41 -1 O MET H 37 N SER H 30
SHEET 30 A39 THR H 47 VAL H 50 -1 N PHE H 48 O ILE H 40
SHEET 31 A39 HIS H 94 ALA H 102 1 O HIS H 94 N GLN H 49
SHEET 32 A39 VAL H 82 TRP H 88 -1 N GLU H 83 O SER H 100
SHEET 33 A39 THR H 15 ASP H 22 -1 O GLN H 16 N VAL H 87
SHEET 34 A39 VAL H 82 TRP H 88 -1 N VAL H 82 O ASP H 22
SHEET 35 A39 HIS H 94 ALA H 102 -1 O ALA H 95 N TRP H 88
SHEET 36 A39 SER D 26 SER D 30 -1 N TYR D 27 O MET H 101
SHEET 37 A39 MET D 37 THR D 41 -1 O MET D 37 N SER D 30
SHEET 38 A39 THR D 47 VAL D 50 -1 N PHE D 48 O ILE D 40
SHEET 39 A39 HIS D 94 ALA D 102 1 O HIS D 94 N GLN D 49
SSBOND 1 CYS D 9 CYS D 86 1555 1555 2.03
SSBOND 2 CYS E 9 CYS E 86 1555 1555 2.04
SSBOND 3 CYS F 9 CYS F 86 1555 1555 2.01
SSBOND 4 CYS G 9 CYS G 86 1555 1555 2.04
SSBOND 5 CYS H 9 CYS H 86 1555 1555 2.03
CISPEP 1 THR D 92 PRO D 93 0 0.08
CISPEP 2 THR E 92 PRO E 93 0 -0.12
CISPEP 3 THR F 92 PRO F 93 0 -0.22
CISPEP 4 THR G 92 PRO G 93 0 -0.31
CISPEP 5 THR H 92 PRO H 93 0 0.64
CRYST1 68.900 69.550 130.660 90.00 90.00 90.00 P 21 21 21 20
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 0.014510 0.000000 0.000000 0.00000
SCALE2 0.000000 0.014380 0.000000 0.00000
SCALE3 0.000000 0.000000 0.007650 0.00000
ATOM 1 N THR D 1 38.037 31.348 29.862 1.00 33.00 N
ATOM 2 CA THR D 1 36.589 31.127 30.121 1.00 35.55 C
ATOM 3 C THR D 1 35.742 31.862 29.096 1.00 33.96 C
ATOM 4 O THR D 1 35.831 33.092 28.952 1.00 32.50 O
ATOM 5 CB THR D 1 36.193 31.558 31.545 1.00 35.17 C
ATOM 6 OG1 THR D 1 36.841 30.686 32.469 1.00 39.57 O
ATOM 7 CG2 THR D 1 34.687 31.426 31.763 1.00 33.50 C
ATOM 8 N PRO D 2 34.892 31.113 28.372 1.00 33.37 N
ATOM 9 CA PRO D 2 34.031 31.737 27.351 1.00 34.14 C
ATOM 10 C PRO D 2 33.093 32.795 27.950 1.00 31.05 C
ATOM 11 O PRO D 2 32.735 32.731 29.127 1.00 32.31 O
ATOM 12 CB PRO D 2 33.273 30.536 26.746 1.00 34.27 C
ATOM 13 CG PRO D 2 33.247 29.524 27.908 1.00 35.08 C
ATOM 14 CD PRO D 2 34.641 29.662 28.498 1.00 29.79 C
ATOM 15 N GLN D 3 32.710 33.770 27.141 1.00 29.08 N
ATOM 16 CA GLN D 3 31.830 34.806 27.619 1.00 30.28 C
ATOM 17 C GLN D 3 30.464 34.666 27.011 1.00 27.08 C
ATOM 18 O GLN D 3 29.554 35.366 27.398 1.00 25.73 O
ATOM 19 CB GLN D 3 32.414 36.182 27.330 1.00 39.02 C
ATOM 20 CG GLN D 3 33.767 36.404 28.018 1.00 48.24 C
ATOM 21 CD GLN D 3 33.898 37.791 28.618 1.00 51.86 C
ATOM 22 OE1 GLN D 3 32.950 38.339 29.188 1.00 54.42 O
ATOM 23 NE2 GLN D 3 35.083 38.370 28.499 1.00 53.78 N
ATOM 24 N ASN D 4 30.283 33.673 26.156 1.00 24.18 N
ATOM 25 CA ASN D 4 29.007 33.476 25.504 1.00 23.35 C
ATOM 26 C ASN D 4 28.898 32.053 24.991 1.00 24.80 C
ATOM 27 O ASN D 4 29.885 31.318 24.971 1.00 25.80 O
ATOM 28 CB ASN D 4 28.881 34.449 24.343 1.00 25.31 C
ATOM 29 CG ASN D 4 30.015 34.307 23.351 1.00 26.76 C
ATOM 30 OD1 ASN D 4 30.162 33.270 22.716 1.00 28.05 O
ATOM 31 ND2 ASN D 4 30.851 35.332 23.235 1.00 28.85 N
ATOM 32 N ILE D 5 27.687 31.677 24.582 1.00 22.43 N
ATOM 33 CA ILE D 5 27.386 30.329 24.109 1.00 23.83 C
ATOM 34 C ILE D 5 28.189 29.917 22.875 1.00 25.97 C
ATOM 35 O ILE D 5 28.630 28.762 22.753 1.00 23.13 O
ATOM 36 CB ILE D 5 25.838 30.177 23.848 1.00 23.67 C
ATOM 37 CG1 ILE D 5 25.442 28.731 23.549 1.00 21.01 C
ATOM 38 CG2 ILE D 5 25.395 31.070 22.737 1.00 22.31 C
ATOM 39 CD1 ILE D 5 23.941 28.466 23.661 1.00 18.21 C
ATOM 40 N THR D 6 28.390 30.870 21.978 1.00 23.85 N
ATOM 41 CA THR D 6 29.111 30.578 20.747 1.00 24.78 C
ATOM 42 C THR D 6 30.546 30.195 21.004 1.00 25.67 C
ATOM 43 O THR D 6 31.033 29.179 20.499 1.00 25.74 O
ATOM 44 CB THR D 6 29.066 31.751 19.797 1.00 23.20 C
ATOM 45 OG1 THR D 6 27.691 31.996 19.449 1.00 24.08 O
ATOM 46 CG2 THR D 6 29.800 31.426 18.518 1.00 23.95 C
ATOM 47 N ASP D 7 31.220 31.017 21.790 1.00 22.88 N
ATOM 48 CA ASP D 7 32.594 30.737 22.127 1.00 25.30 C
ATOM 49 C ASP D 7 32.703 29.409 22.878 1.00 25.37 C
ATOM 50 O ASP D 7 33.624 28.623 22.628 1.00 24.92 O
ATOM 51 CB ASP D 7 33.186 31.890 22.944 1.00 29.54 C
ATOM 52 CG ASP D 7 33.156 33.219 22.185 1.00 35.53 C
ATOM 53 OD1 ASP D 7 32.828 33.204 20.977 1.00 37.34 O
ATOM 54 OD2 ASP D 7 33.435 34.278 22.792 1.00 39.13 O
ATOM 55 N LEU D 8 31.765 29.153 23.783 1.00 25.44 N
ATOM 56 CA LEU D 8 31.789 27.919 24.553 1.00 26.25 C
