ProTour8.kin

@text 
"THE PROTEIN TOURIST #8 - THE T-R, DEOXY-OXY TRANSITION IN HUMAN HEMOGLOBIN"
David Richardson, Celia Bonaventura, and Jane Richardson

Kin.1- Hb tetramer: deoxy vs oxy transition animated
Kin.2- Hb T-R transition:  alpha chain and heme closeup
Kin.3- The alpha1-beta2 allosteric interface
Kin.4- Alpha1-alpha2 salt bridges
Kin.5- Beta2 salt bridges
  Then return to Kin.1, to correlate details with overview

     For hemoglobin, its function as an oxygen-carrier in the blood is fundamentally linked to the equilibrium between the two main states of its quaternary structure, known as the unliganded "deoxy" or "T state" versus the liganded "oxy" or "R state".  We will use animated kinemages to illustrate the structural changes that occur during this transition and how such changes result in important functional properties, such as cooperativity of oxygen binding and allosteric control by pH and anions.  Hemoglobin is not a pure two-state system, but the T to R transition provides the major, first-level explanation of its function and is the focus of this ProTour.
     The hemoglobin molecule (which we will sometimes abbreviate as "Hb") is a tetramer of two alpha and two beta chains;  in human they contain 141 and 146 residues respectively.  They are different but homologous, and they share an all-helical tertiary structure known as the "globin fold".  In all of these kinemages, the deoxy T state is shown in shades of blue and the liganded R state in shades of pink, with the alpha chains slightly paler than the beta chains.
     The two crystal structures illustrated here are human deoxy hemoglobin, which is in the T-state quaternary structure with no ligands at the O2-binding site, and human carbonmonoxy hemoglobin, which is in the R-state quaternary structure and has ligands at all 4 sites.  These two were the first matched pair of Hb structures solved at fairly high resolution, and were the subject of detailed comparisons (Baldwin & Chothia).  Protein Data Bank (PDB) files 3HHB and 1HCO do not need to be realigned for most comparisons, although they include only a non-redundant half-dimer;  the full tetramer coordinates are available on-line from Brookhaven (130.199.144.1) in directory /user_group/biological_units, as files pdb3hhb.bio and pdb1hco.bio.

     Kinemage 1 shows multiple views of the quaternary-structure change for a tetramer of human hemoglobin.  Click on the "ANIMATE" button to change between the T-state (deoxy) and R-state (oxy) forms.  The unliganded T-state is shown in shades of blue (bluetint alpha-chains, cyan betas, and skyblue hemes) and the liganded R-state is in shades of pink (pinktint alphas, pink betas, and hotpink hemes), suggestive of the change in color between deoxygenated and oxygenated blood.  The structure is simplified by showing only the Calpha backbones.  View1 looks down one of the approximate 2-fold axes, with alpha subunits at the top and beta subunits at the bottom.  Notice that the hemes are quite far apart, so that their interactions must be mediated by the protein.  The unliganded (deoxy) form is called the "T" (for "tense") state because it contains extra stabilizing interactions between the subunits , which we will see in detail in Kin. 4 and 5.  In the high-affinity R-state conformation the interactions which oppose oxygen binding and stabilize the tetramer are somewhat weaker or "relaxed".  In some organisms this difference is so pronounced that their Hb molecules dissociate into dimers in the oxygenated form.  Liganded human Hb will also dissociate when diluted, which poses problems for cell-free Hb-based blood substitutes because the dissociated protein is rapidly excreted.
     Try animating in View2 (choose from the "Views" pulldown menu), which looks down the exact crystallographic 2-fold axis from the Beta1-Beta2 end.  The yellowtint crosses are phosphate sites present in deoxy but not oxy Hb.  In oxy Hb, the beta subunits move closer together, squeezing out phosphates (such as 2,3 DPG), and allowing the N- and C-termini to interact.  DPG and other phosphates bind very much more strongly to the deoxy quaternary structure;  therefore they necessarily push the equilibrium toward deoxy Hb, and because of that they decrease O2 affinity.  Such regulatory phosphate molecules are useful in the blood, because their concentrations can be controlled to shift the Hb O2-binding curve so that it is working across the steepest and most efficient part under conditions in the lungs and tissues..
     The interactions between alpha and beta subunits are critical for cooperativity in oxygen binding.  To the first approximation, the Hb molecule consists of two "dimers" (Alpha1-Beta1 and Alpha2-Beta2) which rotate relative to each other as rigid bodies in the R-T transition.  View3 looks down the approximate axis around which those Alpha1-Beta1 dimers rotate.  Animate with all 4 subunits present, and then turn off Alpha2 and Beta2 in each form to see the rotation for just one dimer.  The Alpha1-Beta1 unit undergoes relatively little internal rearrangement, but its overall rotation is considerable.  The net rotation of the two dimers alters their interactions with one another, most notably at the allosteric effector site between Beta1 and Beta2 (which we saw in View2) and at the important Alpha1-Beta2 interface (see Kin. 3) where mutations have the largest effect on Hb allosteric properties.
     After looking at all the other kinemages, come back to this one to see some of those details in the context of the overall tetramer movements.

     Kinemage 2 shows a single alpha chain of hemoglobin, starting with an overview of the subunit.  The 6 major and 2 short alpha-helices that make up the structure of a Hb subunit (the "globin fold") are labeled A through H, which is the traditional naming scheme.  For example, the proximal histidine (the tightest protein Fe ligand) is often called His F9, since it is residue 9 on helix F (it is residue 87 in the human alpha chain).  The helices form an approximately-cylindrical bundle, with the heme and its central Fe atom bound in a hydrophobic pocket between the E and F helices.
     Turn on the "highlights" button and choose View2, which is a closeup around the heme O2-binding site.  Click the "animate" button to cycle between the deoxy and oxy forms.  For this kinemage the two alpha1 heme groups were superimposed on each other, to give a local comparison at this site.  The heme is quite domed in the blue T-state (deoxy) form, with the 5-coordinate, high-spin Fe (yellow ball) out of the plane.  In the pink R-state form a CO molecule is bound at the left, the Fe, now 6-coordinate, low-spin has moved into the heme plane which has flattenened.  The proximal His (at right) connects the Fe to helices on the proximal side, making the Fe position sensitive to changes in the globin structure and vice versa.  Remember that this kinemage shows a subunit in the all-unliganded versus the all-liganded states of Hb;  when oxygen binds to just one subunit, then its internal structure undergoes some but not all of these changes, depending on conditions.   
     View3 is from an angle that shows the binding site more clearly.  O2 binds in the same place as CO, with similar effects on the structure;  however, for O2 the outer atom is angled rather than straight.  The equilibrium between free and bound O2 is very rapid, with on and off rates that are sensitive to protein conformation.  Both CO and NO dissociate from the Fe atom very slowly, so that these gases act as respiratory poisons.  The alpha and beta chains differ somewhat in their rates and relative affinities for O2 and other ligands, by virtue of heme-pocket differences, but the differences between affinities in the R vs T quaternary states are much larger.
     Both alpha and beta chains of Hb resemble myoglobin (the single-chain O2-binder in muscle), both in overall tertiary structure and in using an Fe atom centered in a heme group as the site where oxygen is reversibly bound.  The heme is surrounded by a hydrophobic pocket, which is necessary in order for it to bind oxygen reversibly without undergoing oxidation or other undesirable reactions.  Choose View4 and turn on "Hphobics" temporarily to see some of the hydrophobic sidechains that form the heme pocket.  They actually surround the binding site so thoroughly that O2 cannot get in or out without parts of the protein moving out of the way a bit, so that its dynamic properties are essential to have any O2 binding at all;  this restrictive process also increases the specificity of ligand binding.
     The shift between R and T state requires subunit interactions and does not occur in myoglobin, or in isolated alpha or beta chain monomers.  These monomers bind O2 quite tightly, which would work well for loading O2 in the lungs but would not allow unloading it for delivery to the tissues.  Therefore, the central critical feature of hemoglobin function is how it achieves, uses, and allosterically controls cooperativity between the 4 binding sites in the tetramer to tune O2 binding for satisfying physiological needs.
     The binding-site linkage to changes in protein conformation are illustrated in View5 (centered near the OH of Tyr 140), which shows ligand-dependent changes in the region from the heme out to the subunit interface.  Linkage of the heme Fe through the proximal His results in tertiary-structure changes that can then transmit their effects to other subunits in the tetrameric assemblage.  This allows O2 binding in one subunit to indirectly affect the affinitiy of other subunits.  Briefly, inside the alpha chains the R/T equilibrium is reflected in changes in Fe spin state and position as it moves in or out of the heme plane;  the proximal His changes distance and angle relative to the heme;  the F helix shifts;  Tyr 140 moves and its H-bond to backbone weakens; and both the C-terminus of the chain and Arg 141 move significantly at the interface.  Changes at the subunit interface (coupled with changes at the Fe, as we have seen) alter the equilibrium between the deoxy and oxy quaternary structures, and conversely a change of quaternary structure alters the balance between the two states inside a given subunit.  Each O2 that binds increases the likelihood of switching the tetramer into the oxy state, and once it switches, the O2 affinity at all sites increases because the local structure changes have either already occurred or are easier to make.
     View6 backs off to show the entire alpha1 subunit, but centered for the whole tetramer (deoxy form), as it was seen in View1 of Kinemage 1.  Turn on "axes" to see the 2-fold axes of symmetry of the tetramer.

     Kinemage 3 shows the critical Alpha1-Beta2 interface, where the subunits shift against each other between deoxy T and oxy R states.  The startup view is an overview.  Although the symmetry is not exact, similar parts of the subunits contact each other:  the C helix, and the "FG corner" between helices F and G.  Animate repeatedly, to see the relative motion of these two subunits, with a fairly stationary "hinge" near the top and a larger "ratchet" motion near the bottom.  View2 emphasizes the ratchet contact between the C helix of Alpha1 and the FG corner of Beta2; His 97 of the Beta2 FG corner makes a large jump against Thr 38 and Thr 41 of the Alpha1 C helix.  View3 emphasizes the hinge contact, where the motions are mainly rotations without much shift, between the Alpha1 FG corner and the Beta2 C helix.   "Labels" help identify these parts.  Since this is a complex motion orchestrated between the fit of two quite different sets of contacts in the two states, this interface is critical to making Hb allostery work, and mutations of residues in this interface have been found to be especially likely to influence cooperativity and allostery.

	Kinemage 4 shows the salt links between Alpha1 and Alpha2, which stabilize the deoxy form.  View1 is an overview down the exact 2-fold axis between the subunits, showing that there are two equivalent sets of interactions, on either side of the twofold.  View2 is a closeup to see the making and breaking of these interactions.  Note that Tyr 140 -OH stays close to the carbonyl oxygen of Val 93 in the FG corner, and that Lys 127 from Alpha2 has a strong salt-link to the carboxy terminus of Alpha1 in the deoxy form and in the oxy form has a weaker H-bond to a mainchain carbonyl oxygen. 

	Kinemage 5 shows the salt links at the C-terminus of Beta2, which stabilize the deoxy T form and make a large contribution to the pH dependence of oxygen binding, known as the Bohr Effect .  View1 is an overview, from a similar view as in Kin. 3, but this time emphasizing the charged interactions near the C-terminus of the beta chain.  View2 is a closeup to see the making and breaking of these interactions.  Note that Tyr 145 -OH stays close to the carbonyl oxygen of Val 93 in the FG corner, while His b 146 moves a great deal, disrupting the salt link (charged H-bond) to Asp b 94 that is formed in the T state.  Since His titrates near physiological pH, this interaction is quite pH sensitive.  At low pH, when more protons are present, the His ring N is more likely to be protonated and positive;  this strengthens its H-bond with Asp 94, thus favoring the T state and decreasing O2 affinity.  There is also a contribution to the Bohr Effect by charged sidechains in the central cavity of the tetramer, where for instance the anion binding that favors the T state is pH dependent.  The pH effect, or Bohr Effect, can be considered as allosteric regulation by the binding of protons.  It is important biologically, because it promotes oxygen unloading in the tissues where proton concentrations are elevated, for instance by the production of lactic acid in muscle.

	To see some of these critical subunit interactions in the context of the whole hemoglobin tetramer, click here:  *{Kinemage 1, View 5, master= {details} on}*.  Animate, to see details of the T-R changes in the contacts at the allosteric interface between alpha1 and beta2.  Choose View6 to see the formation and breakage of the His b 146 salt link, as described in Kin. 5.  Choose View7 to look down the central cavity of the tetramer, this time from the alpha1-alpha2 end.  

    Coordinates from Brookhaven Data Bank files: 3HHB & 1HCO (human deoxy hemoglobin vs human CO "oxy")
    References, for further information:
         To the structures used here:
  Baldwin (1980) "The crystal structure of human carbonmonoxy haemoglobin at 2.7A resolution", J. Mol. Biol. 136: 103.  (file 1HCO)
  Fermi, Perutz, Shaanan, & Fourme (1984) "The crystal structure of human deoxy haemoglobin at 1.74A resolution", J. Mol. Biol. 175: 159.  (file 3HHB)
        General treatments of Hb allostery:
  Perutz (1970) "Stereochemistry of cooperative effects in haemoglobin", Nature 228: 726
  Baldwin & Chothia (1979) "Haemoglobin.  The structural changes related to ligand binding and its allosteric mechanism", J. Mol. Biol. 129: 175.
  Dickerson & Geis (1983) "Hemoglobin: Structure, Function, and Pathology", Benjamin/Cummings Publ., Menlo Park, CA
  Perutz (1989) "Mechanisms of cooperativity and allosteric regulation in proteins", Quarterly Rev. of Biophys. 22: 139-236
  Ackers, Doyle, Myers, & Daugherty (1992) "Molecular code for cooperativity in hemoglobin", Science 255: 54
  Perutz, Fermi, Poyart, Pagnier, & Kister (1993) "A novel allosteric mechanism in haemoglobin:  Structure of bovine deoxyhaemoglobin, absence of specific chloride binding sites, and orogin of the chloride-linked Bohr Effect in bovine and human haemoglobin", J. Mol. Biol. 233: 536
        Recent Hb structures in other quaternary states or intermediates:
  Silva, Rogers, & Arnone (1992) "A third quaternary structure of human hemoglobin A at 1.7A resolution", J. Biol. Chem. 267: 17248
  Smith, Lattman, & Carter (1991) "The mutation beta99 Asp-Tyr stabilizes Y - A new, composite quaternary state of human hemoglobin", Proteins: Struct., Funct., Genet. 10: 81
  Liddington, Derewenda, Dodson, Hubbard, & Dodson (1992) "High resolution crystal structures and comparisons of T state deoxyhaemoglobin and two liganded T-state haemoglobins: T(alpha-oxy)haemoglobin and T(met)Haemoglobin", J. Mol. Biol. 228: 551

@kinemage 1
@caption 
Hemoglobin tetramer -  deoxy (blue shades) vs oxy (pink shades) animation.  View2 looks down the central cavity, which is wider in the deoxy state, forming phosphate sites.  View3 shows the quaternary structure change as rigid rotations of Alpha-Beta dimers (turn off alpha2 and beta2 in both forms).  After looking at all the other kinemages, come back to this one and animate in Views 5-7 with "details" turned on.
@onewidth 
@zoom 1.12
@zslab 180
@center 0. 0. -1.
@matrix <standard>
-1 0 0  0 1 0  0 0 -1
@2viewid {PO4 site, 2fold}
@2matrix
-1 0 0  0 0 -1  0 -1 0 
@3viewid {dimer rot}
@3center 5. 0 0
@3matrix
-.70385 .003455 -.71034 -.004313 .999949 .009138 .710335 .009495 -.703799

@5viewid {details a1-b2}
@5zoom 1.18
@5zslab 120
@5center -.098 -.008 -7.999
@5matrix
-.99992 -.00115 -.01223 -.00114  1.0 -.00106 .01223 -.00104 -.99993
@6viewid {His b 146}
@6zoom 2.04
@6zslab 120
@6center 3.231 -13.27 -13.18
@6matrix
-.89403 -.07039 .44243 -.12314 .98815 -.09161 -.43074 -.13638 -.89212
@7viewid {cavity a-a}
@7zoom 1.12 
@7zslab 200 
@7center 0. 0. 0.
@7matrix 
0.99996 -0.00395  0.00789 -0.00775  0.03544  0.99934 -0.00422 -0.99937  0.03541