ATOM 57 C LEU D 8 31.617 26.718 23.650 1.00 22.02 C
ATOM 58 O LEU D 8 32.326 25.720 23.786 1.00 19.08 O
ATOM 59 CB LEU D 8 30.674 27.920 25.620 1.00 28.29 C
ATOM 60 CG LEU D 8 30.613 26.758 26.636 1.00 30.87 C
ATOM 61 CD1 LEU D 8 30.086 27.244 27.988 1.00 30.07 C
ATOM 62 CD2 LEU D 8 29.755 25.618 26.105 1.00 28.88 C
ATOM 63 N CYS D 9 30.678 26.813 22.721 1.00 22.89 N
ATOM 64 CA CYS D 9 30.395 25.711 21.808 1.00 27.30 C
ATOM 65 C CYS D 9 31.628 25.327 21.002 1.00 30.82 C
ATOM 66 O CYS D 9 31.943 24.149 20.838 1.00 28.98 O
ATOM 67 CB CYS D 9 29.256 26.092 20.879 1.00 23.82 C
ATOM 68 SG CYS D 9 28.371 24.643 20.226 1.00 28.72 S
ATOM 69 N ALA D 10 32.343 26.359 20.567 1.00 34.75 N
ATOM 70 CA ALA D 10 33.557 26.214 19.768 1.00 38.71 C
ATOM 71 C ALA D 10 34.727 25.445 20.406 1.00 38.78 C
ATOM 72 O ALA D 10 35.704 25.126 19.729 1.00 43.71 O
ATOM 73 CB ALA D 10 34.041 27.584 19.319 1.00 38.45 C
ATOM 74 N GLU D 11 34.670 25.221 21.710 1.00 33.74 N
ATOM 75 CA GLU D 11 35.741 24.501 22.379 1.00 31.06 C
ATOM 76 C GLU D 11 35.575 22.997 22.278 1.00 31.38 C
ATOM 77 O GLU D 11 36.362 22.255 22.850 1.00 32.57 O
ATOM 78 CB GLU D 11 35.789 24.893 23.856 1.00 29.06 C
ATOM 79 CG GLU D 11 35.771 26.378 24.085 1.00 34.62 C
ATOM 80 CD GLU D 11 35.643 26.739 25.550 1.00 42.41 C
ATOM 81 OE1 GLU D 11 35.279 25.874 26.373 1.00 45.46 O
ATOM 82 OE2 GLU D 11 35.906 27.907 25.889 1.00 50.41 O
ATOM 83 N TYR D 12 34.531 22.539 21.592 1.00 32.20 N
ATOM 84 CA TYR D 12 34.279 21.109 21.477 1.00 35.77 C
ATOM 85 C TYR D 12 34.213 20.643 20.028 1.00 38.50 C
ATOM 86 O TYR D 12 33.942 21.421 19.125 1.00 40.58 O
ATOM 87 CB TYR D 12 32.962 20.742 22.173 1.00 35.54 C
ATOM 88 CG TYR D 12 32.950 21.055 23.656 1.00 34.88 C
ATOM 89 CD1 TYR D 12 32.546 22.314 24.122 1.00 33.69 C
ATOM 90 CD2 TYR D 12 33.356 20.098 24.598 1.00 34.29 C
ATOM 91 CE1 TYR D 12 32.578 22.626 25.484 1.00 30.35 C
ATOM 92 CE2 TYR D 12 33.391 20.397 25.962 1.00 31.50 C
ATOM 93 CZ TYR D 12 32.990 21.661 26.400 1.00 30.40 C
ATOM 94 OH TYR D 12 33.042 21.967 27.743 1.00 27.00 O
ATOM 95 N HIS D 13 34.541 19.369 19.823 1.00 36.17 N
ATOM 96 CA HIS D 13 34.469 18.796 18.504 1.00 40.03 C
ATOM 97 C HIS D 13 32.996 18.484 18.164 1.00 39.59 C
ATOM 98 O HIS D 13 32.181 18.244 19.046 1.00 37.95 O
ATOM 99 CB HIS D 13 35.372 17.582 18.389 1.00 45.29 C
ATOM 100 CG HIS D 13 36.836 17.941 18.377 1.00 50.41 C
ATOM 101 ND1 HIS D 13 37.690 17.632 19.408 1.00 53.70 N
ATOM 102 CD2 HIS D 13 37.570 18.635 17.475 1.00 51.98 C
ATOM 103 CE1 HIS D 13 38.884 18.110 19.151 1.00 53.23 C
ATOM 104 NE2 HIS D 13 38.839 18.728 17.985 1.00 52.47 N
ATOM 105 N ASN D 14 32.722 18.501 16.870 1.00 41.45 N
ATOM 106 CA ASN D 14 31.395 18.311 16.326 1.00 42.03 C
ATOM 107 C ASN D 14 30.250 18.833 17.146 1.00 36.07 C
ATOM 108 O ASN D 14 29.448 18.077 17.701 1.00 35.40 O
ATOM 109 CB ASN D 14 31.060 16.908 15.806 1.00 48.17 C
ATOM 110 CG ASN D 14 31.948 15.837 16.394 1.00 50.34 C
ATOM 111 OD1 ASN D 14 32.136 15.779 17.597 1.00 48.92 O
ATOM 112 ND2 ASN D 14 32.497 15.021 15.544 1.00 51.49 N
ATOM 113 N THR D 15 30.238 20.132 17.245 1.00 30.72 N
ATOM 114 CA THR D 15 29.213 20.845 17.915 1.00 32.06 C
ATOM 115 C THR D 15 28.897 21.932 16.914 1.00 32.57 C
ATOM 116 O THR D 15 29.655 22.144 15.960 1.00 31.61 O
ATOM 117 CB THR D 15 29.676 21.462 19.244 1.00 30.26 C
ATOM 118 OG1 THR D 15 30.838 22.292 19.013 1.00 31.21 O
ATOM 119 CG2 THR D 15 30.043 20.370 20.224 1.00 29.82 C
ATOM 120 N GLN D 16 27.722 22.528 17.033 1.00 30.46 N
ATOM 121 CA GLN D 16 27.394 23.618 16.158 1.00 29.83 C
ATOM 122 C GLN D 16 26.303 24.384 16.851 1.00 28.76 C
ATOM 123 O GLN D 16 25.644 23.864 17.744 1.00 23.51 O
ATOM 124 CB GLN D 16 26.929 23.131 14.779 1.00 33.35 C
ATOM 125 CG GLN D 16 25.578 22.480 14.752 1.00 39.44 C
ATOM 126 CD GLN D 16 25.102 22.259 13.342 1.00 47.36 C
ATOM 127 OE1 GLN D 16 25.450 21.266 12.711 1.00 47.44 O
ATOM 128 NE2 GLN D 16 24.290 23.194 12.826 1.00 54.32 N
ATOM 129 N ILE D 17 26.205 25.652 16.502 1.00 30.57 N
ATOM 130 CA ILE D 17 25.202 26.506 17.077 1.00 29.71 C
ATOM 131 C ILE D 17 23.989 26.539 16.149 1.00 33.28 C
ATOM 132 O ILE D 17 24.117 26.491 14.918 1.00 35.74 O
ATOM 133 CB ILE D 17 25.772 27.945 17.268 1.00 30.22 C
ATOM 134 CG1 ILE D 17 26.656 28.011 18.528 1.00 28.55 C
ATOM 135 CG2 ILE D 17 24.634 28.982 17.314 1.00 27.30 C
ATOM 136 CD1 ILE D 17 25.897 27.932 19.871 1.00 25.53 C
ATOM 137 N HIS D 18 22.811 26.543 16.754 1.00 32.93 N
ATOM 138 CA HIS D 18 21.570 26.653 16.021 1.00 35.16 C
ATOM 139 C HIS D 18 20.897 27.866 16.601 1.00 35.41 C
ATOM 140 O HIS D 18 20.627 27.904 17.802 1.00 37.80 O
ATOM 141 CB HIS D 18 20.684 25.445 16.239 1.00 38.31 C
ATOM 142 CG HIS D 18 21.005 24.315 15.328 1.00 44.50 C
ATOM 143 ND1 HIS D 18 21.700 23.206 15.736 1.00 49.47 N
ATOM 144 CD2 HIS D 18 20.751 24.147 14.009 1.00 49.72 C
ATOM 145 CE1 HIS D 18 21.864 22.388 14.714 1.00 50.29 C
ATOM 146 NE2 HIS D 18 21.297 22.936 13.650 1.00 53.48 N
ATOM 147 N THR D 19 20.715 28.891 15.780 1.00 32.56 N
ATOM 148 CA THR D 19 20.040 30.090 16.250 1.00 29.80 C
ATOM 149 C THR D 19 18.567 29.859 15.988 1.00 32.40 C
ATOM 150 O THR D 19 18.157 29.562 14.853 1.00 34.42 O
ATOM 151 CB THR D 19 20.517 31.343 15.510 1.00 28.81 C
ATOM 152 OG1 THR D 19 21.929 31.471 15.681 1.00 27.88 O
ATOM 153 CG2 THR D 19 19.878 32.582 16.081 1.00 28.30 C
ATOM 154 N LEU D 20 17.793 29.883 17.064 1.00 29.90 N
ATOM 155 CA LEU D 20 16.366 29.663 16.979 1.00 29.50 C
ATOM 156 C LEU D 20 15.569 30.937 17.219 1.00 28.21 C
ATOM 157 O LEU D 20 14.633 31.216 16.486 1.00 29.44 O
ATOM 158 CB LEU D 20 15.931 28.580 17.973 1.00 30.33 C
ATOM 159 CG LEU D 20 16.379 27.115 17.826 1.00 28.84 C
ATOM 160 CD1 LEU D 20 16.174 26.647 16.414 1.00 27.79 C
ATOM 161 CD2 LEU D 20 17.803 26.896 18.234 1.00 29.52 C
ATOM 162 N ASN D 21 15.974 31.709 18.222 1.00 26.25 N
ATOM 163 CA ASN D 21 15.267 32.935 18.590 1.00 27.06 C
ATOM 164 C ASN D 21 13.767 32.737 18.503 1.00 31.48 C
ATOM 165 O ASN D 21 13.094 33.476 17.814 1.00 34.16 O
ATOM 166 CB ASN D 21 15.671 34.092 17.691 1.00 27.64 C
ATOM 167 CG ASN D 21 17.052 34.546 17.963 1.00 28.84 C
ATOM 168 OD1 ASN D 21 17.873 34.649 17.071 1.00 34.07 O
ATOM 169 ND2 ASN D 21 17.321 34.820 19.218 1.00 27.56 N
ATOM 170 N ASP D 22 13.245 31.754 19.224 1.00 32.47 N
ATOM 171 CA ASP D 22 11.816 31.453 19.181 1.00 29.32 C
ATOM 172 C ASP D 22 11.516 30.596 20.403 1.00 26.79 C
ATOM 173 O ASP D 22 12.434 30.013 20.957 1.00 27.03 O
ATOM 174 CB ASP D 22 11.539 30.655 17.902 1.00 26.38 C
ATOM 175 CG ASP D 22 10.068 30.402 17.658 1.00 29.94 C
ATOM 176 OD1 ASP D 22 9.208 31.115 18.225 1.00 27.92 O
ATOM 177 OD2 ASP D 22 9.768 29.488 16.862 1.00 32.95 O
ATOM 178 N LYS D 23 10.267 30.558 20.850 1.00 25.00 N
ATOM 179 CA LYS D 23 9.893 29.738 21.997 1.00 24.54 C
ATOM 180 C LYS D 23 9.858 28.290 21.524 1.00 24.57 C
ATOM 181 O LYS D 23 9.815 28.034 20.316 1.00 24.31 O
ATOM 182 CB LYS D 23 8.508 30.123 22.502 1.00 27.64 C
ATOM 183 CG LYS D 23 7.408 29.783 21.521 1.00 33.93 C
ATOM 184 CD LYS D 23 6.053 29.981 22.162 1.00 42.43 C
ATOM 185 CE LYS D 23 4.937 29.825 21.154 1.00 48.75 C
ATOM 186 NZ LYS D 23 5.117 30.860 20.079 1.00 58.69 N
ATOM 187 N ILE D 24 9.911 27.353 22.468 1.00 26.12 N
ATOM 188 CA ILE D 24 9.898 25.932 22.132 1.00 23.59 C
ATOM 189 C ILE D 24 8.516 25.530 21.668 1.00 23.81 C
ATOM 190 O ILE D 24 7.550 25.795 22.360 1.00 25.11 O
ATOM 191 CB ILE D 24 10.252 25.056 23.349 1.00 22.22 C
ATOM 192 CG1 ILE D 24 11.652 25.407 23.868 1.00 23.75 C
ATOM 193 CG2 ILE D 24 10.156 23.583 22.968 1.00 19.27 C
ATOM 194 CD1 ILE D 24 11.999 24.803 25.239 1.00 23.50 C
ATOM 195 N PHE D 25 8.432 24.863 20.518 1.00 21.65 N
ATOM 196 CA PHE D 25 7.135 24.440 20.002 1.00 20.07 C
ATOM 197 C PHE D 25 6.527 23.279 20.777 1.00 19.85 C
ATOM 198 O PHE D 25 5.328 23.271 21.038 1.00 19.32 O
ATOM 199 CB PHE D 25 7.204 24.057 18.532 1.00 22.55 C
ATOM 200 CG PHE D 25 5.876 23.700 17.955 1.00 25.45 C
ATOM 201 CD1 PHE D 25 4.909 24.680 17.739 1.00 29.77 C
ATOM 202 CD2 PHE D 25 5.535 22.369 17.707 1.00 28.86 C
ATOM 203 CE1 PHE D 25 3.620 24.340 17.298 1.00 30.52 C
ATOM 204 CE2 PHE D 25 4.253 22.019 17.260 1.00 30.78 C
ATOM 205 CZ PHE D 25 3.296 23.004 17.062 1.00 29.48 C
ATOM 206 N SER D 26 7.318 22.251 21.054 1.00 19.86 N
ATOM 207 CA SER D 26 6.795 21.110 21.789 1.00 21.47 C
ATOM 208 C SER D 26 7.821 20.574 22.762 1.00 22.94 C