@group {axes} dominant
@vectorlist {axes} color=sea
{center} P 0 0 0 0 0 0
P -30 0 0 0 0 0
30 0 0
P 0 -30 0 0 -20 0
0 0 0
0 20 0
0 30 0
P 0 0 -30 0 0 0
0 0 30
@group {deoxy} animate
@subgroup dominant {alpha1} 
@vectorlist {ca-ca} color= bluetint master= {ca-ca}
{ca val a1 1}P 7.06 17.792 4.76 {ca val a1 1}7.06 17.792 4.76
{ca leu a1 2}10.785 18.159 4.237
{ca ser a1 3}12.492 19.934 7.127
{ca pro a1 4}15.511 22.192 6.331
{ca ala a1 5}17.676 19.403 7.724
{ca asp a1 6}16.059 16.945 5.311
{ca lys a1 7}16.809 19.277 2.425
{ca thr a1 8}20.41 19.643 3.508
{ca asn a1 9}20.715 15.845 3.737
{ca val a1 10}19.208 15.283 0.296
{ca lys a1 11}21.393 17.926 -1.357
{ca ala a1 12}24.474 16.497 0.269
{ca ala a1 13}23.747 12.921 -0.738
{ca trp a1 14}22.645 13.719 -4.242
{ca gly a1 15}25.65 15.995 -4.59
{ca lys a1 16}27.926 12.981 -4.
{ca val a1 17}25.899 11.07 -6.587
{ca gly a1 18}26.822 13.8 -9.05
{ca ala a1 19}27.749 12.396 -12.429
{ca his a1 20}26.775 8.793 -11.715
{ca ala a1 21}23.135 9.749 -11.417
{ca gly a1 22}22.226 8.131 -14.747
{ca glu a1 23}24.091 4.921 -13.981
{ca tyr a1 24}22.375 4.686 -10.602
{ca gly a1 25}19.009 5.348 -12.224
{ca ala a1 26}19.466 2.37 -14.535
{ca glu a1 27}20.608 0.151 -11.695
{ca ala a1 28}17.549 1.057 -9.635
{ca leu a1 29}15.308 0.145 -12.566
{ca glu a1 30}17.005 -3.199 -13.017
{ca arg a1 31}16.68 -3.889 -9.304
{ca met a1 32}12.978 -3.07 -9.533
{ca phe a1 33}12.322 -5.344 -12.527
{ca leu a1 34}14.025 -8.281 -10.823
{ca ser a1 35}12.66 -7.82 -7.301
{ca phe a1 36}9.137 -6.759 -8.291
{ca pro a1 37}8.342 -8.369 -11.658
{ca thr a1 38}4.849 -6.856 -11.722
{ca thr a1 39}6.476 -3.521 -12.607
{ca lys a1 40}7.553 -4.934 -15.967
{ca thr a1 41}3.927 -4.747 -17.127
{ca tyr a1 42}4.518 -1.055 -17.836
{ca phe a1 43}7.479 -1.702 -20.098
{ca pro a1 44}6.334 -4.397 -22.635
{ca his a1 45}7.962 -2.357 -25.415
{ca phe a1 46}11.432 -2.435 -23.847
{ca asp a1 47}14.29 -4.839 -24.019
{ca leu a1 48}14.678 -5.353 -20.284
{ca ser a1 49}17.773 -7.517 -20.525
{ca his a1 50}20.777 -6.497 -18.516
{ca gly a1 51}22.63 -3.57 -19.979
{ca ser a1 52}19.977 -2.649 -22.471
{ca ala a1 53}20.311 0.826 -23.967
{ca gln a1 54}16.593 1.4 -23.402
{ca val a1 55}16.91 0.869 -19.673
{ca lys a1 56}20.094 2.915 -19.437
{ca gly a1 57}18.423 5.705 -21.382
{ca his a1 58}15.363 5.641 -19.208
{ca gly a1 59}17.493 5.51 -16.061
{ca lys a1 60}19.172 8.703 -17.119
{ca lys a1 61}15.838 10.427 -17.638
{ca val a1 62}14.611 9.36 -14.22
{ca ala a1 63}17.821 10.532 -12.625
{ca asp a1 64}17.728 13.918 -14.356
{ca ala a1 65}14.184 14.472 -13.123
{ca leu a1 66}15.3 13.708 -9.573
{ca thr a1 67}18.227 16.077 -10.02
{ca asn a1 68}15.703 18.709 -11.11
{ca ala a1 69}13.613 17.966 -8.031
{ca val a1 70}16.577 18.335 -5.662
{ca ala a1 71}17.455 21.68 -7.26
{ca his a1 72}13.887 22.876 -6.723
{ca val a1 73}13.047 21.103 -3.544
{ca asp a1 74}11.131 24.179 -2.275
{ca asp a1 75}8.993 24.209 -5.411
{ca met a1 76}8.636 20.6 -6.568
{ca pro a1 77}4.938 20.764 -7.783
{ca asn a1 78}5.955 23.366 -10.347
{ca ala a1 79}9.243 21.84 -11.303
{ca leu a1 80}7.705 18.422 -11.994
{ca ser a1 81}4.416 19.724 -13.447
{ca ala a1 82}4.959 18.276 -16.925
{ca leu a1 83}5.964 14.919 -15.461
{ca ser a1 84}2.869 14.72 -13.246
{ca asp a1 85}0.713 15.445 -16.288
{ca leu a1 86}2.515 12.731 -18.208
{ca his a1 87}2.094 10.06 -15.577
{ca ala a1 88}-1.478 11.037 -14.766
{ca his a1 89}-2.929 11.277 -18.255
{ca lys a1 90}-0.735 9.142 -20.422
{ca leu a1 91}1.384 6.528 -18.674
{ca arg a1 92}-1.119 5.987 -15.826
{ca val a1 93}1.148 3.881 -13.67
{ca asp a1 94}-0.654 2.617 -10.574
{ca pro a1 95}0.556 4.665 -7.552
{ca val a1 96}1.726 1.549 -5.661
{ca asn a1 97}4.639 1.154 -8.075
{ca phe a1 98}6.198 4.46 -7.011
{ca lys a1 99}6.97 2.914 -3.654
{ca leu a1 100}8.699 0.027 -5.281
{ca leu a1 101}10.965 2.199 -7.388
{ca ser a1 102}11.65 4.449 -4.389
{ca his a1 103}12.814 1.47 -2.37
{ca cys a1 104}15.097 0.286 -5.174
{ca leu a1 105}16.567 3.758 -5.55
{ca leu a1 106}17.285 3.775 -1.814
{ca val a1 107}18.979 0.366 -2.091
{ca thr a1 108}21.061 1.595 -5.018
{ca leu a1 109}22.19 4.656 -3.075
{ca ala a1 110}23.011 2.496 -0.044
{ca ala a1 111}25.155 0.207 -2.171
{ca his a1 112}27.15 3.085 -3.625
{ca leu a1 113}27.409 5.616 -0.83
{ca pro a1 114}28.861 3.639 2.11
{ca ala a1 115}29.932 6.735 4.025
{ca glu a1 116}26.954 9.054 3.194
{ca phe a1 117}24.068 6.712 3.876
{ca thr a1 118}23.71 7.392 7.595
{ca pro a1 119}20.419 6.648 9.455
{ca ala a1 120}19.477 10.327 9.297
{ca val a1 121}20.262 10.609 5.592
{ca his a1 122}18.365 7.388 4.908
{ca ala a1 123}15.346 8.891 6.637
{ca ser a1 124}15.621 12.141 4.687
{ca leu a1 125}16.003 10.345 1.363
{ca asp a1 126}12.985 8.125 1.989
{ca lys a1 127}10.972 11.202 2.834
{ca phe a1 128}12.173 12.96 -0.255
{ca leu a1 129}11.281 10.065 -2.562
{ca ala a1 130}7.844 9.886 -0.977
{ca ser a1 131}7.347 13.584 -1.7
{ca val a1 132}8.414 13.161 -5.311
{ca ser a1 133}6.011 10.219 -5.591
{ca thr a1 134}3.197 12.314 -4.12
{ca val a1 135}3.793 15.101 -6.623
{ca leu a1 136}3.962 12.711 -9.576
{ca thr a1 137}0.611 11.148 -8.601
{ca ser a1 138}-1.049 14.479 -7.722
{ca lys a1 139}-3.183 14.822 -10.789
{ca tyr a1 140}-4.347 11.247 -11.236
{ca arg a1 141}-7.922 12.248 -10.253
@labellist {a1} color= green master= {details} off
{ C} <a1>  3.927, -4.747, -17.127 
{ FG} <a1> -1.119, 5.987, -15.826 
@balllist {mco} color= red radius= .2 master= {details} off
{o arg a 141} -7.112 13.967 -8.853
{oxt arg a 141} -9.233 14.024 -9.296
@vectorlist {mc} color= bluetint  master= {details} off
{ca arg a 141}P -7.922 12.248 -10.253
{c arg a 141}-8.119 13.499 -9.393
{o arg a 141}-7.112 13.967 -8.853
{c arg a 141}P -8.119 13.499 -9.393 {oxt arg a 141}-9.233 14.024 -9.296
@vectorlist {heme a1} color= sky master= {hemes}
{fe hem a 1}P 8.128 7.371 -15.022 {n a hem a 1}9.297 8.665 -16.114
{c1a hem a 1}9.277 8.77 -17.486
{cha hem a 1}P 8.617 7.879 -18.361 {c1a hem a 1}9.277 8.77 -17.486
{c2a hem a 1}10.083 9.898 -17.902
{c3a hem a 1}10.565 10.493 -16.781
{cma hem a 1}11.526 11.66 -16.723
{chb hem a 1}P 10.356 10.005 -14.319 {c4a hem a 1}10.077 9.723 -15.665
{c2a hem a 1}P 10.083 9.898 -17.902 {caa hem a 1}10.393 10.337 -19.313
{cba hem a 1}9.365 11.341 -19.815
{cga hem a 1}9.671 11.842 -21.211
{o1a hem a 1}9.887 11.056 -22.136
{cga hem a 1}P 9.671 11.842 -21.211 {o2a hem a 1}9.625 13.056 -21.408
{fe hem a 1}P 8.128 7.371 -15.022 {n b hem a 1}9.168 8.079 -13.32
{c1b hem a 1}9.946 9.212 -13.233
{chb hem a 1}P 10.356 10.005 -14.319 {c1b hem a 1}9.946 9.212 -13.233
{c2b hem a 1}10.302 9.447 -11.862
{c3b hem a 1}9.728 8.454 -11.115
{cab hem a 1}9.59 8.396 -9.638
{cbb hem a 1}10.691 8.596 -8.83
{chc hem a 1}P 8.307 6.456 -11.669 {c4b hem a 1}9.022 7.603 -12.041
{c2b hem a 1}P 10.302 9.447 -11.862 {cmb hem a 1}11.063 10.66 -11.372
{fe hem a 1}P 8.128 7.371 -15.022 {n c hem a 1}7.633 5.649 -13.939
{c1c hem a 1}7.771 5.509 -12.561
{chc hem a 1}P 8.307 6.456 -11.669 {c1c hem a 1}7.771 5.509 -12.561
{c2c hem a 1}7.28 4.206 -12.15
{c3c hem a 1}6.89 3.555 -13.29
{cac hem a 1}6.411 2.147 -13.471
{cbc hem a 1}6.761 1.083 -12.643
{chd hem a 1}P 6.928 4.145 -15.725 {c4c hem a 1}7.159 4.444 -14.39
{c2c hem a 1}P 7.28 4.206 -12.15 {cmc hem a 1}7.147 3.727 -10.723
{fe hem a 1}P 8.128 7.371 -15.022 {n d hem a 1}7.783 6.249 -16.697
{c1d hem a 1}7.257 4.983 -16.797
{chd hem a 1}P 6.928 4.145 -15.725 {c1d hem a 1}7.257 4.983 -16.797
{c2d hem a 1}7.067 4.635 -18.184
{c3d hem a 1}7.514 5.673 -18.927
{cad hem a 1}7.618 5.696 -20.432
{cbd hem a 1}8.947 5.143 -20.947
{cgd hem a 1}9.047 5.155 -22.461
{o1d hem a 1}10.139 5.458 -22.959
{cgd hem a 1}P 9.047 5.155 -22.461 {o2d hem a 1}8.096 4.833 -23.177
{cha hem a 1}P 8.617 7.879 -18.361 {c4d hem a 1}7.975 6.684 -17.991
{c2d hem a 1}P 7.067 4.635 -18.184 {cmd hem a 1}6.332 3.425 -18.716
{n a hem a 1}P 9.297 8.665 -16.114 {c4a hem a 1}10.077 9.723 -15.665
{c3a hem a 1} 10.565 10.493 -16.781
{n b hem a 1}P 9.168 8.079 -13.32 {c4b hem a 1}9.022 7.603 -12.041
{c3b hem a 1} 9.728 8.454 -11.115
{n c hem a 1}P 7.633 5.649 -13.939 {c4c hem a 1}7.159 4.444 -14.39
{c3c hem a 1} 6.89 3.555 -13.29
{n d hem a 1}P 7.783 6.249 -16.697 {c4d hem a 1}7.975 6.684 -17.991
{c3d hem a 1} 7.514 5.673 -18.927
@balllist {scn a1} color= blue radius= .2 master= {details} off
{ne arg a 141} -8.517 9.076 -6.403
{nh1 arg a 141} -10.15 7.487 -6.019
{nh2 arg a 141} -8.725 8.129 -4.343
@vectorlist {sc} color= green  master= {details} off
{ca arg a 141}P -7.922 12.248 -10.253 {cb arg a 141}-8.639 11.005 -9.687
{cg arg a 141}-8.153 10.551 -8.308
{cd arg a 141}-8.914 9.319 -7.796
{ne arg a 141}-8.517 9.076 -6.403
{cz arg a 141}-9.142 8.234 -5.593
{nh1 arg a 141}-10.15 7.487 -6.019
{cz arg a 141}P -9.142 8.234 -5.593 {nh2 arg a 141}-8.725 8.129 -4.343
@balllist {5scn a1} color= blue radius= .2 master= {details} off
{nz lys a 40} 10.315 -10.402 -15.792
@vectorlist {5sc} color= green master= {details} off
{ca lys a 40}P 7.553 -4.934 -15.967 {cb lys a 40}8.101 -6.315 -16.271
{cg lys a 40}9.387 -6.733 -15.579
{cd lys a 40}9.516 -8.182 -16.019
{ce lys a 40}10.498 -9.049 -15.255
{nz lys a 40}10.315 -10.402 -15.792
@subgroup dominant {beta1} 
@vectorlist {ca-ca} color= cyan master= {ca-ca}
{ca val b1 1}P 8.824 -20.084 -0.109 {ca val b1 1}8.824 -20.084 -0.109
{ca his b1 2}10.108 -21.007 -3.495
{ca leu b1 3}13.682 -20.145 -4.31
{ca thr b1 4}15.613 -21.547 -7.228
{ca pro b1 5}18.796 -23.341 -6.018
{ca glu b1 6}20.82 -20.435 -7.34
{ca glu b1 7}18.733 -18.011 -5.295
{ca lys b1 8}19.064 -20.224 -2.247
{ca ser b1 9}22.809 -20.449 -2.556
{ca ala b1 10}23.001 -16.672 -3.076
{ca val b1 11}21.113 -16.026 0.163
{ca thr b1 12}23.105 -18.604 2.109
{ca ala b1 13}26.507 -17.393 0.911
{ca leu b1 14}25.927 -13.742 1.781
{ca trp b1 15}24.451 -14.599 5.149
{ca gly b1 16}27.575 -16.521 6.176
{ca lys b1 17}29.326 -13.149 6.186
{ca val b1 18}26.788 -11.342 8.339
{ca asn b1 19}27.551 -10.365 11.936
{ca val b1 20}24.039 -11.026 13.171
{ca asp b1 21}24.414 -8.911 16.321
{ca glu b1 22}25.702 -5.864 14.432
{ca val b1 23}23.299 -6.042 11.49
{ca gly b1 24}20.426 -6.705 13.881
{ca gly b1 25}21.122 -3.586 15.931
{ca glu b1 26}21.483 -1.564 12.802
{ca ala b1 27}18.307 -2.753 11.131
{ca leu b1 28}16.13 -2.273 14.194
{ca gly b1 29}17.665 1.129 14.885
{ca arg b1 30}17.096 2.329 11.356
{ca leu b1 31}13.522 1.025 11.48
{ca leu b1 32}12.932 3.224 14.511
{ca val b1 33}14.593 6.225 12.852
{ca val b1 34}13.164 6.097 9.345
{ca tyr b1 35}9.663 5.049 10.45
{ca pro b1 36}9.364 6.633 13.921
{ca trp b1 37}5.822 5.428 14.548
{ca thr b1 38}7.332 1.96 15.089
{ca gln b1 39}8.758 3.377 18.351
{ca arg b1 40}5.276 2.785 19.732
{ca phe b1 41}6.278 -0.702 20.975
{ca phe b1 42}9.455 0.334 22.689
{ca glu b1 43}8.932 3.134 25.167
{ca ser b1 44}10.265 0.862 27.873
{ca phe b1 45}13.598 1.224 26.037
{ca gly b1 46}14.735 4.665 27.135
{ca asp b1 47}15.912 7.548 24.984
{ca leu b1 48}14.763 7.317 21.354
{ca ser b1 49}14.607 11.072 20.714
{ca thr b1 50}17.41 11.475 18.145
{ca pro b1 51}19.005 9.173 15.513
{ca asp b1 52}22.188 8.998 17.594
{ca ala b1 53}20.246 8.104 20.728
{ca val b1 54}18.39 5.334 18.898
{ca met b1 55}21.451 3.846 17.222
{ca gly b1 56}23.45 3.868 20.457
{ca asn b1 57}20.633 2.58 22.681
{ca pro b1 58}21.724 -0.755 24.202
{ca lys b1 59}18.165 -2.088 24.473
{ca val b1 60}17.611 -1.43 20.804
{ca lys b1 61}20.822 -3.296 20.028
{ca ala b1 62}19.846 -6.189 22.28
{ca his b1 63}16.42 -6.537 20.769
{ca gly b1 64}17.792 -6.197 17.252
{ca lys b1 65}20.056 -9.108 17.979
{ca lys b1 66}17.179 -11.218 19.279
{ca val b1 67}15.05 -10.501 16.216
{ca leu b1 68}17.771 -11.168 13.639
{ca gly b1 69}18.808 -14.341 15.477
{ca ala b1 70}15.315 -15.741 15.029
{ca phe b1 71}15.426 -14.537 11.449
{ca ser b1 72}18.742 -16.383 11.