ATOM 209 O SER D 26 9.027 20.723 22.568 1.00 23.14 O
ATOM 210 CB SER D 26 6.362 20.008 20.837 1.00 23.37 C
ATOM 211 OG SER D 26 7.494 19.448 20.210 1.00 24.65 O
ATOM 212 N TYR D 27 7.326 20.010 23.855 1.00 23.69 N
ATOM 213 CA TYR D 27 8.185 19.456 24.897 1.00 22.54 C
ATOM 214 C TYR D 27 7.726 18.037 25.220 1.00 20.45 C
ATOM 215 O TYR D 27 6.572 17.827 25.608 1.00 21.74 O
ATOM 216 CB TYR D 27 8.131 20.345 26.167 1.00 18.78 C
ATOM 217 CG TYR D 27 8.942 19.795 27.314 1.00 20.03 C
ATOM 218 CD1 TYR D 27 10.313 20.016 27.392 1.00 19.42 C
ATOM 219 CD2 TYR D 27 8.363 18.955 28.258 1.00 21.26 C
ATOM 220 CE1 TYR D 27 11.082 19.395 28.354 1.00 18.84 C
ATOM 221 CE2 TYR D 27 9.130 18.333 29.225 1.00 21.23 C
ATOM 222 CZ TYR D 27 10.478 18.552 29.263 1.00 22.13 C
ATOM 223 OH TYR D 27 11.233 17.884 30.177 1.00 27.17 O
ATOM 224 N THR D 28 8.658 17.094 25.137 1.00 18.28 N
ATOM 225 CA THR D 28 8.388 15.685 25.426 1.00 18.65 C
ATOM 226 C THR D 28 9.433 15.114 26.376 1.00 18.70 C
ATOM 227 O THR D 28 10.618 15.393 26.219 1.00 19.48 O
ATOM 228 CB THR D 28 8.460 14.837 24.146 1.00 16.71 C
ATOM 229 OG1 THR D 28 7.522 15.340 23.206 1.00 15.76 O
ATOM 230 CG2 THR D 28 8.142 13.377 24.429 1.00 16.30 C
ATOM 231 N GLU D 29 8.992 14.356 27.383 1.00 17.32 N
ATOM 232 CA GLU D 29 9.923 13.714 28.307 1.00 18.06 C
ATOM 233 C GLU D 29 9.468 12.286 28.556 1.00 18.82 C
ATOM 234 O GLU D 29 8.274 11.987 28.459 1.00 18.77 O
ATOM 235 CB GLU D 29 10.079 14.498 29.606 1.00 21.87 C
ATOM 236 CG GLU D 29 9.049 14.255 30.670 1.00 26.48 C
ATOM 237 CD GLU D 29 9.327 15.030 31.941 1.00 27.04 C
ATOM 238 OE1 GLU D 29 9.947 16.114 31.875 1.00 29.52 O
ATOM 239 OE2 GLU D 29 8.905 14.579 33.013 1.00 26.70 O
ATOM 240 N SER D 30 10.423 11.401 28.806 1.00 21.43 N
ATOM 241 CA SER D 30 10.138 9.986 29.008 1.00 17.25 C
ATOM 242 C SER D 30 10.845 9.428 30.198 1.00 18.43 C
ATOM 243 O SER D 30 11.988 9.777 30.470 1.00 15.41 O
ATOM 244 CB SER D 30 10.632 9.202 27.802 1.00 17.77 C
ATOM 245 OG SER D 30 10.771 7.826 28.086 1.00 22.68 O
ATOM 246 N LEU D 31 10.165 8.518 30.878 1.00 16.95 N
ATOM 247 CA LEU D 31 10.764 7.859 32.019 1.00 19.67 C
ATOM 248 C LEU D 31 11.026 6.423 31.603 1.00 18.29 C
ATOM 249 O LEU D 31 11.533 5.643 32.398 1.00 19.08 O
ATOM 250 CB LEU D 31 9.838 7.892 33.241 1.00 18.81 C
ATOM 251 CG LEU D 31 8.396 7.356 33.180 1.00 21.38 C
ATOM 252 CD1 LEU D 31 8.333 5.887 32.845 1.00 20.44 C
ATOM 253 CD2 LEU D 31 7.707 7.588 34.529 1.00 22.62 C
ATOM 254 N ALA D 32 10.616 6.069 30.394 1.00 16.20 N
ATOM 255 CA ALA D 32 10.785 4.718 29.897 1.00 17.72 C
ATOM 256 C ALA D 32 12.242 4.237 29.969 1.00 19.85 C
ATOM 257 O ALA D 32 13.193 5.003 29.715 1.00 19.40 O
ATOM 258 CB ALA D 32 10.251 4.632 28.491 1.00 21.60 C
ATOM 259 N GLY D 33 12.395 2.973 30.365 1.00 19.04 N
ATOM 260 CA GLY D 33 13.711 2.372 30.515 1.00 18.86 C
ATOM 261 C GLY D 33 14.602 2.588 29.318 1.00 20.65 C
ATOM 262 O GLY D 33 14.228 2.237 28.209 1.00 20.68 O
ATOM 263 N LYS D 34 15.807 3.090 29.569 1.00 22.28 N
ATOM 264 CA LYS D 34 16.800 3.372 28.529 1.00 25.03 C
ATOM 265 C LYS D 34 16.357 4.539 27.643 1.00 25.96 C
ATOM 266 O LYS D 34 17.011 4.860 26.654 1.00 22.63 O
ATOM 267 CB LYS D 34 17.113 2.130 27.668 1.00 32.21 C
ATOM 268 CG LYS D 34 17.575 0.868 28.445 1.00 40.47 C
ATOM 269 CD LYS D 34 18.798 1.131 29.332 1.00 47.01 C
ATOM 270 CE LYS D 34 19.229 -0.112 30.120 1.00 50.17 C
ATOM 271 NZ LYS D 34 20.262 0.204 31.168 1.00 48.29 N
ATOM 272 N ARG D 35 15.220 5.151 27.964 1.00 24.94 N
ATOM 273 CA ARG D 35 14.739 6.297 27.201 1.00 23.70 C
ATOM 274 C ARG D 35 14.323 7.415 28.148 1.00 22.55 C
ATOM 275 O ARG D 35 13.375 8.148 27.884 1.00 19.99 O
ATOM 276 CB ARG D 35 13.579 5.924 26.269 1.00 27.21 C
ATOM 277 CG ARG D 35 13.963 5.102 25.018 1.00 30.92 C
ATOM 278 CD ARG D 35 14.843 5.862 24.008 1.00 38.35 C
ATOM 279 NE ARG D 35 15.075 5.091 22.781 1.00 40.52 N
ATOM 280 CZ ARG D 35 16.242 4.570 22.426 1.00 42.16 C
ATOM 281 NH1 ARG D 35 17.310 4.729 23.194 1.00 43.14 N
ATOM 282 NH2 ARG D 35 16.333 3.859 21.315 1.00 44.89 N
ATOM 283 N GLU D 36 15.077 7.549 29.237 1.00 22.89 N
ATOM 284 CA GLU D 36 14.852 8.595 30.232 1.00 21.97 C
ATOM 285 C GLU D 36 15.507 9.844 29.632 1.00 21.92 C