{ca asp b1 73}17.298 -19.592 12.295
{ca gly b1 74}14.464 -19.237 9.749
{ca leu b1 75}16.974 -19.165 6.88
{ca ala b1 76}17.66 -22.767 7.764
{ca his b1 77}13.997 -23.657 7.129
{ca leu b1 78}13.179 -21.701 3.988
{ca asp b1 79}11.017 -24.677 2.915
{ca asn b1 80}8.612 -24.146 5.785
{ca leu b1 81}8.696 -20.656 7.215
{ca lys b1 82}5.112 -20.888 8.417
{ca gly b1 83}5.767 -23.9 10.588
{ca thr b1 84}8.988 -22.343 11.882
{ca phe b1 85}7.358 -19.062 12.871
{ca ala b1 86}3.887 -20.227 13.98
{ca thr b1 87}4.526 -19.742 17.702
{ca leu b1 88}6.147 -16.349 17.23
{ca ser b1 89}3.255 -15.36 14.952
{ca glu b1 90}0.78 -16.132 17.703
{ca leu b1 91}2.868 -14.291 20.248
{ca his b1 92}3.123 -11.14 18.161
{ca cys b1 93}-0.628 -11.135 17.629
{ca asp b1 94}-2.099 -12.21 20.976
{ca lys b1 95}0.415 -10.791 23.382
{ca leu b1 96}2.46 -8.096 21.668
{ca his b1 97}-0.255 -6.603 19.362
{ca val b1 98}2.21 -5.778 16.599
{ca asp b1 99}0.605 -4.722 13.296
{ca pro b1 100}2.201 -7.128 10.763
{ca glu b1 101}2.885 -4.153 8.465
{ca asn b1 102}5.881 -3.603 10.772
{ca phe b1 103}7.388 -6.887 9.547
{ca arg b1 104}7.32 -5.599 5.985
{ca leu b1 105}8.95 -2.319 6.97
{ca leu b1 106}11.7 -4.18 8.802
{ca gly b1 107}12.24 -6.455 5.8
{ca asn b1 108}12.838 -3.471 3.551
{ca val b1 109}15.135 -1.759 6.032
{ca leu b1 110}17.088 -5.01 6.358
{ca val b1 111}17.578 -5.052 2.593
{ca cys b1 112}18.883 -1.471 2.731
{ca val b1 113}21.265 -2.448 5.512
{ca leu b1 114}22.604 -5.423 3.582
{ca ala b1 115}23.11 -3.176 0.564
{ca his b1 116}24.936 -0.605 2.659
{ca his b1 117}27.067 -3.267 4.218
{ca phe b1 118}28.017 -5.313 1.208
{ca gly b1 119}28.072 -2.628 -1.48
{ca lys b1 120}28.503 -3.953 -5.017
{ca glu b1 121}28.352 -7.563 -3.788
{ca phe b1 122}24.676 -7.016 -3.149
{ca thr b1 123}23.779 -7.32 -6.816
{ca pro b1 124}20.257 -6.944 -8.289
{ca pro b1 125}19.771 -10.821 -8.443
{ca val b1 126}20.9 -11.164 -4.824
{ca gln b1 127}18.541 -8.39 -3.768
{ca ala b1 128}15.708 -10.131 -5.621
{ca ala b1 129}16.371 -13.327 -3.687
{ca tyr b1 130}16.446 -11.496 -0.374
{ca gln b1 131}13.216 -9.693 -1.202
{ca lys b1 132}11.493 -13.02 -1.595
{ca val b1 133}12.895 -14.188 1.718
{ca val b1 134}11.872 -11.127 3.711
{ca ala b1 135}8.393 -11.187 2.178
{ca gly b1 136}8.189 -14.868 3.08
{ca val b1 137}9.214 -14.229 6.672
{ca ala b1 138}6.762 -11.321 7.037
{ca asn b1 139}4.094 -13.605 5.676
{ca ala b1 140}4.951 -16.393 8.008
{ca leu b1 141}4.875 -14.066 10.991
{ca ala b1 142}1.476 -12.686 9.994
{ca his b1 143}-0.085 -16.044 9.3
{ca lys b1 144}-1.667 -16.718 12.668
{ca tyr b1 145}-3.231 -13.27 13.18
{ca his b1 146}-6.973 -13.067 13.956
@vectorlist {heme b1} color=sky master= {hemes}
{fe hem b 1}P 9.401 -9.297 17.375 {n a hem b 1}10.318 -10.836 18.457
{c1a hem b 1}10.356 -10.944 19.837
{n a hem b 1}P 10.318 -10.836 18.457 {c4a hem b 1}11.024 -11.902 17.979
{c3a hem b 1}11.508 -12.718 19.074
{c4d hem b 1}P 9.25 -8.773 20.422{cha hem b 1}9.791 -10.028 20.746 {c1a hem b 1}10.356
-10.944 19.837 {c2a hem b 1}11.111
-12.117 20.243 {c3a hem b 1}11.508
-12.718 19.074 {cma hem b 1}12.428
-13.915 18.932 {chb hem b 1}P 11.216 -12.152 16.612 {c4a hem b 1}11.024
-11.902 17.979 {c2a hem b 1}P 11.111 -12.117 20.243 {caa hem b 1}11.24
-12.645 21.667 {cba hem b 1}10.026
-13.494 22.084 {cga hem b 1}10.017
-14.08 23.474 {o1a hem b 1}10.445
-13.418 24.415 {cga hem b 1}P 10.017 -14.08 23.474 {o2a hem b 1}9.565
-15.19 23.71 {fe hem b 1}P 9.401 -9.297 17.375 {n b hem b 1}10.311
-10.036 15.722 {c1b hem b 1}10.906
-11.264 15.571 {n b hem b 1}P 10.311 -10.036 15.722 {c4b hem b 1}10.28
-9.514 14.454 {c3b hem b 1}10.762
-10.462 13.473 {chb hem b 1}P 11.216 -12.152 16.612 {c1b hem b 1}10.906
-11.264 15.571 {c2b hem b 1}11.149
-11.55 14.182 {c3b hem b 1}10.762
-10.462 13.473 {cab hem b 1}10.901
-10.179 12.009 {cbb hem b 1}12.085
-10.332 11.331 {chc hem b 1}P 9.815 -8.25 14.128 {c4b hem b 1}10.28
-9.514 14.454 {c2b hem b 1}P 11.149 -11.55 14.182 {cmb hem b 1}11.881
-12.779 13.699 {fe hem b 1}P 9.401 -9.297 17.375 {n c hem b 1}9.151
-7.526 16.386 {c1c hem b 1}9.316
-7.311 15.029 {n c hem b 1}P 9.151 -7.526 16.386 {c4c hem b 1}8.615
-6.35 16.87 {c3c hem b 1}8.492
-5.364 15.818 {chc hem b 1}P 9.815 -8.25 14.128 {c1c hem b 1}9.316
-7.311 15.029 {c2c hem b 1}8.933
-5.959 14.665 {c3c hem b 1}8.492
-5.364 15.818 {cac hem b 1}7.89
-4.013 16.021 {cbc hem b 1}8.404
-2.869 15.433 {chd hem b 1}P 8.262 -6.123 18.207 {c4c hem b 1}8.615
-6.35 16.87 {c2c hem b 1}P 8.933 -5.959 14.665 {cmc hem b 1}9.109
-5.303 13.306 {fe hem b 1}P 9.401 -9.297 17.375 {n d hem b 1}9.137
-8.253 19.134 {c1d hem b 1}8.55
-7.009 19.261 {n d hem b 1}P 9.137 -8.253 19.134 {c4d hem b 1}9.25
-8.773 20.422 {c3d hem b 1}8.744
-7.806 21.384 {chd hem b 1}P 8.262 -6.123 18.207 {c1d hem b 1}8.55
-7.009 19.261 {c2d hem b 1}8.321
-6.726 20.655 {c3d hem b 1}8.744
-7.806 21.384 {cad hem b 1}8.814
-7.878 22.893 {cbd hem b 1}10.179
-7.502 23.454 {cgd hem b 1}10.159
-7.564 24.906 {o1d hem b 1}10.81
-6.736 25.501 {cgd hem b 1}P 10.159 -7.564 24.906 {o2d hem b 1}9.521
-8.215 25.671 {c2d hem b 1}P 8.321 -6.726 20.655 {cmd hem b 1}7.733
@vectorlist {po4} color= yellowtint master= {PO4}
{p po4 b1}P 6.039 -21.341 3.325 {p po4 1}6.039 -21.341 3.325
{p po4 b1}P U 5.039 -21.341 3.325 U 7.039 -21.341 3.325
P U 6.039 -22.341 3.325 U 6.039 -20.341 3.325
P U 6.039 -21.341 2.325 U 6.039 -21.341 4.325
@subgroup dominant {alpha2} 
@vectorlist {ca-ca} color= bluetint master= {ca-ca}
{ca val a2 1}P -7.06 17.792 -4.76 {ca leu a2 2}-10.785 18.159 -4.237
{ca ser a2 3}-12.492 19.934 -7.127
{ca pro a2 4}-15.511 22.192 -6.331
{ca ala a2 5}-17.676 19.403 -7.724
{ca asp a2 6}-16.059 16.945 -5.311
{ca lys a2 7}-16.809 19.277 -2.425
{ca thr a2 8}-20.41 19.643 -3.508
{ca asn a2 9}-20.715 15.845 -3.737
{ca val a2 10}-19.208 15.283 -0.296
{ca lys a2 11}-21.393 17.926 1.357
{ca ala a2 12}-24.474 16.497 -0.269
{ca ala a2 13}-23.747 12.921 0.738
{ca trp a2 14}-22.645 13.719 4.242
{ca gly a2 15}-25.65 15.995 4.59
{ca lys a2 16}-27.926 12.981 4.
{ca val a2 17}-25.899 11.07 6.587
{ca gly a2 18}-26.822 13.8 9.05
{ca ala a2 19}-27.749 12.396 12.429
{ca his a2 20}-26.775 8.793 11.715
{ca ala a2 21}-23.135 9.749 11.417
{ca gly a2 22}-22.226 8.131 14.747
{ca glu a2 23}-24.091 4.921 13.981
{ca tyr a2 24}-22.375 4.686 10.602
{ca gly a2 25}-19.009 5.348 12.224
{ca ala a2 26}-19.466 2.37 14.535
{ca glu a2 27}-20.608 0.151 11.695
{ca ala a2 28}-17.549 1.057 9.635
{ca leu a2 29}-15.308 0.145 12.566
{ca glu a2 30}-17.005 -3.199 13.017
{ca arg a2 31}-16.68 -3.889 9.304
{ca met a2 32}-12.978 -3.07 9.533
{ca phe a2 33}-12.322 -5.344 12.527
{ca leu a2 34}-14.025 -8.281 10.823
{ca ser a2 35}-12.66 -7.82 7.301
{ca phe a2 36}-9.137 -6.759 8.291
{ca pro a2 37}-8.342 -8.369 11.658
{ca thr a2 38}-4.849 -6.856 11.722
{ca thr a2 39}-6.476 -3.521 12.607
{ca lys a2 40}-7.553 -4.934 15.967
{ca thr a2 41}-3.927 -4.747 17.127
{ca tyr a2 42}-4.518 -1.055 17.836
{ca phe a2 43}-7.479 -1.702 20.098
{ca pro a2 44}-6.334 -4.397 22.635
{ca his a2 45}-7.962 -2.357 25.415
{ca phe a2 46}-11.432 -2.435 23.847
{ca asp a2 47}-14.29 -4.839 24.019
{ca leu a2 48}-14.678 -5.353 20.284
{ca ser a2 49}-17.773 -7.517 20.525
{ca his a2 50}-20.777 -6.497 18.516
{ca gly a2 51}-22.63 -3.57 19.979
{ca ser a2 52}-19.977 -2.649 22.471
{ca ala a2 53}-20.311 0.826 23.967
{ca gln a2 54}-16.593 1.4 23.402
{ca val a2 55}-16.91 0.869 19.673
{ca lys a2 56}-20.094 2.915 19.437
{ca gly a2 57}-18.423 5.705 21.382
{ca his a2 58}-15.363 5.641 19.208
{ca gly a2 59}-17.493 5.51 16.061
{ca lys a2 60}-19.172 8.703 17.119
{ca lys a2 61}-15.838 10.427 17.638
{ca val a2 62}-14.611 9.36 14.22
{ca ala a2 63}-17.821 10.532 12.625
{ca asp a2 64}-17.728 13.918 14.356
{ca ala a2 65}-14.184 14.472 13.123
{ca leu a2 66}-15.3 13.708 9.573
{ca thr a2 67}-18.227 16.077 10.02
{ca asn a2 68}-15.703 18.709 11.11
{ca ala a2 69}-13.613 17.966 8.031
{ca val a2 70}-16.577 18.335 5.662
{ca ala a2 71}-17.455 21.68 7.26
{ca his a2 72}-13.887 22.876 6.723
{ca val a2 73}-13.047 21.103 3.544
{ca asp a2 74}-11.131 24.179 2.275
{ca asp a2 75}-8.993 24.209 5.411
{ca met a2 76}-8.636 20.6 6.568
{ca pro a2 77}-4.938 20.764 7.783
{ca asn a2 78}-5.955 23.366 10.347
{ca ala a2 79}-9.243 21.84 11.303
{ca leu a2 80}-7.705 18.422 11.994
{ca ser a2 81}-4.416 19.724 13.447
{ca ala a2 82}-4.959 18.276 16.925
{ca leu a2 83}-5.964 14.919 15.461
{ca ser a2 84}-2.869 14.72 13.246
{ca asp a2 85}-0.713 15.445 16.288
{ca leu a2 86}-2.515 12.731 18.208
{ca his a2 87}-2.094 10.06 15.577
{ca ala a2 88}1.478 11.037 14.766
{ca his a2 89}2.929 11.277 18.255
{ca lys a2 90}0.735 9.142 20.422
{ca leu a2 91}-1.384 6.528 18.674
{ca arg a2 92}1.119 5.987 15.826
{ca val a2 93}-1.148 3.881 13.67
{ca asp a2 94}0.654 2.617 10.574
{ca pro a2 95}-0.556 4.665 7.552
{ca val a2 96}-1.726 1.549 5.661
{ca asn a2 97}-4.639 1.154 8.075
{ca phe a2 98}-6.198 4.46 7.011
{ca lys a2 99}-6.97 2.914 3.654
{ca leu a2 100}-8.699 0.027 5.281
{ca leu a2 101}-10.965 2.199 7.388
{ca ser a2 102}-11.65 4.449 4.389
{ca his a2 103}-12.814 1.47 2.37
{ca cys a2 104}-15.097 0.286 5.174
{ca leu a2 105}-16.567 3.758 5.55
{ca leu a2 106}-17.285 3.775 1.814
{ca val a2 107}-18.979 0.366 2.091
{ca thr a2 108}-21.061 1.595 5.018
{ca leu a2 109}-22.19 4.656 3.075
{ca ala a2 110}-23.011 2.496 0.044
{ca ala a2 111}-25.155 0.207 2.171
{ca his a2 112}-27.15 3.085 3.625
{ca leu a2 113}-27.409 5.616 0.83
{ca pro a2 114}-28.861 3.639 -2.11
{ca ala a2 115}-29.932 6.735 -4.025
{ca glu a2 116}-26.954 9.054 -3.194
{ca phe a2 117}-24.068 6.712 -3.876
{ca thr a2 118}-23.71 7.392 -7.595
{ca pro a2 119}-20.419 6.648 -9.455
{ca ala a2 120}-19.477 10.327 -9.297
{ca val a2 121}-20.262 10.609 -5.592
{ca his a2 122}-18.365 7.388 -4.908
{ca ala a2 123}-15.346 8.891 -6.637
{ca ser a2 124}-15.621 12.141 -4.687
{ca leu a2 125}-16.003 10.345 -1.363
{ca asp a2 126}-12.985 8.125 -1.989
{ca lys a2 127}-10.972 11.202 -2.834
{ca phe a2 128}-12.173 12.96 0.255
{ca leu a2 129}-11.281 10.065 2.562
{ca ala a2 130}-7.844 9.886 0.977
{ca ser a2 131}-7.347 13.584 1.7
{ca val a2 132}-8.414 13.161 5.311
{ca ser a2 133}-6.011 10.219 5.591
{ca thr a2 134}-3.197 12.314 4.12
{ca val a2 135}-3.793 15.101 6.623
{ca leu a2 136}-3.962 12.711 9.576
{ca thr a2 137}-0.611 11.148 8.601
{ca ser a2 138}1.049 14.479 7.722
{ca lys a2 139}3.183 14.822 10.789
{ca tyr a2 140}4.347 11.247 11.236
{ca arg a2 141}7.922 12.248 10.253
@balllist {mcn a2} color= blue radius= .2 master= {details} off
{n val a 1} -6.452 16.459 -4.843
@vectorlist {mc} color= bluetint  master= {details} off
{n val a 1}P -6.452 16.459 -4.843
{ca val a 1}-7.06 17.792 -4.76
@vectorlist {heme a2} color= sky master= {hemes}
{fe hem a 2}P -8.128 7.371 15.022 {n a hem a 2}-9.297 8.665 16.114
{c1a hem a 2}-9.277 8.77 17.486
{n a hem a 2}P -9.297 8.665 16.114 {c4a hem a 2}-10.077 9.723 15.665
{c3a hem a 2}-10.565 10.493 16.781
{c4d hem a 2}P -7.975 6.684 17.991 {cha hem a 2}-8.617 7.879 18.361
{c1a hem a 2}-9.277 8.77 17.486
{c2a hem a 2}-10.083 9.898 17.902
{c3a hem a 2}-10.565 10.493 16.781
{cma hem a 2}-11.526 11.66 16.723
{chb hem a 2}P -10.356 10.005 14.319 {c4a hem a 2}-10.077 9.723 15.665
{c2a hem a 2}P -10.083 9.898 17.902 {caa hem a 2}-10.393 10.337 19.313
{cba hem a 2}-9.365 11.341 19.815
{cga hem a 2}-9.671 11.842 21.211
{o1a hem a 2}-9.887 11.056 22.136
{cga hem a 2}P -9.671 11.842 21.211 {o2a hem a 2}-9.625 13.056 21.408
{fe hem a 2}P -8.128 7.371 15.022 {n b hem a 2}-9.168 8.079 13.32
{c1b hem a 2}-9.946 9.212 13.233
{n b hem a 2}P -9.168 8.079 13.32 {c4b hem a 2}-9.022 7.603 12.041
{c3b hem a 2}-9.728 8.454 11.115
{chb hem a 2}P -10.356 10.005 14.319 {c1b hem a 2}-9.946 9.212 13.233
{c2b hem a 2}-10.302 9.447 11.862
{c3b hem a 2}-9.728 8.454 11.115
{cab hem a 2}-9.59 8.396 9.638
{cbb hem a 2}-10.691 8.596 8.83