ATOM 286 O GLU D 36 16.684 10.123 29.853 1.00 20.08 O
ATOM 287 CB GLU D 36 15.511 8.182 31.543 1.00 19.88 C
ATOM 288 CG GLU D 36 15.052 6.819 32.040 1.00 18.49 C
ATOM 289 CD GLU D 36 15.923 5.676 31.547 1.00 23.38 C
ATOM 290 OE1 GLU D 36 16.748 5.878 30.633 1.00 18.14 O
ATOM 291 OE2 GLU D 36 15.811 4.560 32.091 1.00 24.67 O
ATOM 292 N MET D 37 14.756 10.540 28.787 1.00 22.02 N
ATOM 293 CA MET D 37 15.293 11.694 28.064 1.00 21.00 C
ATOM 294 C MET D 37 14.231 12.735 27.809 1.00 20.39 C
ATOM 295 O MET D 37 13.047 12.516 28.081 1.00 20.05 O
ATOM 296 CB MET D 37 15.782 11.219 26.691 1.00 22.59 C
ATOM 297 CG MET D 37 14.596 10.784 25.826 1.00 25.77 C
ATOM 298 SD MET D 37 14.926 10.077 24.231 1.00 30.19 S
ATOM 299 CE MET D 37 16.143 11.290 23.580 1.00 31.66 C
ATOM 300 N ALA D 38 14.647 13.801 27.132 1.00 19.11 N
ATOM 301 CA ALA D 38 13.765 14.899 26.779 1.00 17.88 C
ATOM 302 C ALA D 38 14.043 15.281 25.351 1.00 18.27 C
ATOM 303 O ALA D 38 15.183 15.225 24.883 1.00 19.12 O
ATOM 304 CB ALA D 38 14.007 16.098 27.685 1.00 20.17 C
ATOM 305 N ILE D 39 12.978 15.661 24.666 1.00 19.62 N
ATOM 306 CA ILE D 39 13.065 16.095 23.291 1.00 20.23 C
ATOM 307 C ILE D 39 12.256 17.376 23.143 1.00 22.23 C
ATOM 308 O ILE D 39 11.179 17.519 23.721 1.00 25.47 O
ATOM 309 CB ILE D 39 12.461 15.059 22.351 1.00 23.39 C
ATOM 310 CG1 ILE D 39 13.204 13.721 22.495 1.00 26.01 C
ATOM 311 CG2 ILE D 39 12.522 15.572 20.905 1.00 22.47 C
ATOM 312 CD1 ILE D 39 12.434 12.522 21.971 1.00 24.03 C
ATOM 313 N ILE D 40 12.815 18.321 22.407 1.00 21.14 N
ATOM 314 CA ILE D 40 12.103 19.568 22.163 1.00 19.98 C
ATOM 315 C ILE D 40 12.123 19.864 20.670 1.00 20.22 C
ATOM 316 O ILE D 40 13.052 19.473 19.951 1.00 19.06 O
ATOM 317 CB ILE D 40 12.753 20.743 22.912 1.00 19.99 C
ATOM 318 CG1 ILE D 40 14.237 20.853 22.519 1.00 23.50 C
ATOM 319 CG2 ILE D 40 12.609 20.560 24.433 1.00 17.81 C
ATOM 320 CD1 ILE D 40 14.940 22.122 23.038 1.00 20.34 C
ATOM 321 N THR D 41 11.097 20.547 20.199 1.00 20.83 N
ATOM 322 CA THR D 41 11.067 20.924 18.791 1.00 24.82 C
ATOM 323 C THR D 41 10.561 22.339 18.692 1.00 25.24 C
ATOM 324 O THR D 41 9.890 22.851 19.603 1.00 23.70 O
ATOM 325 CB THR D 41 10.128 20.072 17.940 1.00 27.14 C
ATOM 326 OG1 THR D 41 8.772 20.494 18.156 1.00 29.51 O
ATOM 327 CG2 THR D 41 10.286 18.602 18.238 1.00 20.86 C
ATOM 328 N PHE D 42 10.885 22.965 17.572 1.00 25.32 N
ATOM 329 CA PHE D 42 10.483 24.328 17.285 1.00 29.54 C
ATOM 330 C PHE D 42 9.589 24.269 16.053 1.00 35.10 C
ATOM 331 O PHE D 42 9.757 23.388 15.214 1.00 34.46 O
ATOM 332 CB PHE D 42 11.730 25.181 17.071 1.00 29.24 C
ATOM 333 CG PHE D 42 12.621 25.259 18.297 1.00 27.18 C
ATOM 334 CD1 PHE D 42 13.506 24.225 18.597 1.00 27.16 C
ATOM 335 CD2 PHE D 42 12.515 26.340 19.178 1.00 28.47 C
ATOM 336 CE1 PHE D 42 14.277 24.250 19.763 1.00 28.46 C
ATOM 337 CE2 PHE D 42 13.274 26.384 20.346 1.00 26.35 C
ATOM 338 CZ PHE D 42 14.161 25.333 20.646 1.00 27.86 C
ATOM 339 N LYS D 43 8.622 25.177 15.946 1.00 41.35 N
ATOM 340 CA LYS D 43 7.683 25.180 14.822 1.00 46.64 C
ATOM 341 C LYS D 43 8.265 24.982 13.430 1.00 45.97 C
ATOM 342 O LYS D 43 7.558 24.549 12.515 1.00 47.93 O
ATOM 343 CB LYS D 43 6.744 26.403 14.857 1.00 52.03 C
ATOM 344 CG LYS D 43 7.362 27.782 14.596 1.00 56.35 C
ATOM 345 CD LYS D 43 6.260 28.862 14.579 1.00 58.85 C
ATOM 346 CE LYS D 43 6.801 30.283 14.784 1.00 60.66 C
ATOM 347 NZ LYS D 43 7.669 30.767 13.684 1.00 59.06 N
ATOM 348 N ASN D 44 9.549 25.272 13.271 1.00 41.73 N
ATOM 349 CA ASN D 44 10.208 25.098 11.988 1.00 43.12 C
ATOM 350 C ASN D 44 10.609 23.643 11.714 1.00 46.32 C
ATOM 351 O ASN D 44 11.178 23.345 10.668 1.00 49.18 O
ATOM 352 CB ASN D 44 11.445 25.979 11.925 1.00 45.17 C
ATOM 353 CG ASN D 44 12.593 25.454 12.780 1.00 49.61 C
ATOM 354 OD1 ASN D 44 12.531 24.375 13.367 1.00 43.74 O
ATOM 355 ND2 ASN D 44 13.675 26.208 12.812 1.00 54.99 N
ATOM 356 N GLY D 45 10.352 22.762 12.681 1.00 45.57 N
ATOM 357 CA GLY D 45 10.690 21.358 12.517 1.00 40.73 C
ATOM 358 C GLY D 45 11.958 20.897 13.202 1.00 36.15 C
ATOM 359 O GLY D 45 12.228 19.700 13.249 1.00 35.99 O
ATOM 360 N ALA D 46 12.757 21.838 13.691 1.00 34.23 N
ATOM 361 CA ALA D 46 14.002 21.488 14.362 1.00 33.71 C
ATOM 362 C ALA D 46 13.721 20.697 15.634 1.00 33.82 C
ATOM 363 O ALA D 46 12.848 21.064 16.435 1.00 34.68 O
ATOM 364 CB ALA D 46 14.809 22.733 14.659 1.00 35.22 C
ATOM 365 N THR D 47 14.503 19.645 15.833 1.00 30.82 N
ATOM 366 CA THR D 47 14.335 18.756 16.973 1.00 26.68 C
ATOM 367 C THR D 47 15.643 18.521 17.694 1.00 27.97 C
ATOM 368 O THR D 47 16.667 18.341 17.065 1.00 30.56 O
ATOM 369 CB THR D 47 13.806 17.404 16.477 1.00 25.95 C
ATOM 370 OG1 THR D 47 12.582 17.631 15.758 1.00 22.15 O
ATOM 371 CG2 THR D 47 13.528 16.471 17.617 1.00 26.07 C
ATOM 372 N PHE D 48 15.613 18.568 19.021 1.00 25.32 N
ATOM 373 CA PHE D 48 16.830 18.335 19.810 1.00 25.96 C
ATOM 374 C PHE D 48 16.511 17.462 21.000 1.00 23.49 C
ATOM 375 O PHE D 48 15.358 17.349 21.422 1.00 24.38 O
ATOM 376 CB PHE D 48 17.442 19.651 20.284 1.00 24.63 C
ATOM 377 CG PHE D 48 17.575 20.665 19.181 1.00 25.00 C
ATOM 378 CD1 PHE D 48 18.702 20.684 18.369 1.00 26.46 C
ATOM 379 CD2 PHE D 48 16.558 21.581 18.945 1.00 18.71 C
ATOM 380 CE1 PHE D 48 18.809 21.611 17.336 1.00 24.69 C
ATOM 381 CE2 PHE D 48 16.653 22.507 17.924 1.00 19.69 C
ATOM 382 CZ PHE D 48 17.780 22.528 17.117 1.00 23.81 C
ATOM 383 N GLN D 49 17.518 16.782 21.502 1.00 17.61 N
ATOM 384 CA GLN D 49 17.258 15.957 22.655 1.00 17.32 C
ATOM 385 C GLN D 49 18.245 16.308 23.738 1.00 20.00 C
ATOM 386 O GLN D 49 19.231 17.020 23.506 1.00 20.81 O
ATOM 387 CB GLN D 49 17.492 14.502 22.279 1.00 19.46 C
ATOM 388 CG GLN D 49 18.962 14.231 21.981 1.00 21.34 C
ATOM 389 CD GLN D 49 19.280 12.767 21.846 1.00 22.40 C
ATOM 390 OE1 GLN D 49 19.085 11.989 22.779 1.00 21.13 O
ATOM 391 NE2 GLN D 49 19.809 12.383 20.683 1.00 24.31 N
ATOM 392 N VAL D 50 17.905 15.849 24.941 1.00 21.63 N
ATOM 393 CA VAL D 50 18.809 15.944 26.072 1.00 21.32 C
ATOM 394 C VAL D 50 18.980 14.445 26.285 1.00 20.64 C
ATOM 395 O VAL D 50 18.023 13.746 26.643 1.00 19.49 O
ATOM 396 CB VAL D 50 18.183 16.593 27.310 1.00 20.86 C
ATOM 397 CG1 VAL D 50 19.171 16.525 28.456 1.00 18.72 C
ATOM 398 CG2 VAL D 50 17.866 18.044 27.010 1.00 21.87 C
ATOM 399 N GLU D 51 20.139 13.955 25.877 1.00 19.25 N
ATOM 400 CA GLU D 51 20.467 12.541 25.983 1.00 21.46 C
ATOM 401 C GLU D 51 20.214 11.863 27.310 1.00 21.47 C
ATOM 402 O GLU D 51 20.238 12.478 28.370 1.00 19.18 O
ATOM 403 CB GLU D 51 21.945 12.311 25.693 1.00 23.33 C
ATOM 404 CG GLU D 51 22.382 12.666 24.327 1.00 26.12 C
ATOM 405 CD GLU D 51 23.812 12.264 24.109 1.00 28.53 C
ATOM 406 OE1 GLU D 51 24.078 11.081 23.825 1.00 23.42 O
ATOM 407 OE2 GLU D 51 24.679 13.141 24.266 1.00 30.90 O
ATOM 408 N VAL D 52 20.052 10.550 27.235 1.00 19.58 N
ATOM 409 CA VAL D 52 19.891 9.716 28.414 1.00 20.21 C
ATOM 410 C VAL D 52 21.253 9.844 29.117 1.00 21.86 C
ATOM 411 O VAL D 52 22.280 9.964 28.455 1.00 21.86 O
ATOM 412 CB VAL D 52 19.718 8.237 28.027 1.00 19.54 C
ATOM 413 CG1 VAL D 52 19.552 7.376 29.271 1.00 22.41 C
ATOM 414 CG2 VAL D 52 18.556 8.082 27.077 1.00 20.40 C
ATOM 415 N PRO D 53 21.267 9.917 30.449 1.00 24.37 N
ATOM 416 CA PRO D 53 22.576 10.040 31.114 1.00 22.74 C
ATOM 417 C PRO D 53 23.308 8.787 30.788 1.00 24.49 C
ATOM 418 O PRO D 53 22.701 7.732 30.763 1.00 26.55 O
ATOM 419 CB PRO D 53 22.218 10.026 32.582 1.00 22.37 C
ATOM 420 CG PRO D 53 20.813 10.589 32.597 1.00 27.69 C
ATOM 421 CD PRO D 53 20.170 9.905 31.434 1.00 25.78 C
ATOM 422 N GLY D 54 24.593 8.885 30.506 1.00 24.88 N
ATOM 423 CA GLY D 54 25.321 7.675 30.181 1.00 27.26 C
ATOM 424 C GLY D 54 26.796 7.780 30.461 1.00 28.69 C
ATOM 425 O GLY D 54 27.249 8.758 31.058 1.00 27.53 O
ATOM 426 N SER D 55 27.544 6.784 29.996 1.00 32.26 N
ATOM 427 CA SER D 55 28.995 6.713 30.174 1.00 31.19 C
ATOM 428 C SER D 55 29.700 7.807 29.410 1.00 27.38 C
ATOM 429 O SER D 55 30.852 8.125 29.698 1.00 28.06 O
ATOM 430 CB SER D 55 29.528 5.356 29.688 1.00 31.97 C
ATOM 431 OG SER D 55 28.890 4.267 30.331 1.00 35.73 O
ATOM 432 N GLN D 56 29.046 8.357 28.392 1.00 23.48 N
ATOM 433 CA GLN D 56 29.638 9.419 27.598 1.00 25.73 C
ATOM 434 C GLN D 56 29.662 10.682 28.429 1.00 30.39 C
ATOM 435 O GLN D 56 30.231 11.694 28.035 1.00 33.05 O
ATOM 436 CB GLN D 56 28.860 9.667 26.282 1.00 26.71 C
ATOM 437 CG GLN D 56 27.515 10.391 26.394 1.00 25.14 C