{chc hem a 2}P -8.307 6.456 11.669 {c4b hem a 2}-9.022 7.603 12.041
{c2b hem a 2}P -10.302 9.447 11.862 {cmb hem a 2}-11.063 10.66 11.372
{fe hem a 2}P -8.128 7.371 15.022 {n c hem a 2}-7.633 5.649 13.939
{c1c hem a 2}-7.771 5.509 12.561
{n c hem a 2}P -7.633 5.649 13.939 {c4c hem a 2}-7.159 4.444 14.39
{c3c hem a 2}-6.89 3.555 13.29
{chc hem a 2}P -8.307 6.456 11.669 {c1c hem a 2}-7.771 5.509 12.561
{c2c hem a 2}-7.28 4.206 12.15
{c3c hem a 2}-6.89 3.555 13.29
{cac hem a 2}-6.411 2.147 13.471
{cbc hem a 2}-6.761 1.083 12.643
{chd hem a 2}P -6.928 4.145 15.725 {c4c hem a 2}-7.159 4.444 14.39
{c2c hem a 2}P -7.28 4.206 12.15 {cmc hem a 2}-7.147 3.727 10.723
{fe hem a 2}P -8.128 7.371 15.022 {n d hem a 2}-7.783 6.249 16.697
{c1d hem a 2}-7.257 4.983 16.797
{n d hem a 2}P -7.783 6.249 16.697 {c4d hem a 2}-7.975 6.684 17.991
{c3d hem a 2}-7.514 5.673 18.927
{chd hem a 2}P -6.928 4.145 15.725 {c1d hem a 2}-7.257 4.983 16.797
{c2d hem a 2}-7.067 4.635 18.184
{c3d hem a 2}-7.514 5.673 18.927
{cad hem a 2}-7.618 5.696 20.432
{cbd hem a 2}-8.947 5.143 20.947
{cgd hem a 2}-9.047 5.155 22.461
{o1d hem a 2}-10.139 5.458 22.959
{cgd hem a 2}P -9.047 5.155 22.461 {o2d hem a 2}-8.096 4.833 23.177
{c2d hem a 2}P -7.067 4.635 18.184 {cmd hem a 2}-6.332 3.425 18.716
@balllist {scn a2} color= blue radius= .2 master= {details} off
{nz lys a 127} -10.518 14.958 -7.602
@balllist {sco} color= red radius= .2 master= {details} off
{od1 asp a 126} -11.601 5.574 -1.869
{od2 asp a 126} -10.796 6.085 -3.817
@vectorlist {sc} color= green  master= {details} off
{ca asp a 126}P -12.985 8.125 -1.989 {cb asp a 126}-12.821 7.156 -3.167
{cg asp a 126}-11.649 6.202 -2.932
{od1 asp a 126}-11.601 5.574 -1.869
{cg asp a 126}P -11.649 6.202 -2.932 {od2 asp a 126}-10.796 6.085 -3.817
{ca lys a 127}P -10.972 11.202 -2.834 {cb lys a 127}-11.393 12.164 -3.933
{cg lys a 127}-10.409 12.119 -5.094
{cd lys a 127}-10.908 12.952 -6.265
{ce lys a 127}-10.113 14.245 -6.384
{nz lys a 127}-10.518 14.958 -7.602
@subgroup dominant {beta2} 
@vectorlist {ca-ca} color=cyan master= {ca-ca}
{ca val b2 1}P -8.824 -20.084 0.109 {ca his b2 2}-10.108 -21.007 3.495
{ca leu b2 3}-13.682 -20.145 4.31
{ca thr b2 4}-15.613 -21.547 7.228
{ca pro b2 5}-18.796 -23.341 6.018
{ca glu b2 6}-20.82 -20.435 7.34
{ca glu b2 7}-18.733 -18.011 5.295
{ca lys b2 8}-19.064 -20.224 2.247
{ca ser b2 9}-22.809 -20.449 2.556
{ca ala b2 10}-23.001 -16.672 3.076
{ca val b2 11}-21.113 -16.026 -0.163
{ca thr b2 12}-23.105 -18.604 -2.109
{ca ala b2 13}-26.507 -17.393 -0.911
{ca leu b2 14}-25.927 -13.742 -1.781
{ca trp b2 15}-24.451 -14.599 -5.149
{ca gly b2 16}-27.575 -16.521 -6.176
{ca lys b2 17}-29.326 -13.149 -6.186
{ca val b2 18}-26.788 -11.342 -8.339
{ca asn b2 19}-27.551 -10.365 -11.936
{ca val b2 20}-24.039 -11.026 -13.171
{ca asp b2 21}-24.414 -8.911 -16.321
{ca glu b2 22}-25.702 -5.864 -14.432
{ca val b2 23}-23.299 -6.042 -11.49
{ca gly b2 24}-20.426 -6.705 -13.881
{ca gly b2 25}-21.122 -3.586 -15.931
{ca glu b2 26}-21.483 -1.564 -12.802
{ca ala b2 27}-18.307 -2.753 -11.131
{ca leu b2 28}-16.13 -2.273 -14.194
{ca gly b2 29}-17.665 1.129 -14.885
{ca arg b2 30}-17.096 2.329 -11.356
{ca leu b2 31}-13.522 1.025 -11.48
{ca leu b2 32}-12.932 3.224 -14.511
{ca val b2 33}-14.593 6.225 -12.852
{ca val b2 34}-13.164 6.097 -9.345
{ca tyr b2 35}-9.663 5.049 -10.45
{ca pro b2 36}-9.364 6.633 -13.921
{ca trp b2 37}-5.822 5.428 -14.548
{ca thr b2 38}-7.332 1.96 -15.089
{ca gln b2 39}-8.758 3.377 -18.351
{ca arg b2 40}-5.276 2.785 -19.732
{ca phe b2 41}-6.278 -0.702 -20.975
{ca phe b2 42}-9.455 0.334 -22.689
{ca glu b2 43}-8.932 3.134 -25.167
{ca ser b2 44}-10.265 0.862 -27.873
{ca phe b2 45}-13.598 1.224 -26.037
{ca gly b2 46}-14.735 4.665 -27.135
{ca asp b2 47}-15.912 7.548 -24.984
{ca leu b2 48}-14.763 7.317 -21.354
{ca ser b2 49}-14.607 11.072 -20.714
{ca thr b2 50}-17.41 11.475 -18.145
{ca pro b2 51}-19.005 9.173 -15.513
{ca asp b2 52}-22.188 8.998 -17.594
{ca ala b2 53}-20.246 8.104 -20.728
{ca val b2 54}-18.39 5.334 -18.898
{ca met b2 55}-21.451 3.846 -17.222
{ca gly b2 56}-23.45 3.868 -20.457
{ca asn b2 57}-20.633 2.58 -22.681
{ca pro b2 58}-21.724 -0.755 -24.202
{ca lys b2 59}-18.165 -2.088 -24.473
{ca val b2 60}-17.611 -1.43 -20.804
{ca lys b2 61}-20.822 -3.296 -20.028
{ca ala b2 62}-19.846 -6.189 -22.28
{ca his b2 63}-16.42 -6.537 -20.769
{ca gly b2 64}-17.792 -6.197 -17.252
{ca lys b2 65}-20.056 -9.108 -17.979
{ca lys b2 66}-17.179 -11.218 -19.279
{ca val b2 67}-15.05 -10.501 -16.216
{ca leu b2 68}-17.771 -11.168 -13.639
{ca gly b2 69}-18.808 -14.341 -15.477
{ca ala b2 70}-15.315 -15.741 -15.029
{ca phe b2 71}-15.426 -14.537 -11.449
{ca ser b2 72}-18.742 -16.383 -11.
{ca asp b2 73}-17.298 -19.592 -12.295
{ca gly b2 74}-14.464 -19.237 -9.749
{ca leu b2 75}-16.974 -19.165 -6.88
{ca ala b2 76}-17.66 -22.767 -7.764
{ca his b2 77}-13.997 -23.657 -7.129
{ca leu b2 78}-13.179 -21.701 -3.988
{ca asp b2 79}-11.017 -24.677 -2.915
{ca asn b2 80}-8.612 -24.146 -5.785
{ca leu b2 81}-8.696 -20.656 -7.215
{ca lys b2 82}-5.112 -20.888 -8.417
{ca gly b2 83}-5.767 -23.9 -10.588
{ca thr b2 84}-8.988 -22.343 -11.882
{ca phe b2 85}-7.358 -19.062 -12.871
{ca ala b2 86}-3.887 -20.227 -13.98
{ca thr b2 87}-4.526 -19.742 -17.702
{ca leu b2 88}-6.147 -16.349 -17.23
{ca ser b2 89}-3.255 -15.36 -14.952
{ca glu b2 90}-0.78 -16.132 -17.703
{ca leu b2 91}-2.868 -14.291 -20.248
{ca his b2 92}-3.123 -11.14 -18.161
{ca cys b2 93}0.628 -11.135 -17.629
{ca asp b2 94}2.099 -12.21 -20.976
{ca lys b2 95}-0.415 -10.791 -23.382
{ca leu b2 96}-2.46 -8.096 -21.668
{ca his b2 97}0.255 -6.603 -19.362
{ca val b2 98}-2.21 -5.778 -16.599
{ca asp b2 99}-0.605 -4.722 -13.296
{ca pro b2 100}-2.201 -7.128 -10.763
{ca glu b2 101}-2.885 -4.153 -8.465
{ca asn b2 102}-5.881 -3.603 -10.772
{ca phe b2 103}-7.388 -6.887 -9.547
{ca arg b2 104}-7.32 -5.599 -5.985
{ca leu b2 105}-8.95 -2.319 -6.97
{ca leu b2 106}-11.7 -4.18 -8.802
{ca gly b2 107}-12.24 -6.455 -5.8
{ca asn b2 108}-12.838 -3.471 -3.551
{ca val b2 109}-15.135 -1.759 -6.032
{ca leu b2 110}-17.088 -5.01 -6.358
{ca val b2 111}-17.578 -5.052 -2.593
{ca cys b2 112}-18.883 -1.471 -2.731
{ca val b2 113}-21.265 -2.448 -5.512
{ca leu b2 114}-22.604 -5.423 -3.582
{ca ala b2 115}-23.11 -3.176 -0.564
{ca his b2 116}-24.936 -0.605 -2.659
{ca his b2 117}-27.067 -3.267 -4.218
{ca phe b2 118}-28.017 -5.313 -1.208
{ca gly b2 119}-28.072 -2.628 1.48
{ca lys b2 120}-28.503 -3.953 5.017
{ca glu b2 121}-28.352 -7.563 3.788
{ca phe b2 122}-24.676 -7.016 3.149
{ca thr b2 123}-23.779 -7.32 6.816
{ca pro b2 124}-20.257 -6.944 8.289
{ca pro b2 125}-19.771 -10.821 8.443
{ca val b2 126}-20.9 -11.164 4.824
{ca gln b2 127}-18.541 -8.39 3.768
{ca ala b2 128}-15.708 -10.131 5.621
{ca ala b2 129}-16.371 -13.327 3.687
{ca tyr b2 130}-16.446 -11.496 0.374
{ca gln b2 131}-13.216 -9.693 1.202
{ca lys b2 132}-11.493 -13.02 1.595
{ca val b2 133}-12.895 -14.188 -1.718
{ca val b2 134}-11.872 -11.127 -3.711
{ca ala b2 135}-8.393 -11.187 -2.178
{ca gly b2 136}-8.189 -14.868 -3.08
{ca val b2 137}-9.214 -14.229 -6.672
{ca ala b2 138}-6.762 -11.321 -7.037
{ca asn b2 139}-4.094 -13.605 -5.676
{ca ala b2 140}-4.951 -16.393 -8.008
{ca leu b2 141}-4.875 -14.066 -10.991
{ca ala b2 142}-1.476 -12.686 -9.994
{ca his b2 143}0.085 -16.044 -9.3
{ca lys b2 144}1.667 -16.718 -12.668
{ca tyr b2 145}3.231 -13.27 -13.18
{ca his b2 146}6.973 -13.067 -13.956
@labellist {b2} color= green master= {details} off
{ C} <b2> -5.276 2.785 -19.732
{ FG} .255 -6.603 -19.362
@vectorlist {heme b2} color=sky master= {hemes}
{fe hem b 2}P -9.401 -9.297 -17.375 {n a hem b 2} -10.318 -10.836 -18.457
{c1a hem b 2}-10.356 -10.944 -19.837
{n a hem b 2} P -10.318 -10.836 -18.457 {c4a hem b 2} -11.024 -11.902 -17.979
{c3a hem b 2}-11.508 -12.718 -19.074
{c4d hem b 2}P -9.25 -8.773 -20.422 {cha hem b 2} -9.791 -10.028 -20.746
{c1a hem b 2} -10.356 -10.944 -19.837
{c2a hem b 2} -11.111 -12.117 -20.243
{c3a hem b 2} -11.508 -12.718 -19.074
{cma hem b 2} -12.428 -13.915 -18.932
{chb hem b 2} P -11.216 -12.152 -16.612 {c4a hem b 2} -11.024 -11.902 -17.979
{c2a hem b 2} P -11.111 -12.117 -20.243 {caa hem b 2} -11.24 -12.645 -21.667
{cba hem b 2} -10.026 -13.494 -22.084
{cga hem b 2}-10.017 -14.08 -23.474
{o1a hem b 2}-10.445 -13.418 -24.415
{cga hem b 2} P -10.017 -14.08 -23.474 {o2a hem b 2} -9.565 -15.19 -23.71
{fe hem b 2} P -9.401 -9.297 -17.375 {n b hem b 2} -10.311 -10.036 -15.722
{c1b hem b 2}-10.906 -11.264 -15.571
{n b hem b 2} P -10.311 -10.036 -15.722 {c4b hem b 2} -10.28 -9.514 -14.454
{c3b hem b 2}-10.762 -10.462 -13.473
{chb hem b 2} P -11.216 -12.152 -16.612 {c1b hem b 2} -10.906 -11.264 -15.571
{c2b hem b 2}-11.149 -11.55 -14.182
{c3b hem b 2}-10.762 -10.462 -13.473
{cab hem b 2}-10.901 -10.179 -12.009
{cbb hem b 2}-12.085 -10.332 -11.331
{chc hem b 2}P -9.815 -8.25 -14.128 {c4b hem b 2}-10.28 -9.514 -14.454
{c2b hem b 2}P -11.149 -11.55 -14.182 {cmb hem b 2}-11.881 -12.779 -13.699
{fe hem b 2}P -9.401 -9.297 -17.375 {n c hem b 2}-9.151 -7.526 -16.386
{c1c hem b 2}-9.316 -7.311 -15.029
{n c hem b 2}P -9.151 -7.526 -16.386 {c4c hem b 2}-8.615 -6.35 -16.87
{c3c hem b 2}-8.492 -5.364 -15.818
{chc hem b 2}P -9.815 -8.25 -14.128 {c1c hem b 2}-9.316 -7.311 -15.029
{c2c hem b 2}-8.933 -5.959 -14.665
{c3c hem b 2}-8.492 -5.364 -15.818
{cac hem b 2}-7.89 -4.013 -16.021
{cbc hem b 2}-8.404 -2.869 -15.433
{chd hem b 2}P -8.262 -6.123 -18.207 {c4c hem b 2}-8.615 -6.35 -16.87
{c2c hem b 2}P -8.933 -5.959 -14.665 {cmc hem b 2}-9.109 -5.303 -13.306
{fe hem b 2}P -9.401 -9.297 -17.375 {n d hem b 2}-9.137 -8.253 -19.134
{c1d hem b 2}-8.55 -7.009 -19.261
{n d hem b 2}P -9.137 -8.253 -19.134 {c4d hem b 2}-9.25 -8.773 -20.422
{c3d hem b 2}-8.744 -7.806 -21.384
{chd hem b 2}P -8.262 -6.123 -18.207 {c1d hem b 2}-8.55 -7.009 -19.261
{c2d hem b 2}-8.321 -6.726 -20.655
{c3d hem b 2}-8.744 -7.806 -21.384
{cad hem b 2}-8.814 -7.878 -22.893
{cbd hem b 2}-10.179 -7.502 -23.454
{cgd hem b 2}-10.159 -7.564 -24.906
{o1d hem b 2}-10.81 -6.736 -25.501
{cgd hem b 2}P -10.159 -7.564 -24.906 {o2d hem b 2}-9.521 -8.215 -25.671
{c2d hem b 2}P -8.321 -6.726 -20.655 {cmd hem b 2}-7.733 -5.44 -21.194
@vectorlist {po4} color=yellowtint master= {PO4}
{p po4 b2}P -6.039 -21.341 -3.325 {p po4 1}-6.039 -21.341 -3.325
{p po4 b2}P U -7.039 -21.341 -3.325 U -5.039 -21.341 -3.325
P U -6.039 -22.341 -3.325 U -6.039 -20.341 -3.325
P U -6.039 -21.341 -4.325 U -6.039 -21.341 -2.325
@balllist {mco} color= red radius= .2 master= {details} off
{o his b 146} 6.408 -11.378 -15.522
{oxt his b 146} 8.512 -11.497 -15.006
@vectorlist {mc b2} color= cyan master= {details} off
{ca his b 146}P 6.973 -13.067 -13.956
{c his b 146}7.348 -11.911 -14.904
{o his b 146}6.408 -11.378 -15.522
{c his b 146}P 7.348 -11.911 -14.904 {oxt his b 146}8.512 -11.497 -15.006
@balllist {scn} color= blue radius= .2 master= {details} off
{nd1 his b 146} 7.673 -15.464 -16.897
{ne2 his b 146} 5.895 -14.661 -18.048
@balllist {sco} color= red radius= .2 master= {details} off
{od1 asp b 94} 3.785 -13.867 -19.688
{od2 asp b 94} 3.012 -15.71 -20.545
@vectorlist {B2 sc} color= green  master= {details} off
{ca asp b 94}P 2.099 -12.21 -20.976 {cb asp b 94}2.194 -13.666 -21.433
{cg asp b 94}3.062 -14.478 -20.479
{od1 asp b 94}3.785 -13.867 -19.688
{cg asp b 94}P 3.062 -14.478 -20.479 {od2 asp b 94}3.012 -15.71 -20.545
{ca his b 146}P 6.973 -13.067 -13.956 {cb his b 146}7.329 -14.437 -14.548
{cg his b 146}6.921 -14.663 -16.024
{nd1 his b 146}7.673 -15.464 -16.897
{ce1 his b 146}7.036 -15.46 -18.152
{ne2 his b 146}5.895 -14.661 -18.048
{cg his b 146}P 6.921 -14.663 -16.024 {cd2 his b 146}5.829 -14.177 -16.733
{ne2 his b 146}5.895 -14.661 -18.048