ATOM 438 CD GLN D 56 26.350 9.462 26.646 1.00 29.22 C
ATOM 439 OE1 GLN D 56 25.233 9.750 26.226 1.00 34.22 O
ATOM 440 NE2 GLN D 56 26.581 8.394 27.399 1.00 25.97 N
ATOM 441 N HIS D 57 28.948 10.676 29.543 1.00 25.40 N
ATOM 442 CA HIS D 57 28.916 11.856 30.384 1.00 25.95 C
ATOM 443 C HIS D 57 29.802 11.667 31.595 1.00 27.82 C
ATOM 444 O HIS D 57 29.807 10.608 32.208 1.00 33.00 O
ATOM 445 CB HIS D 57 27.481 12.127 30.868 1.00 24.57 C
ATOM 446 CG HIS D 57 26.481 12.306 29.762 1.00 22.08 C
ATOM 447 ND1 HIS D 57 25.405 11.459 29.588 1.00 22.66 N
ATOM 448 CD2 HIS D 57 26.398 13.240 28.766 1.00 16.13 C
ATOM 449 CE1 HIS D 57 24.706 11.872 28.538 1.00 20.74 C
ATOM 450 NE2 HIS D 57 25.285 12.935 28.034 1.00 18.45 N
ATOM 451 N ILE D 58 30.530 12.706 31.973 1.00 29.64 N
ATOM 452 CA ILE D 58 31.362 12.627 33.173 1.00 31.08 C
ATOM 453 C ILE D 58 30.484 12.975 34.390 1.00 31.27 C
ATOM 454 O ILE D 58 29.357 13.470 34.237 1.00 27.78 O
ATOM 455 CB ILE D 58 32.637 13.524 33.068 1.00 28.55 C
ATOM 456 CG1 ILE D 58 32.273 15.010 33.038 1.00 31.26 C
ATOM 457 CG2 ILE D 58 33.404 13.173 31.795 1.00 27.28 C
ATOM 458 CD1 ILE D 58 33.479 15.933 32.907 1.00 33.86 C
ATOM 459 N ASP D 59 30.977 12.657 35.581 1.00 34.04 N
ATOM 460 CA ASP D 59 30.245 12.874 36.827 1.00 41.13 C
ATOM 461 C ASP D 59 29.739 14.282 37.042 1.00 40.11 C
ATOM 462 O ASP D 59 28.608 14.487 37.491 1.00 39.71 O
ATOM 463 CB ASP D 59 31.098 12.428 38.010 1.00 50.44 C
ATOM 464 CG ASP D 59 31.754 11.073 37.770 1.00 62.22 C
ATOM 465 OD1 ASP D 59 32.752 11.017 36.987 1.00 68.13 O
ATOM 466 OD2 ASP D 59 31.231 10.074 38.331 1.00 61.89 O
ATOM 467 N SER D 60 30.575 15.254 36.728 1.00 34.81 N
ATOM 468 CA SER D 60 30.202 16.644 36.900 1.00 30.43 C
ATOM 469 C SER D 60 29.028 16.995 35.997 1.00 27.40 C
ATOM 470 O SER D 60 28.274 17.925 36.277 1.00 29.41 O
ATOM 471 CB SER D 60 31.409 17.532 36.573 1.00 30.62 C
ATOM 472 OG SER D 60 31.816 17.308 35.238 1.00 31.84 O
ATOM 473 N GLN D 61 28.863 16.258 34.905 1.00 24.01 N
ATOM 474 CA GLN D 61 27.787 16.551 33.969 1.00 25.56 C
ATOM 475 C GLN D 61 26.400 16.086 34.357 1.00 30.80 C
ATOM 476 O GLN D 61 25.403 16.693 33.937 1.00 28.05 O
ATOM 477 CB GLN D 61 28.123 15.972 32.606 1.00 25.72 C
ATOM 478 CG GLN D 61 29.177 16.740 31.836 1.00 27.62 C
ATOM 479 CD GLN D 61 29.428 16.143 30.460 1.00 28.32 C
ATOM 480 OE1 GLN D 61 30.120 15.139 30.331 1.00 29.78 O
ATOM 481 NE2 GLN D 61 28.836 16.739 29.437 1.00 26.16 N
ATOM 482 N LYS D 62 26.325 14.971 35.077 1.00 30.10 N
ATOM 483 CA LYS D 62 25.043 14.394 35.489 1.00 31.91 C
ATOM 484 C LYS D 62 24.087 15.412 36.120 1.00 27.86 C
ATOM 485 O LYS D 62 22.922 15.492 35.746 1.00 28.41 O
ATOM 486 CB LYS D 62 25.285 13.199 36.428 1.00 39.20 C
ATOM 487 CG LYS D 62 26.166 12.073 35.833 1.00 45.75 C
ATOM 488 CD LYS D 62 25.541 11.469 34.562 1.00 53.16 C
ATOM 489 CE LYS D 62 26.435 10.416 33.884 1.00 57.99 C
ATOM 490 NZ LYS D 62 26.436 9.076 34.556 1.00 60.10 N
ATOM 491 N LYS D 63 24.567 16.205 37.064 1.00 22.53 N
ATOM 492 CA LYS D 63 23.712 17.222 37.670 1.00 24.95 C
ATOM 493 C LYS D 63 23.341 18.290 36.634 1.00 21.04 C
ATOM 494 O LYS D 63 22.216 18.758 36.604 1.00 23.78 O
ATOM 495 CB LYS D 63 24.392 17.848 38.899 1.00 30.18 C
ATOM 496 CG LYS D 63 25.770 18.522 38.629 1.00 41.50 C
ATOM 497 CD LYS D 63 26.499 18.990 39.924 1.00 43.79 C
ATOM 498 CE LYS D 63 27.930 19.481 39.636 1.00 39.07 C
ATOM 499 NZ LYS D 63 27.934 20.536 38.579 1.00 35.90 N
ATOM 500 N ALA D 64 24.249 18.600 35.713 1.00 22.27 N
ATOM 501 CA ALA D 64 23.970 19.622 34.703 1.00 21.65 C
ATOM 502 C ALA D 64 22.936 19.108 33.740 1.00 19.74 C
ATOM 503 O ALA D 64 22.234 19.875 33.102 1.00 19.04 O
ATOM 504 CB ALA D 64 25.207 19.998 33.950 1.00 20.70 C
ATOM 505 N ILE D 65 22.877 17.792 33.589 1.00 15.68 N
ATOM 506 CA ILE D 65 21.887 17.218 32.693 1.00 15.17 C
ATOM 507 C ILE D 65 20.483 17.401 33.285 1.00 14.76 C
ATOM 508 O ILE D 65 19.524 17.770 32.599 1.00 18.01 O
ATOM 509 CB ILE D 65 22.186 15.756 32.462 1.00 22.36 C
ATOM 510 CG1 ILE D 65 23.495 15.627 31.681 1.00 25.22 C
ATOM 511 CG2 ILE D 65 21.013 15.090 31.756 1.00 23.56 C
ATOM 512 CD1 ILE D 65 23.944 14.208 31.459 1.00 28.23 C
ATOM 513 N GLU D 66 20.371 17.109 34.566 1.00 11.74 N
ATOM 514 CA GLU D 66 19.106 17.268 35.249 1.00 17.06 C
ATOM 515 C GLU D 66 18.649 18.718 35.179 1.00 19.11 C
ATOM 516 O GLU D 66 17.467 19.005 34.954 1.00 22.69 O
ATOM 517 CB GLU D 66 19.262 16.816 36.694 1.00 16.56 C
ATOM 518 CG GLU D 66 19.541 15.325 36.793 1.00 20.84 C
ATOM 519 CD GLU D 66 18.564 14.518 35.932 1.00 24.77 C
ATOM 520 OE1 GLU D 66 17.332 14.635 36.167 1.00 27.80 O
ATOM 521 OE2 GLU D 66 18.993 13.835 34.987 1.00 17.72 O
ATOM 522 N ARG D 67 19.604 19.633 35.308 1.00 16.92 N
ATOM 523 CA ARG D 67 19.307 21.048 35.249 1.00 16.41 C
ATOM 524 C ARG D 67 18.796 21.474 33.878 1.00 12.69 C
ATOM 525 O ARG D 67 17.819 22.213 33.784 1.00 14.58 O
ATOM 526 CB ARG D 67 20.542 21.883 35.646 1.00 17.75 C
ATOM 527 CG ARG D 67 20.263 23.391 35.642 1.00 22.21 C
ATOM 528 CD ARG D 67 21.444 24.274 36.041 1.00 24.29 C
ATOM 529 NE ARG D 67 21.824 24.132 37.447 1.00 25.37 N
ATOM 530 CZ ARG D 67 21.203 24.729 38.459 1.00 30.36 C
ATOM 531 NH1 ARG D 67 20.161 25.525 38.222 1.00 31.94 N
ATOM 532 NH2 ARG D 67 21.621 24.537 39.711 1.00 29.73 N
ATOM 533 N MET D 68 19.452 21.008 32.828 1.00 14.29 N
ATOM 534 CA MET D 68 19.023 21.363 31.486 1.00 15.51 C
ATOM 535 C MET D 68 17.569 20.979 31.283 1.00 18.16 C
ATOM 536 O MET D 68 16.800 21.715 30.659 1.00 19.17 O
ATOM 537 CB MET D 68 19.889 20.678 30.446 1.00 16.17 C
ATOM 538 CG MET D 68 19.556 21.052 29.018 1.00 19.02 C
ATOM 539 SD MET D 68 19.742 22.813 28.687 1.00 20.19 S
ATOM 540 CE MET D 68 21.554 22.896 28.719 1.00 15.10 C
ATOM 541 N LYS D 69 17.209 19.782 31.726 1.00 18.92 N
ATOM 542 CA LYS D 69 15.835 19.344 31.585 1.00 20.21 C
ATOM 543 C LYS D 69 14.860 20.223 32.376 1.00 20.42 C
ATOM 544 O LYS D 69 13.757 20.514 31.901 1.00 18.46 O
ATOM 545 CB LYS D 69 15.713 17.866 31.938 1.00 22.37 C
ATOM 546 CG LYS D 69 16.155 16.954 30.791 1.00 22.65 C
ATOM 547 CD LYS D 69 16.155 15.469 31.174 1.00 19.21 C
ATOM 548 CE LYS D 69 17.220 15.178 32.233 1.00 19.15 C
ATOM 549 NZ LYS D 69 17.408 13.724 32.450 1.00 16.03 N
ATOM 550 N ASP D 70 15.263 20.692 33.558 1.00 15.69 N
ATOM 551 CA ASP D 70 14.393 21.573 34.338 1.00 15.16 C
ATOM 552 C ASP D 70 14.237 22.845 33.543 1.00 13.23 C
ATOM 553 O ASP D 70 13.161 23.413 33.458 1.00 12.10 O
ATOM 554 CB ASP D 70 15.030 21.937 35.665 1.00 18.54 C
ATOM 555 CG ASP D 70 15.169 20.750 36.602 1.00 22.42 C
ATOM 556 OD1 ASP D 70 14.465 19.738 36.428 1.00 21.72 O
ATOM 557 OD2 ASP D 70 15.995 20.843 37.526 1.00 21.19 O
ATOM 558 N THR D 71 15.352 23.288 32.975 1.00 11.24 N
ATOM 559 CA THR D 71 15.356 24.501 32.180 1.00 15.25 C
ATOM 560 C THR D 71 14.441 24.404 30.959 1.00 16.66 C
ATOM 561 O THR D 71 13.614 25.290 30.723 1.00 14.97 O
ATOM 562 CB THR D 71 16.791 24.902 31.766 1.00 17.21 C
ATOM 563 OG1 THR D 71 17.525 25.275 32.942 1.00 16.56 O
ATOM 564 CG2 THR D 71 16.785 26.089 30.810 1.00 11.08 C
ATOM 565 N LEU D 72 14.598 23.339 30.182 1.00 14.20 N
ATOM 566 CA LEU D 72 13.774 23.178 29.005 1.00 13.52 C
ATOM 567 C LEU D 72 12.299 23.106 29.352 1.00 16.58 C
ATOM 568 O LEU D 72 11.458 23.698 28.672 1.00 16.39 O
ATOM 569 CB LEU D 72 14.200 21.926 28.268 1.00 14.16 C
ATOM 570 CG LEU D 72 15.649 21.969 27.813 1.00 15.96 C
ATOM 571 CD1 LEU D 72 15.992 20.695 27.110 1.00 17.47 C
ATOM 572 CD2 LEU D 72 15.870 23.147 26.885 1.00 16.64 C
ATOM 573 N ARG D 73 11.985 22.382 30.428 1.00 18.16 N
ATOM 574 CA ARG D 73 10.582 22.245 30.816 1.00 18.53 C
ATOM 575 C ARG D 73 9.950 23.591 31.102 1.00 20.91 C
ATOM 576 O ARG D 73 8.858 23.895 30.617 1.00 19.18 O
ATOM 577 CB ARG D 73 10.432 21.379 32.063 1.00 16.25 C
ATOM 578 CG ARG D 73 9.004 21.292 32.579 1.00 13.90 C
ATOM 579 CD ARG D 73 8.904 20.270 33.696 1.00 14.75 C
ATOM 580 NE ARG D 73 9.828 20.573 34.792 1.00 19.56 N
ATOM 581 CZ ARG D 73 10.195 19.717 35.750 1.00 19.15 C
ATOM 582 NH1 ARG D 73 9.718 18.477 35.765 1.00 19.81 N
ATOM 583 NH2 ARG D 73 11.066 20.113 36.675 1.00 20.46 N
ATOM 584 N ILE D 74 10.643 24.389 31.903 1.00 19.44 N
ATOM 585 CA ILE D 74 10.129 25.690 32.282 1.00 18.04 C
ATOM 586 C ILE D 74 10.115 26.701 31.139 1.00 17.05 C
ATOM 587 O ILE D 74 9.184 27.494 31.038 1.00 15.66 O
ATOM 588 CB ILE D 74 10.857 26.244 33.539 1.00 24.09 C