@group {oxy} animate
@subgroup dominant {alpha1} 
@vectorlist {ca-ca} color=pinktint master= {ca-ca}
{ca val a1 1}P 5.66 17.22 7.28 {ca leu a1 2}9. 17.66 5.6
{ca ser a1 3}10.76 19.58 8.34
{ca pro a1 4}13.47 22.26 8.79
{ca ala a1 5}15.93 19.46 9.24
{ca asp a1 6}14.86 16.73 6.81
{ca lys a1 7}15.21 19.5 4.19
{ca thr a1 8}18.82 19.64 5.35
{ca asn a1 9}19.72 15.97 5.27
{ca val a1 10}18.57 15.87 1.65
{ca lys a1 11}20.07 19.18 0.54
{ca ala a1 12}23.2 17.46 1.89
{ca ala a1 13}23.02 13.82 0.97
{ca trp a1 14}22.32 14.88 -2.59
{ca gly a1 15}25.13 17.57 -2.02
{ca lys a1 16}27.67 14.77 -2.09
{ca val a1 17}26.07 12.48 -4.66
{ca gly a1 18}26.58 15.17 -7.27
{ca ala a1 19}28.68 14.55 -10.5
{ca his a1 20}27.03 11.14 -10.18
{ca ala a1 21}23.27 11.69 -9.96
{ca gly a1 22}23.04 10.3 -13.49
{ca glu a1 23}24.88 7.01 -13.11
{ca tyr a1 24}22.75 6.61 -9.98
{ca gly a1 25}19.29 7.31 -11.38
{ca ala a1 26}20.05 4.65 -13.99
{ca glu a1 27}21.5 2.09 -11.59
{ca ala a1 28}18.11 2.38 -9.91
{ca leu a1 29}15.95 1.81 -12.99
{ca glu a1 30}18.1 -1.26 -13.62
{ca arg a1 31}17.34 -2.45 -10.09
{ca met a1 32}13.59 -1.85 -10.29
{ca phe a1 33}13.45 -3.48 -13.73
{ca leu a1 34}15.3 -6.53 -12.41
{ca ser a1 35}13.63 -7.03 -9.03
{ca phe a1 36}10.03 -6.03 -9.64
{ca pro a1 37}9.67 -7.29 -13.24
{ca thr a1 38}6.13 -5.93 -13.3
{ca thr a1 39}7.27 -2.4 -14.1
{ca lys a1 40}8.82 -3.44 -17.41
{ca thr a1 41}5.3 -3.16 -18.79
{ca tyr a1 42}5.92 0.63 -19.4
{ca phe a1 43}9.36 0.69 -21.12
{ca pro a1 44}8.48 -1.72 -23.96
{ca his a1 45}10.61 0.56 -26.07
{ca phe a1 46}13.71 0.14 -23.83
{ca asp a1 47}16.61 -2.72 -24.
{ca leu a1 48}15.81 -2.92 -20.27
{ca ser a1 49}19.17 -4.46 -20.94
{ca his a1 50}22.24 -3.74 -18.8
{ca gly a1 51}24.49 -1.38 -20.77
{ca ser a1 52}21.35 -0.17 -22.54
{ca ala a1 53}21.87 3.47 -23.52
{ca gln a1 54}18.18 4.24 -23.1
{ca val a1 55}18.12 3.31 -19.42
{ca lys a1 56}21.46 5.11 -19.03
{ca gly a1 57}19.88 8.05 -20.83
{ca his a1 58}16.82 8.04 -18.58
{ca gly a1 59}18.79 7.86 -15.32
{ca lys a1 60}19.9 11.3 -16.35
{ca lys a1 61}16.24 12.32 -16.55
{ca val a1 62}14.96 10.79 -13.33
{ca ala a1 63}18.03 12.27 -11.71
{ca asp a1 64}17.43 15.69 -13.21
{ca ala a1 65}13.93 15.81 -11.82
{ca leu a1 66}14.96 14.52 -8.4
{ca thr a1 67}17.26 17.49 -8.16
{ca asn a1 68}14.77 20.18 -9.15
{ca ala a1 69}12.73 18.7 -6.34
{ca val a1 70}15.65 18.85 -3.9
{ca ala a1 71}15.91 22.45 -5.08
{ca his a1 72}12.36 23.8 -4.89
{ca val a1 73}11.52 21.35 -2.09
{ca asp a1 74}9.51 23.92 -0.11
{ca asp a1 75}7.15 23.7 -3.06
{ca met a1 76}7.23 20.5 -5.08
{ca pro a1 77}3.68 21.04 -6.32
{ca asn a1 78}4.77 23.73 -8.77
{ca ala a1 79}8.05 22.53 -10.04
{ca leu a1 80}7.16 18.94 -10.69
{ca ser a1 81}3.84 19.64 -12.38
{ca ala a1 82}4.33 18.34 -15.99
{ca leu a1 83}5.89 15.13 -14.68
{ca ser a1 84}2.74 14.95 -12.58
{ca asp a1 85}0.33 15.02 -15.52
{ca leu a1 86}2.56 12.97 -17.81
{ca his a1 87}2.98 10.24 -15.2
{ca ala a1 88}-0.67 10.5 -14.19
{ca his a1 89}-2.57 11.76 -17.22
{ca lys a1 90}-0.61 10.57 -20.26
{ca leu a1 91}0.9 7.33 -18.95
{ca arg a1 92}-1.13 6.05 -16.02
{ca val a1 93}1.53 4.53 -13.8
{ca asp a1 94}0.02 2.45 -11.
{ca pro a1 95}1.09 4.48 -7.98
{ca val a1 96}2.44 1.46 -6.12
{ca asn a1 97}5.26 1.8 -8.64
{ca phe a1 98}6.59 4.99 -7.05
{ca lys a1 99}6.96 3.15 -3.76
{ca leu a1 100}9.34 0.76 -5.5
{ca leu a1 101}11.62 3.06 -7.49
{ca ser a1 102}11.56 5.06 -4.28
{ca his a1 103}13.12 1.99 -2.69
{ca cys a1 104}15.68 1.04 -5.32
{ca leu a1 105}16.76 4.68 -5.28
{ca leu a1 106}17.59 4.27 -1.59
{ca val a1 107}19.26 0.89 -2.06
{ca thr a1 108}21.42 3. -4.32
{ca leu a1 109}22.26 6.04 -2.18
{ca ala a1 110}23.02 3.26 0.3
{ca ala a1 111}25.4 1.28 -1.91
{ca his a1 112}27.42 4.22 -3.22
{ca leu a1 113}27.22 6.26 -0.03
{ca pro a1 114}27.96 4.71 3.36
{ca ala a1 115}29.08 7.33 5.88
{ca glu a1 116}26.57 10. 4.94
{ca phe a1 117}23.85 7.34 4.86
{ca thr a1 118}23.2 7.38 8.61
{ca pro a1 119}19.85 6.23 9.96
{ca ala a1 120}18.46 9.74 10.42
{ca val a1 121}19.33 10.44 6.8
{ca his a1 122}17.88 7.13 5.65
{ca ala a1 123}14.66 8.53 7.08
{ca ser a1 124}14.82 11.96 5.45
{ca leu a1 125}15.63 10.59 1.99
{ca asp a1 126}12.63 8.32 2.49
{ca lys a1 127}10.49 11.23 3.66
{ca phe a1 128}11.74 13.21 0.68
{ca leu a1 129}10.73 10.61 -1.9
{ca ala a1 130}7.43 9.77 -0.26
{ca ser a1 131}6.73 13.41 -1.12
{ca val a1 132}7.91 13.27 -4.72
{ca ser a1 133}5.51 10.38 -5.3
{ca thr a1 134}2.61 12.08 -3.54
{ca val a1 135}3.16 15.07 -5.93
{ca leu a1 136}3.62 12.57 -8.81
{ca thr a1 137}0.35 10.89 -8.02
{ca ser a1 138}-1.99 13.86 -7.41
{ca lys a1 139}-4.14 14.47 -10.48
{ca tyr a1 140}-4.81 10.98 -9.19
{ca arg a1 141}-6.16 11.66 -5.71
@labellist {a1} color= yellow master= {details} off
{ C} <a1>  5.3 -3.16 -18.79
{ FG} <a1> -1.13 6.05 -16.02
@balllist {mco} color= red radius= .2 master= {details} off
{o arg a 141} -7.17 12.97 -7.47
{oxt arg a 141} -7.4 13.7 -5.34
@vectorlist {mc} color= pinktint  master= {details} off
{ca arg a 141}P -6.16 11.66 -5.71
{c arg a 141}-6.96 12.84 -6.25
{o arg a 141}-7.17 12.97 -7.47
{c arg a 141}P -6.96 12.84 -6.25 {oxt arg a 141}-7.4 13.7 -5.34
@vectorlist {heme a1} color= hotpink master= {hemes}
{fe hem a 1}P 9.12 8.51 -14.68 {n a hem a 1}9.88 10.14 -15.57
{c1a hem a 1}9.89 10.41 -16.92
{cha hem a 1}P 9.41 9.58 -17.91 {c1a hem a 1}9.89 10.41 -16.92
{c2a hem a 1}10.5 11.72 -17.15
{c3a hem a 1}10.84 12.21 -15.96
{cma hem a 1}11.51 13.55 -15.71
{c2a hem a 1}P 10.5 11.72 -17.15 {caa hem a 1}10.71 12.4 -18.48
{cba hem a 1}10.43 13.91 -18.35
{cga hem a 1}10.13 14.5 -19.73
{o1a hem a 1}10.57 13.9 -20.73
{cga hem a 1}P 10.13 14.5 -19.73 {o2a hem a 1}9.45 15.54 -19.79
{chb hem a 1}P 10.64 11.37 -13.6 {c4a hem a 1}10.46 11.23 -14.95
{fe hem a 1}P 9.12 8.51 -14.68 {n b hem a 1}9.67 9.23 -12.9
{c1b hem a 1}10.28 10.45 -12.64
{chb hem a 1}P 10.64 11.37 -13.6 {c1b hem a 1}10.28 10.45 -12.64
{c2b hem a 1}10.48 10.6 -11.21
{c3b hem a 1}10. 9.5 -10.62
{cab hem a 1}10. 9.23 -9.13
{cbb hem a 1}11.11 9.41 -8.41
{chc hem a 1}P 8.91 7.4 -11.46 {c4b hem a 1}9.49 8.63 -11.66
{c2b hem a 1}P 10.48 10.6 -11.21 {cmb hem a 1}11.11 11.78 -10.5
{fe hem a 1}P 9.12 8.51 -14.68 {n c hem a 1}8.44 6.85 -13.8
{c1c hem a 1}8.43 6.57 -12.44
{chc hem a 1}P 8.91 7.4 -11.46 {c1c hem a 1}8.43 6.57 -12.44
{c2c hem a 1}7.82 5.27 -12.22
{c3c hem a 1}7.48 4.78 -13.41
{cac hem a 1}6.81 3.44 -13.65
{cbc hem a 1}6.34 3.13 -14.86
{chd hem a 1}P 7.68 5.62 -15.77 {c4c hem a 1}7.86 5.75 -14.41
{c2c hem a 1}P 7.82 5.27 -12.22 {cmc hem a 1}7.61 4.58 -10.89
{fe hem a 1}P 9.12 8.51 -14.68 {n d hem a 1}8.65 7.75 -16.47
{c1d hem a 1}8.04 6.54 -16.73
{chd hem a 1}P 7.68 5.62 -15.77 {c1d hem a 1}8.04 6.54 -16.73
{c2d hem a 1}7.84 6.38 -18.16
{c3d hem a 1}8.32 7.48 -18.75
{cad hem a 1}8.32 7.75 -20.24
{cbd hem a 1}9.38 6.9 -20.86
{cgd hem a 1}9.44 7.23 -22.35
{o1d hem a 1}8.55 6.92 -23.07
{cgd hem a 1}P 9.44 7.23 -22.35 {o2d hem a 1}10.4 7.82 -22.81
{cha hem a 1}P 9.41 9.58 -17.91 {c4d hem a 1}8.83 8.35 -17.7
{c2d hem a 1}P 7.84 6.38 -18.16 {cmd hem a 1}7.21 5.2 -18.87
{n a hem a 1}P 9.88 10.14 -15.57 {c4a hem a 1}10.46 11.23 -14.95
{c3a hem a 1} 10.84 12.21 -15.96
{n b hem a 1}P 9.67 9.23 -12.9 {c4b hem a 1}9.49 8.63 -11.66
{c3b hem a 1} 10. 9.5 -10.62
{n c hem a 1}P 8.44 6.85 -13.8 {c4c hem a 1}7.86 5.75 -14.41
{c3c hem a 1} 7.48 4.78 -13.41
{n d hem a 1}P 8.65 7.75 -16.47 {c4d hem a 1}8.83 8.35 -17.7
{c3d hem a 1} 8.32 7.48 -18.75
{c hem a 1}P 10.53 7.38 -14.66 {o hem a 1}11.54 6.57 -14.64
@balllist {scn a1} color= blue radius= .2 master= {details} off
{ne arg a 141} -1.79 11.53 -3.48
{nh1 arg a 141} -3. 9.77 -2.51
{nh2 arg a 141} -0.72 9.92 -2.23
@vectorlist {sc} color= yellow  master= {details} off
{ca arg a 141}P -6.16 11.66 -5.71 {cb arg a 141}-5.31 12.01 -4.47
{cg arg a 141}-4.09 11.09 -4.25
{cd arg a 141}-2.81 11.87 -4.49
{ne arg a 141}-1.79 11.53 -3.48
{cz arg a 141}-1.84 10.4 -2.73
{nh1 arg a 141}-3. 9.77 -2.51
{cz arg a 141}P -1.84 10.4 -2.73 {nh2 arg a 141}-0.72 9.92 -2.23
@balllist {5scn a1} color= blue radius= .2 master= {details} off
{nz lys a 40} 12.75 -7.96 -16.65
@vectorlist {5sc a1} color= yellow  master= {details} off
{ca lys a 40}P 8.82 -3.44 -17.41 {cb lys a 40}9.35 -4.82 -17.76
{cg lys a 40}10.26 -5.44 -16.71
{cd lys a 40}11.58 -5.89 -17.32
{ce lys a 40}11.65 -7.4 -17.46
{nz lys a 40}12.75 -7.96 -16.65
@subgroup dominant {beta1} 
@vectorlist {ca-ca} color=pink master= {ca-ca}
{ca val b1 1}P 10.31 -19.76 -3.68 {ca his b1 2}12.3 -20.98 -6.68
{ca leu b1 3}15.62 -19.14 -6.67
{ca thr b1 4}17.27 -20.31 -9.88
{ca pro b1 5}20.41 -22.35 -9.24
{ca glu b1 6}22.03 -19.03 -10.08
{ca glu b1 7}20.13 -16.69 -7.77
{ca lys b1 8}20.42 -19.31 -5.03
{ca ser b1 9}24.16 -18.67 -5.08
{ca ala b1 10}24.63 -14.91 -5.1
{ca val b1 11}22.3 -15.11 -2.09
{ca thr b1 12}23.9 -17.96 -0.17
{ca ala b1 13}27.21 -16.19 -0.76
{ca leu b1 14}26.68 -12.69 0.61
{ca trp b1 15}25.14 -14.12 3.78
{ca gly b1 16}28.01 -15.88 5.55
{ca lys b1 17}29.95 -12.72 4.81
{ca val b1 18}27.15 -11.47 7.03
{ca asn b1 19}27.83 -10.35 10.6
{ca val b1 20}24.38 -11.33 11.85
{ca asp b1 21}24.6 -10.03 15.42
{ca glu b1 22}25.18 -6.51 14.15
{ca val b1 23}23.05 -6.47 11.01
{ca gly b1 24}20.14 -8.18 12.74
{ca gly b1 25}19.94 -4.77 14.4
{ca glu b1 26}21.04 -1.96 12.12
{ca ala b1 27}17.79 -3.23 10.62
{ca leu b1 28}15.27 -3.26 13.46
{ca gly b1 29}17.05 -0.06 14.46
{ca arg b1 30}16.31 1.58 11.12
{ca leu b1 31}12.72 0.37 11.03
{ca leu b1 32}11.56 2.16 14.18
{ca val b1 33}13.34 5.29 12.94
{ca val b1 34}12.14 5.35 9.35
{ca tyr b1 35}8.75 3.8 10.07
{ca pro b1 36}7.62 4.9 13.53
{ca trp b1 37}4.24 3.28 14.13
{ca thr b1 38}6.32 0.13 14.57
{ca gln b1 39}7.38 1.69 17.87
{ca arg b1 40}3.92 1.05 19.29
{ca phe b1 41}5.05 -2.58 19.59
{ca phe b1 42}8.37 -2.2 21.39
{ca glu b1 43}7.51 -0.03 24.4
{ca ser b1 44}8.33 -3.14 26.44
{ca phe b1 45}11.51 -1.44 25.28
{ca gly b1 46}13.39 1.75 26.21
{ca asp b1 47}14. 5.3 24.99
{ca leu b1 48}13.18 5.08 21.28
{ca ser b1 49}12.89 8.86 20.67
{ca thr b1 50}15.92 10.27 18.86
{ca pro b1 51}17.69 7.93 16.39
{ca asp b1 52}20.86 7.47 18.42
{ca ala b1 53}19.02 5.93 21.37
{ca val b1 54}17.63 3.11 19.28
{ca met b1 55}20.69 2.02 17.3
{ca gly b1 56}22.34 1.58 20.7
{ca asn b1 57}19.46 -0.05 22.57
{ca pro b1 58}21.24 -3.15 23.71
{ca lys b1 59}17.6 -4.16 23.59
{ca val b1 60}17.06 -3.41 19.89
{ca lys b1 61}20.43 -4.97 19.13
{ca ala b1 62}19.34 -8.09 20.98
{ca his b1 63}15.95 -8.8 19.41
{ca gly b1 64}17.49 -8.16 15.99
{ca lys b1 65}19.84 -11.08 16.44
{ca lys b1 66}16.77 -13.29 16.9
{ca val b1 67}15.64 -11.95 13.57
{ca leu b1 68}18.56 -12.26 11.17
{ca gly b1 69}17.81 -15.39 13.19
{ca ala b1 70}14.9 -16.54 11.11
{ca phe b1 71}15.91 -15.1 7.69
{ca ser b1 72}18.64 -17.66 8.3
{ca asp b1 73}16.17 -20.48 8.93
{ca gly b1 74}14.65 -19.21 5.68
{ca leu b1 75}17.59 -18.19 3.47
{ca ala b1 76}17.75 -21.98 3.34
{ca his b1 77}14.64 -23.97 4.12
{ca leu b1 78}13.4 -21.97 1.12
{ca asp b1 79}11.26 -24.97 0.48
{ca asn b1 80}8.26 -24.41 2.74
{ca leu b1 81}9.39 -20.86 3.61
{ca lys b1 82}5.81 -21.6 4.66
{ca gly b1 83}6.35 -24.01 7.57
{ca thr b1 84}9.61 -22.85 9.13
{ca phe b1 85}7.27 -20. 10.04
{ca ala b1 86}3.89 -21.25 11.24
{ca thr b1 87}4.58 -20.43 14.89
{ca leu b1 88}5.99 -16.93 14.41
{ca ser b1 89}3.13 -16.03 12.09
{ca glu b1 90}0.76 -17.43 14.69
{ca leu b1 91}2.86 -15.12 16.84
{ca his b1 92}3.02 -12.01 14.71
{ca cys b1 93}-0.54 -12.31 13.42
{ca asp b1 94}-3.08 -13.39 15.97
{ca lys b1 95}-0.98 -12.34 18.95
{ca leu b1 96}0.43 -8.87 18.29
{ca his b1 97}-1.64 -8.24 15.17
{ca val b1 98}1.12 -6.63 13.12
{ca asp b1 99}-0.5 -5.73 9.81
{ca pro b1 100}1.2 -7.69 7.03
{ca glu b1 101}2.84 -4.86 5.09
{ca asn b1 102}5.06 -3.99 8.04
{ca phe b1 103}6.41 -7.39 7.01
{ca arg b1 104}7.56 -5.92 3.73
{ca leu b1 105}8.93 -2.69 5.15
{ca leu b1 106}11.21 -4.87 7.26
{ca gly b1 107}12.71 -7.16 4.63
{ca asn b1 108}12.78 -4.03 2.47
{ca val b1 109}14.95 -2.07 4.9
{ca leu b1 110}16.93 -5.23 5.57
{ca val b1 111}17.94 -4.96 1.92
{ca cys b1 112}18.86 -1.29 2.27
{ca val b1 113}21.16 -2.62 4.98
{ca leu b1 114}22.54 -5.56 3.02
{ca ala b1 115}23.37 -2.92 0.42
{ca his b1 116}24.75 -0.33 2.82
{ca his b1 117}27.25 -2.91 4.05
{ca phe b1 118}28.47 -4.68 0.92
{ca gly b1 119}28.44 -1.68 -1.4
{ca lys b1 120}29.25 -2.41 -5.03
{ca glu b1 121}28.93 -6.17 -4.7
{ca phe b1 122}25.19 -6. -4.12
{ca thr b1 123}25.02 -5.81 -7.92
{ca pro b1 124}21.37 -5.61 -8.96
{ca pro b1 125}20.74 -9.16 -10.16
{ca val b1 126}22.02 -9.82 -6.65
{ca gln b1 127}19.44 -7.59 -4.98
{ca ala b1 128}16.76 -8.88 -7.34
{ca ala b1 129}17.15 -12.26 -5.77
{ca tyr b1 130}16.77 -10.86 -2.25
{ca gln b1 131}13.53 -9.1 -3.03
{ca lys b1 132}12.41 -12.64 -3.82
{ca val b1 133}13.5 -14.37 -0.63
{ca val b1 134}12.18 -11.43 1.35
{ca ala b1 135}8.83 -11.18 -0.45
{ca gly b1 136}8.84 -14.9 0.31
{ca val b1 137}9.6 -14.69 4.05
{ca ala b1 138}6.84 -12.1 4.1
{ca asn b1 139}4.14 -14.1 2.34
{ca ala b1 140}5.02 -16.77 4.95
{ca leu b1 141}4.56 -14.92 8.27
{ca ala b1 142}1.44 -13.41 6.92
{ca his b1 143}-0.21 -16.82 6.1
{ca lys b1 144}-2.76 -16.71 8.93
{ca tyr b1 145}-4.74 -13.64 7.88
{ca his b1 146}-6.51 -16.26 5.78
@vectorlist {heme b1} color=hotpink master= {hemes}
{fe hem b 1}P 8.8 -9.89 14.74 {n a hem b 1}9.85 -11.35 15.67
{c1a hem b 1}9.85 -11.63 17.02
{cha hem b 1}P 9.25 -10.86 17.99 {c1a hem b 1}9.85 -11.63 17.02
{c2a hem b 1}10.59 -12.86 17.26
{c3a hem b 1}11.02 -13.31 16.07
{cma hem b 1}11.83 -14.56 15.85
{chb hem b 1}P 10.8 -12.47 13.71 {c4a hem b 1}10.56 -12.36 15.06
{c2a hem b 1}P 10.59 -12.86 17.26 {caa hem b 1}10.83 -13.53 18.59
{cba hem b 1}10.26 -14.91 18.52
{cga hem b 1}10.78 -15.69 19.74
{o1a hem b 1}10.24 -16.74 20.06
{cga hem b 1}P 10.78 -15.69 19.74 {o2a hem b 1}11.68 -15.29 20.37
{fe hem b 1}P 8.8 -9.89 14.74 {n b hem b 1}9.63 -10.45 12.99
{c1b hem b 1}10.37 -11.59 12.75
{chb hem b 1}P 10.8 -12.47 13.71 {c1b hem b 1}10.37 -11.59 12.75
{c2b hem b 1}10.63 -11.71 11.33
{c3b hem b 1}10.06 -10.66 10.73
{cab hem b 1}10.08 -10.38 9.24
{cbb hem b 1}11.04 -10.88 8.47
{chc hem b 1}P 8.73 -8.69 11.54 {c4b hem b 1}9.43 -9.86 11.76
{c2b hem b 1}P 10.63 -11.71 11.33 {cmb hem b 1}11.4 -12.81 10.63
{fe hem b 1}P 8.8 -9.89 14.74 {n c hem b 1}8.13 -8.21 13.87
{c1c hem b 1}8.13 -7.93 12.51
{chc hem b 1}P 8.73 -8.69 11.54 {c1c hem b 1}8.13 -7.93 12.51
{c2c hem b 1}7.39 -6.7 12.28
{c3c hem b 1}6.97 -6.25 13.46
{cac hem b 1}6.15 -4.99 13.69
{cbc hem b 1}6.5 -4.13 14.64
{chd hem b 1}P 7.18 -7.08 15.82 {c4c hem b 1}7.42 -7.19 14.47
{c2c hem b 1}P 7.39 -6.7 12.28 {cmc hem b 1}7.15 -6.03 10.94
{fe hem b 1}P 8.8 -9.89 14.74 {n d hem b 1}8.35 -9.11 16.54
{c1d hem b 1}7.61 -7.97 16.78
{chd hem b 1}P 7.18 -7.08 15.82 {c1d hem b 1}7.61 -7.97 16.78
{c2d hem b 1}7.35 -7.85 18.21
{c3d hem b 1}7.92 -8.89 18.81
{cad hem b 1}7.91 -9.17 20.29
{cbd hem b 1}7.58 -10.65 20.55
{cgd hem b 1}6.51 -10.76 21.65
{o1d hem b 1}6.49 -9.88 22.52
{cgd hem b 1}P 6.51 -10.76 21.65 {o2d hem b 1}5.74 -11.73 21.62
{cha hem b 1}P 9.25 -10.86 17.99 {c4d hem b 1}8.55 -9.7 17.77
{c2d hem b 1}P 7.35 -7.85 18.21 {cmd hem b 1}6.58 -6.75 18.9
{n a hem b 1}P 9.85 -11.35 15.67 {c4a hem b 1}10.56 -12.36 15.06
{c3a hem b 1} 11.02 -13.31 16.07
{n b hem b 1}P 9.63 -10.45 12.99 {c4b hem b 1}9.43 -9.86 11.76
{c3b hem b 1} 10.06 -10.66 10.73
{n c hem b 1}P 8.13 -8.21 13.87 {c4c hem b 1}7.42 -7.19 14.47
{c3c hem b 1} 6.97 -6.25 13.46
{n d hem b 1}P 8.35 -9.11 16.54 {c4d hem b 1}8.55 -9.7 17.77
{c3d hem b 1} 7.92 -8.89 18.81
{c hem b 1}P 10.09 -8.65 14.88 {o hem b 1}11.02 -7.75 14.98
@subgroup dominant {alpha2} 
@vectorlist {ca-ca} color=pinktint master= {ca-ca}
{ca val a2 1}P -5.66 17.22 -7.28 {ca leu a2 2}-9. 17.66 -5.6
{ca ser a2 3}-10.76 19.58 -8.34
{ca pro a2 4}-13.47 22.26 -8.79
{ca ala a2 5}-15.93 19.46 -9.24
{ca asp a2 6}-14.86 16.73 -6.81
{ca lys a2 7}-15.21 19.5 -4.19
{ca thr a2 8}-18.82 19.64 -5.35
{ca asn a2 9}-19.72 15.97 -5.27
{ca val a2 10}-18.57 15.87 -1.65
{ca lys a2 11}-20.07 19.18 -0.54
{ca ala a2 12}-23.2 17.46 -1.89
{ca ala a2 13}-23.02 13.82 -0.97
{ca trp a2 14}-22.32 14.88 2.59
{ca gly a2 15}-25.13 17.57 2.02
{ca lys a2 16}-27.67 14.77 2.09
{ca val a2 17}-26.07 12.48 4.66
{ca gly a2 18}-26.58 15.17 7.27
{ca ala a2 19}-28.68 14.55 10.5
{ca his a2 20}-27.03 11.14 10.18
{ca ala a2 21}-23.27 11.69 9.96
{ca gly a2 22}-23.04 10.3 13.49
{ca glu a2 23}-24.88 7.01 13.11
{ca tyr a2 24}-22.75 6.61 9.98
{ca gly a2 25}-19.29 7.31 11.38
{ca ala a2 26}-20.05 4.65 13.99
{ca glu a2 27}-21.5 2.09 11.59
{ca ala a2 28}-18.11 2.38 9.91
{ca leu a2 29}-15.95 1.81 12.99
{ca glu a2 30}-18.1 -1.26 13.62
{ca arg a2 31}-17.34 -2.45 10.09
{ca met a2 32}-13.59 -1.85 10.29
{ca phe a2 33}-13.45 -3.48 13.73
{ca leu a2 34}-15.3 -6.53 12.41
{ca ser a2 35}-13.63 -7.03 9.03
{ca phe a2 36}-10.03 -6.03 9.64
{ca pro a2 37}-9.67 -7.29 13.24
{ca thr a2 38}-6.13 -5.93 13.3
{ca thr a2 39}-7.27 -2.4 14.1
{ca lys a2 40}-8.82 -3.44 17.41
{ca thr a2 41}-5.3 -3.16 18.79
{ca tyr a2 42}-5.92 0.63 19.4
{ca phe a2 43}-9.36 0.69 21.12
{ca pro a2 44}-8.48 -1.72 23.96
{ca his a2 45}-10.61 0.56 26.07
{ca phe a2 46}-13.71 0.14 23.83
{ca asp a2 47}-16.61 -2.72 24.
{ca leu a2 48}-15.81 -2.92 20.27
{ca ser a2 49}-19.17 -4.46 20.94
{ca his a2 50}-22.24 -3.74 18.8
{ca gly a2 51}-24.49 -1.38 20.77
{ca ser a2 52}-21.35 -0.17 22.54
{ca ala a2 53}-21.87 3.47 23.52
{ca gln a2 54}-18.18 4.24 23.1
{ca val a2 55}-18.12 3.31 19.42
{ca lys a2 56}-21.46 5.11 19.03
{ca gly a2 57}-19.88 8.05 20.83
{ca his a2 58}-16.82 8.04 18.58
{ca gly a2 59}-18.79 7.86 15.32
{ca lys a2 60}-19.9 11.3 16.35
{ca lys a2 61}-16.24 12.32 16.55
{ca val a2 62}-14.96 10.79 13.33
{ca ala a2 63}-18.03 12.27 11.71
{ca asp a2 64}-17.43 15.69 13.21
{ca ala a2 65}-13.93 15.81 11.82
{ca leu a2 66}-14.96 14.52 8.4
{ca thr a2 67}-17.26 17.49 8.16
{ca asn a2 68}-14.77 20.18 9.15
{ca ala a2 69}-12.73 18.7 6.34
{ca val a2 70}-15.65 18.85 3.9
{ca ala a2 71}-15.91 22.45 5.08
{ca his a2 72}-12.36 23.8 4.89
{ca val a2 73}-11.52 21.35 2.09
{ca asp a2 74}-9.51 23.92 0.11
{ca asp a2 75}-7.15 23.7 3.06
{ca met a2 76}-7.23 20.5 5.08
{ca pro a2 77}-3.68 21.04 6.32
{ca asn a2 78}-4.77 23.73 8.77
{ca ala a2 79}-8.05 22.53 10.04
{ca leu a2 80}-7.16 18.94 10.69
{ca ser a2 81}-3.84 19.64 12.38
{ca ala a2 82}-4.33 18.34 15.99
{ca leu a2 83}-5.89 15.13 14.68
{ca ser a2 84}-2.74 14.95 12.58
{ca asp a2 85}-0.33 15.02 15.52
{ca leu a2 86}-2.56 12.97 17.81
{ca his a2 87}-2.98 10.24 15.2
{ca ala a2 88}0.67 10.5 14.19
{ca his a2 89}2.57 11.76 17.22
{ca lys a2 90}0.61 10.57 20.26
{ca leu a2 91}-0.9 7.33 18.95
{ca arg a2 92}1.13 6.05 16.02
{ca val a2 93}-1.53 4.53 13.8
{ca asp a2 94}-0.02 2.45 11.
{ca pro a2 95}-1.09 4.48 7.98
{ca val a2 96}-2.44 1.46 6.12
{ca asn a2 97}-5.26 1.8 8.64
{ca phe a2 98}-6.59 4.99 7.05
{ca lys a2 99}-6.96 3.15 3.76
{ca leu a2 100}-9.34 0.76 5.5
{ca leu a2 101}-11.62 3.06 7.49
{ca ser a2 102}-11.56 5.06 4.28
{ca his a2 103}-13.12 1.99 2.69
{ca cys a2 104}-15.68 1.04 5.32
{ca leu a2 105}-16.76 4.68 5.28
{ca leu a2 106}-17.59 4.27 1.59
{ca val a2 107}-19.26 0.89 2.06
{ca thr a2 108}-21.42 3. 4.32
{ca leu a2 109}-22.26 6.04 2.18
{ca ala a2 110}-23.02 3.26 -0.3
{ca ala a2 111}-25.4 1.28 1.91
{ca his a2 112}-27.42 4.22 3.22
{ca leu a2 113}-27.22 6.26 0.03
{ca pro a2 114}-27.96 4.71 -3.36
{ca ala a2 115}-29.08 7.33 -5.88
{ca glu a2 116}-26.57 10. -4.94
{ca phe a2 117}-23.85 7.34 -4.86
{ca thr a2 118}-23.2 7.38 -8.61
{ca pro a2 119}-19.85 6.23 -9.96
{ca ala a2 120}-18.46 9.74 -10.42
{ca val a2 121}-19.33 10.44 -6.8
{ca his a2 122}-17.88 7.13 -5.65
{ca ala a2 123}-14.66 8.53 -7.08
{ca ser a2 124}-14.82 11.96 -5.45
{ca leu a2 125}-15.63 10.59 -1.99
{ca asp a2 126}-12.63 8.32 -2.49
{ca lys a2 127}-10.49 11.23 -3.66
{ca phe a2 128}-11.74 13.21 -0.68
{ca leu a2 129}-10.73 10.61 1.9
{ca ala a2 130}-7.43 9.77 0.26
{ca ser a2 131}-6.73 13.41 1.12
{ca val a2 132}-7.91 13.27 4.72
{ca ser a2 133}-5.51 10.38 5.3
{ca thr a2 134}-2.61 12.08 3.54
{ca val a2 135}-3.16 15.07 5.93
{ca leu a2 136}-3.62 12.57 8.81
{ca thr a2 137}-0.35 10.89 8.02
{ca ser a2 138}1.99 13.86 7.41
{ca lys a2 139}4.14 14.47 10.48
{ca tyr a2 140}4.81 10.98 9.19
{ca arg a2 141}6.16 11.66 5.71
@balllist {mcn a2} color= blue radius= .2 master= {details} off
{n val a 1} -5.64 17.21 -8.69
@vectorlist {mc} color= pinktint master= {details} off
{n val a 1}P -5.64 17.21 -8.69 {ca val a 1}-5.66 17.22 -7.28
@vectorlist {heme a2} color=hotpink master= {hemes}
{fe hem a 2}P -9.12 8.51 14.68 {n a hem a 2}-9.88 10.14 15.57
{c1a hem a 2}-9.89 10.41 16.92
{cha hem a 2}P -9.41 9.58 17.91 {c1a hem a 2}-9.89 10.41 16.92
{c2a hem a 2}-10.5 11.72 17.15
{c3a hem a 2}-10.84 12.21 15.96
{cma hem a 2}-11.51 13.55 15.71
{chb hem a 2}P -10.64 11.37 13.6 {c4a hem a 2}-10.46 11.23 14.95
{c2a hem a 2}P -10.5 11.72 17.15 {caa hem a 2}-10.71 12.4 18.48
{cba hem a 2}-10.43 13.91 18.35
{cga hem a 2}-10.13 14.5 19.73
{o1a hem a 2}-10.57 13.9 20.73
{cga hem a 2}P -10.13 14.5 19.73 {o2a hem a 2}-9.45 15.54 19.79
{fe hem a 2}P -9.12 8.51 14.68 {n b hem a 2}-9.67 9.23 12.9
{c1b hem a 2}-10.28 10.45 12.64
{chb hem a 2}P -10.64 11.37 13.6 {c1b hem a 2}-10.28 10.45 12.64
{c2b hem a 2}-10.48 10.6 11.21
{c3b hem a 2}-10. 9.5 10.62
{cab hem a 2}-10. 9.23 9.13
{cbb hem a 2}-11.11 9.41 8.41
{chc hem a 2}P -8.91 7.4 11.46 {c4b hem a 2}-9.49 8.63 11.66
{c2b hem a 2}P -10.48 10.6 11.21 {cmb hem a 2}-11.11 11.78 10.5
{fe hem a 2}P -9.12 8.51 14.68 {n c hem a 2}-8.44 6.85 13.8
{c1c hem a 2}-8.43 6.57 12.44
{chc hem a 2}P -8.91 7.4 11.46 {c1c hem a 2}-8.43 6.57 12.44
{c2c hem a 2}-7.82 5.27 12.22
{c3c hem a 2}-7.48 4.78 13.41
{cac hem a 2}-6.81 3.44 13.65
{cbc hem a 2}-6.34 3.13 14.86
{chd hem a 2}P -7.68 5.62 15.77 {c4c hem a 2}-7.86 5.75 14.41
{c2c hem a 2}P -7.82 5.27 12.22 {cmc hem a 2}-7.61 4.58 10.89
{fe hem a 2}P -9.12 8.51 14.68 {n d hem a 2}-8.65 7.75 16.47
{c1d hem a 2}-8.04 6.54 16.73
{chd hem a 2}P -7.68 5.62 15.77 {c1d hem a 2}-8.04 6.54 16.73
{c2d hem a 2}-7.84 6.38 18.16
{c3d hem a 2}-8.32 7.48 18.75
{cad hem a 2}-8.32 7.75 20.24
{cbd hem a 2}-9.38 6.9 20.86
{cgd hem a 2}-9.44 7.23 22.35
{o1d hem a 2}-8.55 6.92 23.07
{cgd hem a 2}P -9.44 7.23 22.35 {o2d hem a 2}-10.4 7.82 22.81
{cha hem a 2}P -9.41 9.58 17.91 {c4d hem a 2}-8.83 8.35 17.7
{c2d hem a 2}P -7.84 6.38 18.16 {cmd hem a 2}-7.21 5.2 18.87
{n a hem a 2}P -9.88 10.14 15.57 {c4a hem a 2}-10.46 11.23 14.95
{c3a hem a 2} -10.84 12.21 15.96
{n b hem a 2}P -9.67 9.23 12.9 {c4b hem a 2}-9.49 8.63 11.66
{c3b hem a 2} -10. 9.5 10.62
{n c hem a 2}P -8.44 6.85 13.8 {c4c hem a 2}-7.86 5.75 14.41
{c3c hem a 2} -7.48 4.78 13.41
{n d hem a 2}P -8.65 7.75 16.47 {c4d hem a 2}-8.83 8.35 17.7
{c3d hem a 2} -8.32 7.48 18.75
{c hem a 2}P -10.53 7.38 14.66 {o hem a 2}-11.54 6.57 14.64
@balllist {scn a2} color= blue radius= .2 master= {details} off
{nz lys a 127} -9.67 12.17 -9.63
@balllist {sco} color= red radius= .2 master= {details} off
{od1 asp a 126} -10.19 6.61 -3.79
{od2 asp a 126} -11.47 5.4 -2.67
@vectorlist {sc} color= yellow  master= {details} off
{ca asp a 126}P -12.63 8.32 -2.49 {cb asp a 126}-12.52 7.23 -3.57
{cg asp a 126}-11.3 6.36 -3.36
{od1 asp a 126}-10.19 6.61 -3.79
{cg asp a 126}P -11.3 6.36 -3.36 {od2 asp a 126}-11.47 5.4 -2.67
{ca lys a 127}P -10.49 11.23 -3.66 {cb lys a 127}-10.7 12.05 -4.93
{cg lys a 127}-10.37 11.31 -6.21
{cd lys a 127}-10.8 12.12 -7.43
{ce lys a 127}-10.53 11.37 -8.73
{nz lys a 127}-9.67 12.17 -9.63
@subgroup dominant {beta2} 
@vectorlist {ca-ca} color=pink master= {ca-ca}
{ca val b2 1}P -10.31 -19.76 3.68 {ca his b2 2}-12.3 -20.98 6.68
{ca leu b2 3}-15.62 -19.14 6.67
{ca thr b2 4}-17.27 -20.31 9.88
{ca pro b2 5}-20.41 -22.35 9.24
{ca glu b2 6}-22.03 -19.03 10.08
{ca glu b2 7}-20.13 -16.69 7.77
{ca lys b2 8}-20.42 -19.31 5.03
{ca ser b2 9}-24.16 -18.67 5.08
{ca ala b2 10}-24.63 -14.91 5.1
{ca val b2 11}-22.3 -15.11 2.09
{ca thr b2 12}-23.9 -17.96 0.17
{ca ala b2 13}-27.21 -16.19 0.76
{ca leu b2 14}-26.68 -12.69 -0.61
{ca trp b2 15}-25.14 -14.12 -3.78
{ca gly b2 16}-28.01 -15.88 -5.55
{ca lys b2 17}-29.95 -12.72 -4.81
{ca val b2 18}-27.15 -11.47 -7.03
{ca asn b2 19}-27.83 -10.35 -10.6
{ca val b2 20}-24.38 -11.33 -11.85
{ca asp b2 21}-24.6 -10.03 -15.42
{ca glu b2 22}-25.18 -6.51 -14.15
{ca val b2 23}-23.05 -6.47 -11.01
{ca gly b2 24}-20.14 -8.18 -12.74
{ca gly b2 25}-19.94 -4.77 -14.4
{ca glu b2 26}-21.04 -1.96 -12.12
{ca ala b2 27}-17.79 -3.23 -10.62
{ca leu b2 28}-15.27 -3.26 -13.46
{ca gly b2 29}-17.05 -0.06 -14.46
{ca arg b2 30}-16.31 1.58 -11.12
{ca leu b2 31}-12.72 0.37 -11.03
{ca leu b2 32}-11.56 2.16 -14.18
{ca val b2 33}-13.34 5.29 -12.94
{ca val b2 34}-12.14 5.35 -9.35
{ca tyr b2 35}-8.75 3.8 -10.07
{ca pro b2 36}-7.62 4.9 -13.53
{ca trp b2 37}-4.24 3.28 -14.13
{ca thr b2 38}-6.32 0.13 -14.57
{ca gln b2 39}-7.38 1.69 -17.87
{ca arg b2 40}-3.92 1.05 -19.29
{ca phe b2 41}-5.05 -2.58 -19.59
{ca phe b2 42}-8.37 -2.2 -21.39
{ca glu b2 43}-7.51 -0.03 -24.4
{ca ser b2 44}-8.33 -3.14 -26.44
{ca phe b2 45}-11.51 -1.44 -25.28
{ca gly b2 46}-13.39 1.75 -26.21
{ca asp b2 47}-14. 5.3 -24.99
{ca leu b2 48}-13.18 5.08 -21.28
{ca ser b2 49}-12.89 8.86 -20.67
{ca thr b2 50}-15.92 10.27 -18.86
{ca pro b2 51}-17.69 7.93 -16.39
{ca asp b2 52}-20.86 7.47 -18.42
{ca ala b2 53}-19.02 5.93 -21.37
{ca val b2 54}-17.63 3.11 -19.28
{ca met b2 55}-20.69 2.02 -17.3
{ca gly b2 56}-22.34 1.58 -20.7
{ca asn b2 57}-19.46 -0.05 -22.57
{ca pro b2 58}-21.24 -3.15 -23.71
{ca lys b2 59}-17.6 -4.16 -23.59
{ca val b2 60}-17.06 -3.41 -19.89
{ca lys b2 61}-20.43 -4.97 -19.13
{ca ala b2 62}-19.34 -8.09 -20.98
{ca his b2 63}-15.95 -8.8 -19.41
{ca gly b2 64}-17.49 -8.16 -15.99
{ca lys b2 65}-19.84 -11.08 -16.44
{ca lys b2 66}-16.77 -13.29 -16.9
{ca val b2 67}-15.64 -11.95 -13.57
{ca leu b2 68}-18.56 -12.26 -11.17
{ca gly b2 69}-17.81 -15.39 -13.19
{ca ala b2 70}-14.9 -16.54 -11.11
{ca phe b2 71}-15.91 -15.1 -7.69
{ca ser b2 72}-18.64 -17.66 -8.3
{ca asp b2 73}-16.17 -20.48 -8.93
{ca gly b2 74}-14.65 -19.21 -5.68
{ca leu b2 75}-17.59 -18.19 -3.47
{ca ala b2 76}-17.75 -21.98 -3.34
{ca his b2 77}-14.64 -23.97 -4.12
{ca leu b2 78}-13.4 -21.97 -1.12
{ca asp b2 79}-11.26 -24.97 -0.48
{ca asn b2 80}-8.26 -24.41 -2.74
{ca leu b2 81}-9.39 -20.86 -3.61
{ca lys b2 82}-5.81 -21.6 -4.66
{ca gly b2 83}-6.35 -24.01 -7.57
{ca thr b2 84}-9.61 -22.85 -9.13
{ca phe b2 85}-7.27 -20. -10.04
{ca ala b2 86}-3.89 -21.25 -11.24
{ca thr b2 87}-4.58 -20.43 -14.89
{ca leu b2 88}-5.99 -16.93 -14.41
{ca ser b2 89}-3.13 -16.03 -12.09
{ca glu b2 90}-0.76 -17.43 -14.69
{ca leu b2 91}-2.86 -15.12 -16.84
{ca his b2 92}-3.02 -12.01 -14.71
{ca cys b2 93}0.54 -12.31 -13.42
{ca asp b2 94}3.08 -13.39 -15.97
{ca lys b2 95}0.98 -12.34 -18.95
{ca leu b2 96}-0.43 -8.87 -18.29
{ca his b2 97}1.64 -8.24 -15.17
{ca val b2 98}-1.12 -6.63 -13.12
{ca asp b2 99}0.5 -5.73 -9.81
{ca pro b2 100}-1.2 -7.69 -7.03
{ca glu b2 101}-2.84 -4.86 -5.09
{ca asn b2 102}-5.06 -3.99 -8.04
{ca phe b2 103}-6.41 -7.39 -7.01
{ca arg b2 104}-7.56 -5.92 -3.73
{ca leu b2 105}-8.93 -2.69 -5.15
{ca leu b2 106}-11.21 -4.87 -7.26
{ca gly b2 107}-12.71 -7.16 -4.63
{ca asn b2 108}-12.78 -4.03 -2.47
{ca val b2 109}-14.95 -2.07 -4.9
{ca leu b2 110}-16.93 -5.23 -5.57
{ca val b2 111}-17.94 -4.96 -1.92
{ca cys b2 112}-18.86 -1.29 -2.27
{ca val b2 113}-21.16 -2.62 -4.98
{ca leu b2 114}-22.54 -5.56 -3.02
{ca ala b2 115}-23.37 -2.92 -0.42
{ca his b2 116}-24.75 -0.33 -2.82
{ca his b2 117}-27.25 -2.91 -4.05
{ca phe b2 118}-28.47 -4.68 -0.92
{ca gly b2 119}-28.44 -1.68 1.4
{ca lys b2 120}-29.25 -2.41 5.03
{ca glu b2 121}-28.93 -6.17 4.7
{ca phe b2 122}-25.19 -6. 4.12
{ca thr b2 123}-25.02 -5.81 7.92
{ca pro b2 124}-21.37 -5.61 8.96
{ca pro b2 125}-20.74 -9.16 10.16
{ca val b2 126}-22.02 -9.82 6.65
{ca gln b2 127}-19.44 -7.59 4.98
{ca ala b2 128}-16.76 -8.88 7.34
{ca ala b2 129}-17.15 -12.26 5.77
{ca tyr b2 130}-16.77 -10.86 2.25
{ca gln b2 131}-13.53 -9.1 3.03
{ca lys b2 132}-12.41 -12.64 3.82
{ca val b2 133}-13.5 -14.37 0.63
{ca val b2 134}-12.18 -11.43 -1.35
{ca ala b2 135}-8.83 -11.18 0.45
{ca gly b2 136}-8.84 -14.9 -0.31
{ca val b2 137}-9.6 -14.69 -4.05
{ca ala b2 138}-6.84 -12.1 -4.1
{ca asn b2 139}-4.14 -14.1 -2.34
{ca ala b2 140}-5.02 -16.77 -4.95
{ca leu b2 141}-4.56 -14.92 -8.27
{ca ala b2 142}-1.44 -13.41 -6.92
{ca his b2 143}0.21 -16.82 -6.1
{ca lys b2 144}2.76 -16.71 -8.93
{ca tyr b2 145}4.74 -13.64 -7.88
{ca his b2 146}6.51 -16.26 -5.78
@labellist {b2} color= yellow master= {details} off
{ C} -3.92 1.05 -19.29
{ FG} <b2>  1.64 -8.24 -15.17
@vectorlist {heme b2} color=hotpink master= {hemes}
{fe hem b 2}P -8.8 -9.89 -14.74 {n a hem b 2}-9.85 -11.35 -15.67
{c4a hem b 2}-10.56 -12.36 -15.06
{cha hem b 2}P -9.25 -10.86 -17.99 {c1a hem b 2}-9.85 -11.63 -17.02
{c2a hem b 2}-10.59 -12.86 -17.26
{c3a hem b 2}-11.02 -13.31 -16.07
{cma hem b 2}-11.83 -14.56 -15.85
{chb hem b 2}P -10.8 -12.47 -13.71 {c4a hem b 2}-10.56 -12.36 -15.06
{c2a hem b 2}P -10.59 -12.86 -17.26 {caa hem b 2}-10.83 -13.53 -18.59
{cba hem b 2}-10.26 -14.91 -18.52
{cga hem b 2}-10.78 -15.69 -19.74
{cga hem b 2}P -10.78 -15.69 -19.74 {o1a hem b 2}-10.24 -16.74 -20.06
{o2a hem b 2}-11.68 -15.29 -20.37
{fe hem b 2}P -8.8 -9.89 -14.74 {n b hem b 2}-9.63 -10.45 -12.99
{c1b hem b 2}-10.37 -11.59 -12.75
{chb hem b 2}P -10.8 -12.47 -13.71 {c1b hem b 2}-10.37 -11.59 -12.75
{c2b hem b 2}-10.63 -11.71 -11.33
{c3b hem b 2}-10.06 -10.66 -10.73
{c4b hem b 2}-9.43 -9.86 -11.76
{chc hem b 2} -8.73 -8.69 -11.54
{c2b hem b 2}P -10.63 -11.71 -11.33 {cmb hem b 2}-11.4 -12.81 -10.63
{c3b hem b 2}P -10.06 -10.66 -10.73 {cab hem b 2}-10.08 -10.38 -9.24
{cbb hem b 2}-11.04 -10.88 -8.47
{fe hem b 2}P -8.8 -9.89 -14.74 {n c hem b 2}-8.13 -8.21 -13.87
{c1c hem b 2}-8.13 -7.93 -12.51
{chc hem b 2}P -8.73 -8.69 -11.54 {c1c hem b 2}-8.13 -7.93 -12.51
{c2c hem b 2}-7.39 -6.7 -12.28
{c3c hem b 2}-6.97 -6.25 -13.46
{chd hem b 2}P -7.18 -7.08 -15.82 {c4c hem b 2}-7.42 -7.19 -14.47
{c2c hem b 2}P -7.39 -6.7 -12.28 {cmc hem b 2}-7.15 -6.03 -10.94
{c3c hem b 2}P -6.97 -6.25 -13.46 {cac hem b 2}-6.15 -4.99 -13.69
{cbc hem b 2}-6.5 -4.13 -14.64
{fe hem b 2}P -8.8 -9.89 -14.74 {n d hem b 2}-8.35 -9.11 -16.54
{c1d hem b 2}-7.61 -7.97 -16.78
{chd hem b 2}P -7.18 -7.08 -15.82 {c1d hem b 2}-7.61 -7.97 -16.78
{c2d hem b 2}-7.35 -7.85 -18.21
{c3d hem b 2}-7.92 -8.89 -18.81
{c4d hem b 2}-8.55 -9.7 -17.77
{n d hem b 2} -8.35 -9.11 -16.54
{cha hem b 2}P -9.25 -10.86 -17.99 {c4d hem b 2}-8.55 -9.7 -17.77
{c2d hem b 2}P -7.35 -7.85 -18.21 {cmd hem b 2}-6.58 -6.75 -18.9
{c3d hem b 2}P -7.92 -8.89 -18.81 {cad hem b 2}-7.91 -9.17 -20.29
{cbd hem b 2}-7.58 -10.65 -20.55
{cgd hem b 2}-6.51 -10.76 -21.65
{o1d hem b 2}-6.49 -9.88 -22.52
{cgd hem b 2}P -6.51 -10.76 -21.65 {o2d hem b 2}-5.74 -11.73 -21.62
{c1a hem b 2}P -9.85 -11.63 -17.02
{c3a hem b 2}P -11.02 -13.31 -16.07 {c4a hem b 2}-10.56 -12.36 -15.06
{n b hem b 2}P -9.63 -10.45 -12.99 {c4b hem b 2}-9.43 -9.86 -11.76
{c4c hem b 2}P -7.42 -7.19 -14.47
{c3c hem b 2} -6.97 -6.25 -13.46 {c4c hem b 2}-7.42 -7.19 -14.47
{c hem b 2}P -10.09 -8.65 -14.88 {o hem b 2}-11.02 -7.75 -14.98
@balllist {mco} color= red radius= .2 master= {details} off
{o his b 146} 6.63 -17.9 -7.55
{oxt his b 146} 8.57 -17.17 -6.65
@vectorlist {mc b2} color= pink master= {details} off
{ca his b 146}P 6.51 -16.26 -5.78
{c his b 146}7.25 -17.19 -6.74
{o his b 146}6.63 -17.9 -7.55
{c his b 146}P 7.25 -17.19 -6.74 {oxt his b 146}8.57 -17.17 -6.65
@balllist {scn b2} color= blue radius= .2 master= {details} off
{nd1 his b 146} 4.17 -14.98 -4.66
{ne2 his b 146} 2.7 -15.52 -3.2
@balllist {sco} color= red radius= .2 master= {details} off
{od1 asp b 94} 1.78 -15.86 -15.56
{od2 asp b 94} 3.48 -16.63 -14.62
@vectorlist {sc b2} color= yellow master= {details} off
{ca asp b 94}P 3.08 -13.39 -15.97 {cb asp b 94}3.88 -14.69 -15.78
{cg asp b 94}2.96 -15.78 -15.29
{od1 asp b 94}1.78 -15.86 -15.56
{cg asp b 94}P 2.96 -15.78 -15.29 {od2 asp b 94}3.48 -16.63 -14.62
{ca his b 146}P 6.51 -16.26 -5.78 {cb his b 146}5.71 -16.99 -4.7
{cg his b 146}4.5 -16.24 -4.2
{nd1 his b 146}4.17 -14.98 -4.66
{ce1 his b 146}3.08 -14.57 -4.03
{ne2 his b 146}2.7 -15.52 -3.2
{cg his b 146}P 4.5 -16.24 -4.2 {cd2 his b 146}3.57 -16.56 -3.26
{ne2 his b 146}2.7 -15.52 -3.2

@kinemage 2
@caption 
Human hemoglobin alpha1 subunit, deoxy (blue shades) vs oxy (pink shades) structures.  Click on "animate" to switch between the two structures, and turn on "highlights" for any of the closeups.
   View1 shows the overall alpha subunit, Views 2 and 3 are closeups of the heme site, View4 shows the hydrophobic heme pocket, View5 moves out from the heme toward the interface with alpha 2 (alpha 2 not shown), and View6 goes to our standard orientation centered as if in the tetramer: see View1 of Kin.1.

@viewid {subunit}
@zoom 0.91 
@zslab 150 
@center 12.158 7.117 -5.574 
@matrix 
 0.62989 -0.30394  0.71474 -0.77650 -0.26621  0.57111  0.01671 -0.91474 -0.40369
@2viewid {heme closeup}
@2zoom 2.25
@2zslab 100
@2center 6.566 8.526 -13.842
@2matrix
-.99221 .02354 -.1223 .0206 .99947 .02526 .12282 .02254 -.99217
@3viewid {site closeup}
@3zoom 2.74 
@3zslab 150 
@3center 9.087 8.651 -13.833 
@3matrix 
-.94972 .08968 -.29997 .29712 .56024 -.7732 .09870 -.82346 -.55872
@4viewid {pocket}
@4zoom 2.11
@4zslab 150
@4center 8.128 7.371 -15.022
@4matrix 
-.88319 .45277 -.1223 .45328 .89101 .02526 .1204 -.03313 -.99217
@5viewid {interface}
@5zoom 2.0
@5zslab 210
@5center  -1.215 6.912 -11.206 
@5matrix
-.991711 .016797 -.127384 .004153 .99509 .098882 .128419 .097534 -.986912 
@6viewid {sub in tetr}
@6zoom 0.67
@6zslab 210
@6center 0,0, -4.
@6matrix  -1.0 0.0 0.0   0.0 1.0 0.0   0.0 0.0 -1.0

@group {deoxy alpha1} animate dominant
@subgroup {main ch}
@balllist {mcn} color= blue radius= .2 master= {highlights} off
{n val a 1} 6.452 16.459 4.843
@balllist {mco} color= red radius= .2 master= {highlights} off
{o val a 93} 0.273 4.89 -11.7
{o tyr a 140}  -6.488 10.649 -12.132
{o arg a 141}  -7.112 13.967 -8.853
{oxt arg a 141} -9.233 14.024 -9.296
@vectorlist {ca-ca} color= bluetint
{ca val a 1}P 7.06 17.792 4.76
{ca leu a 2}10.785 18.159 4.237
{ca ser a 3}12.492 19.934 7.127
{ca pro a 4}15.511 22.192 6.331
{ca ala a 5}17.676 19.403 7.724
{ca asp a 6}16.059 16.945 5.311
{ca lys a 7}16.809 19.277 2.425
{ca thr a 8}20.41 19.643 3.508
{ca asn a 9}20.715 15.845 3.737
{ca val a 10}19.208 15.283 0.296
{ca lys a 11}21.393 17.926 -1.357
{ca ala a 12}24.474 16.497 0.269
{ca ala a 13}23.747 12.921 -0.738
{ca trp a 14}22.645 13.719 -4.242
{ca gly a 15}25.65 15.995 -4.59
{ca lys a 16}27.926 12.981 -4.
{ca val a 17}25.899 11.07 -6.587
{ca gly a 18}26.822 13.8 -9.05
{ca ala a 19}27.749 12.396 -12.429
{ca his a 20}26.775 8.793 -11.715
{ca ala a 21}23.135 9.749 -11.417
{ca gly a 22}22.226 8.131 -14.747
{ca glu a 23}24.091 4.921 -13.981
{ca tyr a 24}22.375 4.686 -10.602
{ca gly a 25}19.009 5.348 -12.224
{ca ala a 26}19.466 2.37 -14.535
{ca glu a 27}20.608 0.151 -11.695
{ca ala a 28}17.549 1.057 -9.635
{ca leu a 29}15.308 0.145 -12.566
{ca glu a 30}17.005 -3.199 -13.017
{ca arg a 31}16.68 -3.889 -9.304
{ca met a 32}12.978 -3.07 -9.533
{ca phe a 33}12.322 -5.344 -12.527
{ca leu a 34}14.025 -8.281 -10.823
{ca ser a 35}12.66 -7.82 -7.301
{ca phe a 36}9.137 -6.759 -8.291
{ca pro a 37}8.342 -8.369 -11.658
{ca thr a 38}4.849 -6.856 -11.722
{ca thr a 39}6.476 -3.521 -12.607
{ca lys a 40}7.553 -4.934 -15.967
{ca thr a 41}3.927 -4.747 -17.127
{ca tyr a 42}4.518 -1.055 -17.836
{ca phe a 43}7.479 -1.702 -20.098
{ca pro a 44}6.334 -4.397 -22.635
{ca his a 45}7.962 -2.357 -25.415
{ca phe a 46}11.432 -2.435 -23.847
{ca asp a 47}14.29 -4.839 -24.019
{ca leu a 48}14.678 -5.353 -20.284
{ca ser a 49}17.773 -7.517 -20.525
{ca his a 50}20.777 -6.497 -18.516
{ca gly a 51}22.63 -3.57 -19.979
{ca ser a 52}19.977 -2.649 -22.471
{ca ala a 53}20.311 0.826 -23.967
{ca gln a 54}16.593 1.4 -23.402
{ca val a 55}16.91 0.869 -19.673
{ca lys a 56}20.094 2.915 -19.437
{ca gly a 57}18.423 5.705 -21.382
{ca his a 58}15.363 5.641 -19.208
{ca gly a 59}17.493 5.51 -16.061
{ca lys a 60}19.172 8.703 -17.119
{ca lys a 61}15.838 10.427 -17.638
{ca val a 62}14.611 9.36 -14.22
{ca ala a 63}17.821 10.532 -12.625
{ca asp a 64}17.728 13.918 -14.356
{ca ala a 65}14.184 14.472 -13.123
{ca leu a 66}15.3 13.708 -9.573
{ca thr a 67}18.227 16.077 -10.02
{ca asn a 68}15.703 18.709 -11.11
{ca ala a 69}13.613 17.966 -8.031
{ca val a 70}16.577 18.335 -5.662
{ca ala a 71}17.455 21.68 -7.26
{ca his a 72}13.887 22.876 -6.723
{ca val a 73}13.047 21.103 -3.544
{ca asp a 74}11.131 24.179 -2.275
{ca asp a 75}8.993 24.209 -5.411
{ca met a 76}8.636 20.6 -6.568
{ca pro a 77}4.938 20.764 -7.783
{ca asn a 78}5.955 23.366 -10.347
{ca ala a 79}9.243 21.84 -11.303
{ca leu a 80}7.705 18.422 -11.994
{ca ser a 81}4.416 19.724 -13.447
{ca ala a 82}4.959 18.276 -16.925
{ca leu a 83}5.964 14.919 -15.461
{ca ser a 84}2.869 14.72 -13.246
{ca asp a 85}0.713 15.445 -16.288
{ca leu a 86}2.515 12.731 -18.208
{ca his a 87}2.094 10.06 -15.577
{ca ala a 88}-1.478 11.037 -14.766
{ca his a 89}-2.929 11.277 -18.255
{ca lys a 90}-0.735 9.142 -20.422
{ca leu a 91}1.384 6.528 -18.674
{ca arg a 92}-1.119 5.987 -15.826
{ca val a 93}1.148 3.881 -13.67
{c val a 93}0.432 3.841 -12.322
{o val a 93}0.273 4.89 -11.7
{c val a 93}P 0.432 3.841 -12.322 {n asp a 94}0.01 2.671 -11.881
{ca asp a 94}-0.654 2.617 -10.574
{ca pro a 95}0.556 4.665 -7.552
{ca val a 96}1.726 1.549 -5.661
{ca asn a 97}4.639 1.154 -8.075
{ca phe a 98}6.198 4.46 -7.011
{ca lys a 99}6.97 2.914 -3.654
{ca leu a 100}8.699 0.027 -5.281
{ca leu a 101}10.965 2.199 -7.388
{ca ser a 102}11.65 4.449 -4.389
{ca his a 103}12.814 1.47 -2.37
{ca cys a 104}15.097 0.286 -5.174
{ca leu a 105}16.567 3.758 -5.55
{ca leu a 106}17.285 3.775 -1.814
{ca val a 107}18.979 0.366 -2.091
{ca thr a 108}21.061 1.595 -5.018
{ca leu a 109}22.19 4.656 -3.075
{ca ala a 110}23.011 2.496 -0.044
{ca ala a 111}25.155 0.207 -2.171
{ca his a 112}27.15 3.085 -3.625
{ca leu a 113}27.409 5.616 -0.83
{ca pro a 114}28.861 3.639 2.11
{ca ala a 115}29.932 6.735 4.025
{ca glu a 116}26.954 9.054 3.194
{ca phe a 117}24.068 6.712 3.876
{ca thr a 118}23.71 7.392 7.595
{ca pro a 119}20.419 6.648 9.455
{ca ala a 120}19.477 10.327 9.297
{ca val a 121}20.262 10.609 5.592
{ca his a 122}18.365 7.388 4.908
{ca ala a 123}15.346 8.891 6.637
{ca ser a 124}15.621 12.141 4.687
{ca leu a 125}16.003 10.345 1.363
{ca asp a 126}12.985 8.125 1.989
{ca lys a 127}10.972 11.202 2.834
{ca phe a 128}12.173 12.96 -0.255
{ca leu a 129}11.281 10.065 -2.562
{ca ala a 130}7.844 9.886 -0.977
{ca ser a 131}7.347 13.584 -1.7
{ca val a 132}8.414 13.161 -5.311
{ca ser a 133}6.011 10.219 -5.591
{ca thr a 134}3.197 12.314 -4.12
{ca val a 135}3.793 15.101 -6.623
{ca leu a 136}3.962 12.711 -9.576
{ca thr a 137}0.611 11.148 -8.601
{ca ser a 138}-1.049 14.479 -7.722
{ca lys a 139} -3.183 14.822 -10.789
{ca tyr a 140} -4.347 11.247 -11.236 {c tyr a 140}-5.879 11.292 -11.271
{o tyr a 140}-6.488 10.649 -12.132
{c tyr a 140}P -5.879 11.292 -11.271 {n arg a 141}-6.466 12.036 -10.348
{ca arg a 141}-7.922 12.248 -10.253
@vectorlist {mc special} color= bluetint master= {highlights} off
{n val a 1}P 6.452 16.459 4.843 {ca val a 1}7.06 17.792 4.76
{ca arg a 141}P -7.922 12.248 -10.253
{c arg a 141}-8.119 13.499 -9.393
{o arg a 141}-7.112 13.967 -8.853
{c arg a 141}P -8.119 13.499 -9.393 {oxt arg a 141}-9.233 14.024 -9.296
@subgroup {side ch}
@balllist {scn} color= blue radius= .2 master= {highlights} off
{nd1 his a 58} 12.368 5.999 -18.737
{ne2 his a 58} 11.389 5.031 -16.939
{nd1 his a 87} 5.305 10.607 -14.916
{ne2 his a 87} 6.439 8.625 -14.829
{ne arg a 141} -8.517 9.076 -6.403
{nh1 arg a 141} -10.15 7.487 -6.019
{nh2 arg a 141} -8.725 8.129 -4.343
@balllist {sco} color= red radius= .2 master= {highlights} off
{oh tyr a 140} 0.862 7.482 -12.331
@vectorlist {sc special} color= cyan master= {highlights} off
{ca his a 58}P 15.363 5.641 -19.208 {cb his a 58}14.38 4.48 -19.147
{cg his a 58}13.111 4.881 -18.371
{nd1 his a 58}12.368 5.999 -18.737
{ce1 his a 58}11.302 6.088 -17.847
{ne2 his a 58}11.389 5.031 -16.939
{cg his a 58}P 13.111 4.881 -18.371 {cd2 his a 58}12.525 4.28 -17.272
{ne2 his a 58}11.389 5.031 -16.939
{ca his a 87}P 2.094 10.06 -15.577 {cb his a 87}2.901 9.904 -14.286
{cg his a 87}4.396 9.609 -14.554
{nd1 his a 87}5.305 10.607 -14.916
{ce1 his a 87}6.56 10.005 -15.087
{ne2 his a 87}6.439 8.625 -14.829
{cg his a 87}P 4.396 9.609 -14.554 {cd2 his a 87}5.077 8.397 -14.496
{ne2 his a 87}6.439 8.625 -14.829
{ca val a 93}P 1.148 3.881 -13.67 {cb val a 93}2.607 4.267 -13.453
{cg1 val a 93}3.301 3.335 -12.46
{cb val a 93}P 2.607 4.267 -13.453 {cg2 val a 93}3.356 4.34 -14.782
{ca tyr a 140}P -4.347 11.247 -11.236 {cb tyr a 140}-3.868 10.048 -10.417
{cg tyr a 140}-2.578 9.37 -10.93
{cd1 tyr a 140}-2.541 7.996 -11.049
{cg tyr a 140}P -2.578 9.37 -10.93 {cd2 tyr a 140}-1.462 10.111 -11.272
{ce2 tyr a 140}-0.308 9.485 -11.733
{cz tyr a 140}-0.273 8.106 -11.854
{cd1 tyr a 140}P -2.541 7.996 -11.049 {ce1 tyr a 140}-1.396 7.361 -11.509
{cz tyr a 140}-0.273 8.106 -11.854
{oh tyr a 140}0.862 7.482 -12.331
{ca arg a 141}P -7.922 12.248 -10.253 {cb arg a 141}-8.639 11.005 -9.687
{cg arg a 141}-8.153 10.551 -8.308
{cd arg a 141}-8.914 9.319 -7.796
{ne arg a 141}-8.517 9.076 -6.403
{cz arg a 141}-9.142 8.234 -5.593
{nh1 arg a 141}-10.15 7.487 -6.019
{cz arg a 141}P -9.142 8.234 -5.593 {nh2 arg a 141}-8.725 8.129 -4.343
@vectorlist {sc hphob d} color= cyan master= {Hphobics} off
{ca tyr a 42}P 4.518 -1.055 -17.836 {cb tyr a 42}4.728 -0.013 -16.743
{cg tyr a 42}3.563 -0.024 -15.742
{cd1 tyr a 42}2.396 0.652 -16.039
{cg tyr a 42}P 3.563 -0.024 -15.742 {cd2 tyr a 42}3.677 -0.71 -14.55
{cd1 tyr a 42}P 2.396 0.652 -16.039 {ce1 tyr a 42}1.335 0.647 -15.142
{cd2 tyr a 42}P 3.677 -0.71 -14.55 {ce2 tyr a 42}2.625 -0.724 -13.645
{ce1 tyr a 42}P 1.335 0.647 -15.142 {cz tyr a 42}1.45 -0.045 -13.94
{oh tyr a 42}0.403 -0.058 -13.048
{ce2 tyr a 42}P 2.625 -0.724 -13.645 {cz tyr a 42}1.45 -0.045 -13.94
{ca phe a 43}P 7.479 -1.702 -20.098 {cb phe a 43}8.835 -1.62 -19.382
{cg phe a 43}9.002 -0.4 -18.448
{cd1 phe a 43}8.564 -0.454 -17.137
{cg phe a 43}P 9.002 -0.4 -18.448 {cd2 phe a 43}9.586 0.758 -18.921
{cd1 phe a 43}P 8.564 -0.454 -17.137 {ce1 phe a 43}8.714 0.641 -16.292
{cd2 phe a 43}P 9.586 0.758 -18.921 {ce2 phe a 43}9.744 1.861 -18.088
{ce1 phe a 43}P 8.714 0.641 -16.292 {cz phe a 43}9.301 1.804 -16.771
{ce2 phe a 43}P 9.744 1.861 -18.088 {cz phe a 43}9.301 1.804 -16.771
{ca val a 62}P 14.611 9.36 -14.22 {cb val a 62}14.436 7.901 -13.779
{cg1 val a 62}14.222 7.739 -12.272
{cb val a 62}P 14.436 7.901 -13.779 {cg2 val a 62}13.302 7.242 -14.564
{ca ala a 65}P 14.184 14.472 -13.123 {cb ala a 65}12.979 13.574 -13.41
{ca leu a 66}P 15.3 13.708 -9.573 {cb leu a 66}15.823 12.371 -9.039
{cg leu a 66}14.73 11.297 -9.033
{cd1 leu a 66}15.314 9.916 -8.744
{cg leu a 66}P 14.73 11.297 -9.033 {cd2 leu a 66}13.624 11.631 -8.025
{ca leu a 83}P 5.964 14.919 -15.461 {cb leu a 83}7.219 14.741 -14.6
{cg leu a 83}8.247 13.769 -15.193
{cd1 leu a 83}8.301 13.812 -16.723
{cg leu a 83}P 8.247 13.769 -15.193 {cd2 leu a 83}9.626 14.02 -14.582
{ca leu a 86}P 2.515 12.731 -18.208 {cb leu a 86}4.019 12.765 -18.487
{cg leu a 86}4.485 11.624 -19.392
{cd1 leu a 86}3.832 11.685 -20.775
{cg leu a 86}P 4.485 11.624 -19.392 {cd2 leu a 86}6.004 11.629 -19.515
{ca leu a 91}P 1.384 6.528 -18.674 {cb leu a 91}2.685 6.889 -17.969
{cg leu a 91}3.636 7.587 -18.936
{cd1 leu a 91}4.893 8.066 -18.218
{cg leu a 91}P 3.636 7.587 -18.936 {cd2 leu a 91}3.98 6.689 -20.128
{ca phe a 98}P 6.198 4.46 -7.011 {cb phe a 98}5.45 5.782 -6.832
{cg phe a 98}5.051 6.359 -8.202
{cd1 phe a 98}5.878 7.269 -8.829
{cg phe a 98}P 5.051 6.359 -8.202 {cd2 phe a 98}3.875 5.968 -8.813
{cd1 phe a 98}P 5.878 7.269 -8.829 {ce1 phe a 98}5.53 7.798 -10.067
{cd2 phe a 98}P 3.875 5.968 -8.813 {ce2 phe a 98}3.516 6.488 -10.05
{ce1 phe a 98}P 5.53 7.798 -10.067 {cz phe a 98}4.349 7.402 -10.684
{ce2 phe a 98}P 3.516 6.488 -10.05 {cz phe a 98}4.349 7.402 -10.684
{ca leu a 101}P 10.965 2.199 -7.388 {cb leu a 101}10.531 3.101 -8.55
{cg leu a 101}11.713 3.835 -9.2
{cd1 leu a 101}12.792 2.868 -9.696
{cg leu a 101}P 11.713 3.835 -9.2 {cd2 leu a 101}11.245 4.746 -10.335
{ca leu a 136}P 3.962 12.711 -9.576 {cb leu a 136}5.028 11.652 -9.868
{cg leu a 136}6.431 12.213 -10.107
{cd1 leu a 136}7.379 11.076 -10.476
{cg leu a 136}P 6.431 12.213 -10.107 {cd2 leu a 136}6.446 13.283 -11.2
@subgroup {heme} dominant master= {heme}
@balllist {hts} color= yellow radius= .4 master= {heme}
{fe hem a 1}P 8.128 7.371 -15.022
@vectorlist {ht} color= sky 
{cha hem a 1}P 8.617 7.879 -18.361 {c1a hem a 1}9.277 8.77 -17.486
{c2a hem a 1}10.083 9.898 -17.902
{c3a hem a 1}10.565 10.493 -16.781
{cma hem a 1}11.526 11.66 -16.723
{chb hem a 1}P 10.356 10.005 -14.319 {c4a hem a 1}10.077 9.723 -15.665
{c2a hem a 1}P 10.083 9.898 -17.902 {caa hem a 1}10.393 10.337 -19.313
{cba hem a 1}9.365 11.341 -19.815
{cga hem a 1}9.671 11.842 -21.211
{o1a hem a 1}9.887 11.056 -22.136
{cga hem a 1}P 9.671 11.842 -21.211 {o2a hem a 1}9.625 13.056 -21.408
{c1a hem a 1}P 9.277 8.77 -17.486
{n a hem a 1} 9.297 8.665 -16.114 {c4a hem a 1}10.077 9.723 -15.665
{c3a hem a 1} 10.565 10.493 -16.781
{chb hem a 1}P 10.356 10.005 -14.319 {c1b hem a 1}9.946 9.212 -13.233
{c2b hem a 1}10.302 9.447 -11.862
{c3b hem a 1}9.728 8.454 -11.115
{cab hem a 1}9.59 8.396 -9.638
{cbb hem a 1}10.691 8.596 -8.83
{c2b hem a 1}P 10.302 9.447 -11.862 {cmb hem a 1}11.063 10.66 -11.372
{c4b hem a 1}P 9.022 7.603 -12.041
{c1b hem a 1}P 9.946 9.212 -13.233
{n b hem a 1} 9.168 8.079 -13.32 {c4b hem a 1}9.022 7.603 -12.041
{c3b hem a 1} 9.728 8.454 -11.115
{chc hem a 1} 8.307 6.456 -11.669 {c1c hem a 1}7.771 5.509 -12.561
{c2c hem a 1}7.28 4.206 -12.15
{c3c hem a 1}6.89 3.555 -13.29
{cac hem a 1}6.411 2.147 -13.471
{cbc hem a 1}6.761 1.083 -12.643
{c2c hem a 1}P 7.28 4.206 -12.15 {cmc hem a 1}7.147 3.727 -10.723
{c4c hem a 1}P 7.159 4.444 -14.39
{c1c hem a 1}P 7.771 5.509 -12.561
{n c hem a 1} 7.633 5.649 -13.939 {c4c hem a 1}7.159 4.444 -14.39
{c3c hem a 1} 6.89 3.555 -13.29
{chd hem a 1} 6.928 4.145 -15.725 {c1d hem a 1}7.257 4.983 -16.797
{c2d hem a 1}7.067 4.635 -18.184
{c3d hem a 1}7.514 5.673 -18.927
{c4d hem a 1}7.975 6.684 -17.991
{n d hem a 1} 7.783 6.249 -16.697
{c1d hem a 1}7.257 4.983 -16.797
{cha hem a 1}P 8.617 7.879 -18.361 {c4d hem a 1}7.975 6.684 -17.991
{c2d hem a 1}P 7.067 4.635 -18.184 {cmd hem a 1}6.332 3.425 -18.716
{c3d hem a 1}P 7.514 5.673 -18.927 {cad hem a 1}7.618 5.696 -20.432
{cbd hem a 1}8.947 5.143 -20.947
{cgd hem a 1}9.047 5.155 -22.461
{o1d hem a 1}10.139 5.458 -22.959
{cgd hem a 1}P 9.047 5.155 -22.461 {o2d hem a 1}8.096 4.833 -23.177
@group {oxy alpha1} animate dominant
@subgroup {mainchain}
@balllist {mcn} color= blue radius= .2 master= {highlights} off
{n val a 1} 6.552 18.845 7.179
@balllist {mco} color= red radius= .2 master= {highlights} off
{o val a 93} -0.516 4.792 -11.562
{o tyr a 140} -7.068 12.294 -8.695
{o arg a 141} -7.139 13.703 -7.965
{oxt arg a 141} -7.234 14.697 -5.934
@vectorlist {ca-ca} color= pinktint 
{ca val a 1}P 6.519 18.685 5.778
{ca leu a 2}9.816 18.664 3.96
{ca ser a 3}11.814 20.756 6.394
{ca pro a 4}14.727 23.255 6.435
{ca ala a 5}16.992 20.348 7.151
{ca asp a 6}15.634 17.438 5.104
{ca lys a 7}16.085 19.84 2.157
{ca thr a 8}19.737 19.84 3.186
{ca asn a 9}20.364 16.128 3.527
{ca val a 10}19.072 15.686 -0.019
{ca lys a 11}20.766 18.715 -1.567
{ca ala a 12}23.812 16.933 -0.109
{ca ala a 13}23.332 13.234 -0.573
{ca trp a 14}22.576 13.912 -4.214
{ca gly a 15}25.594 16.427 -4.058
{ca lys a 16}27.919 13.452 -3.86
{ca val a 17}26.06 11.001 -6.084
{ca gly a 18}26.664 13.313 -9.016
{ca ala a 19}28.589 12.153 -12.206
{ca his a 20}26.709 8.942 -11.425
{ca ala a 21}23.01 9.801 -11.164
{ca gly a 22}22.545 8.022 -14.49
{ca glu a 23}24.154 4.669 -13.766
{ca tyr a 24}22.122 4.81 -10.55
{ca gly a 25}18.671 5.602 -11.923
{ca ala a 26}19.135 2.599 -14.211
{ca glu a 27}20.486 0.24 -11.56
{ca ala a 28}17.192 0.988 -9.83
{ca leu a 29}14.881 0.222 -12.753
{ca glu a 30}16.776 -3.058 -13.067
{ca arg a 31}16.067 -3.756 -9.397
{ca met a 32}12.366 -2.898 -9.56
{ca phe a 33}11.976 -4.911 -12.77
{ca leu a 34}13.649 -7.915 -11.142
{ca ser a 35}12.077 -7.878 -7.679
{ca phe a 36}8.539 -6.685 -8.302
{ca pro a 37}7.951 -8.334 -11.709
{ca thr a 38}4.519 -6.723 -11.832
{ca thr a 39}5.882 -3.412 -13.089
{ca lys a 40}7.225 -4.955 -16.291
{ca thr a 41}3.684 -4.573 -17.592
{ca tyr a 42}4.554 -0.941 -18.677
{ca phe a 43}7.921 -1.351 -20.491
{ca pro a 44}6.761 -4.009 -22.989
{ca his a 45}8.969 -2.167 -25.422
{ca phe a 46}12.113 -2.553 -23.239
{ca asp a 47}14.789 -5.627 -23.143
{ca leu a 48}14.12 -5.319 -19.395
{ca ser a 49}17.331 -7.181 -19.97
{ca his a 50}20.524 -6.449 -18.024
{ca gly a 51}22.863 -4.52 -20.331
{ca ser a 52}19.754 -3.293 -22.144
{ca ala a 53}20.5 0.154 -23.575
{ca gln a 54}16.894 1.249 -23.145
{ca val a 55}16.907 0.772 -19.378
{ca lys a 56}20.382 2.344 -19.308
{ca gly a 57}18.952 5.161 -21.406
{ca his a 58}15.987 5.655 -19.084
{ca gly a 59}18.062 5.714 -15.885
{ca lys a 60}19.379 8.911 -17.358
{ca lys a 61}15.798 10.178 -17.575
{ca val a 62}14.534 9.146 -14.156
{ca ala a 63}17.763 10.569 -12.819
{ca asp a 64}17.356 13.821 -14.706
{ca ala a 65}13.93 14.375 -13.24
{ca leu a 66}14.993 13.427 -9.72
{ca thr a 67}17.51 16.219 -9.911
{ca asn a 68}15.187 18.955 -11.148
{ca ala a 69}13.153 17.982 -8.121
{ca val a 70}16.167 18.197 -5.803
{ca ala a 71}16.643 21.6 -7.42
{ca his a 72}13.21 23.232 -7.293
{ca val a 73}12.302 21.205 -4.192
{ca asp a 74}10.561 24.14 -2.482
{ca asp a 75}8.081 23.751 -5.314
{ca met a 76}7.851 20.336 -6.93
{ca pro a 77}4.305 20.995 -8.123
{ca asn a 78}5.493 23.282 -10.913
{ca ala a 79}8.626 21.691 -12.122
{ca leu a 80}7.453 18.128 -12.304
{ca ser a 81}4.131 18.874 -13.969
{ca ala a 82}4.387 17.118 -17.406
{ca leu a 83}5.759 13.977 -15.761
{ca ser a 84}2.686 14.292 -13.564
{ca asp a 85}0.177 14.195 -16.419
{ca leu a 86}2.163 11.721 -18.506
{ca his a 87}2.483 9.298 -15.596
{ca ala a 88}-1.097 9.956 -14.52
{ca his a 89}-3.015 10.988 -17.624
{ca lys a 90}-1.264 9.297 -20.552
{ca leu a 91}0.056 6.13 -18.901
{ca arg a 92}-1.949 5.368 -15.779
{ca val a 93}0.676 3.925 -13.469
{c val a 93}-0.068 3.79 -12.134
{o val a 93}-0.516 4.792 -11.562
{c val a 93}P -0.068 3.79 -12.134 {n asp a 94}-0.179 2.562 -11.67
{ca asp a 94}-0.873 2.316 -10.394
{ca pro a 95}0.456 4.603 -7.676
{ca val a 96}1.653 1.732 -5.502
{ca asn a 97}4.392 1.552 -8.125
{ca phe a 98}6.01 4.797 -6.975
{ca lys a 99}6.371 3.34 -3.498
{ca leu a 100}8.502 0.584 -5.002
{ca leu a 101}10.866 2.448 -7.323
{ca ser a 102}11.074 4.815 -4.38
{ca his a 103}12.466 1.847 -2.474
{ca cys a 104}14.848 0.396 -5.042
{ca leu a 105}16.191 3.921 -5.477
{ca leu a 106}17.129 3.892 -1.791
{ca val a 107}18.53 0.361 -1.894
{ca thr a 108}20.75 2.015 -4.456
{ca leu a 109}21.889 5.215 -2.728
{ca ala a 110}22.539 2.701 0.05
{ca ala a 111}24.683 0.294 -1.971
{ca his a 112}26.86 2.893 -3.688
{ca leu a 113}26.931 5.308 -0.766
{ca pro a 114}27.685 4.122 2.765
{ca ala a 115}29.088 6.93 4.913
{ca glu a 116}26.744 9.654 3.728
{ca phe a 117}23.837 7.22 4.052
{ca thr a 118}23.335 7.757 7.787
{ca pro a 119}19.964 7.037 9.364
{ca ala a 120}18.852 10.673 9.433
{ca val a 121}19.632 10.867 5.731
{ca his a 122}17.902 7.565 5.035
{ca ala a 123}14.849 9.368 6.377
{ca ser a 124}15.196 12.557 4.337
{ca leu a 125}15.772 10.725 1.048
{ca asp a 126}12.636 8.768 1.908
{ca lys a 127}10.759 11.953 2.776
{ca phe a 128}12.035 13.461 -0.458
{ca leu a 129}10.741 10.657 -2.671
{ca ala a 130}7.454 10.275 -0.846
{ca ser a 131}6.988 13.829 -2.123
{ca val a 132}8.016 13.17 -5.711
{ca ser a 133}5.392 10.424 -5.865
{ca thr a 134}2.693 12.54 -4.242
{ca val a 135}3.367 15.172 -6.993
{ca leu a 136}3.534 12.318 -9.559
{ca thr a 137}0.183 11.001 -8.475
{ca ser a 138}-1.91 14.193 -8.164
{ca lys a 139}-4.125 14.595 -11.222
{ca tyr a 140} -4.998 11.346 -9.497 {c tyr a 140}-5.915 11.93 -8.423
{o tyr a 140}-7.068 12.294 -8.695
{c tyr a 140}P -5.915 11.93 -8.423 {n arg a 141}-5.382 12.009 -7.214
{ca arg a 141}-6.161 12.538 -6.088
@vectorlist {mc special} color= pinktint master= {highlights} off
{n val a 1}P 6.552 18.845 7.179 {ca val a 1}6.519 18.685 5.778
{ca arg a 141}P -6.161 12.538 -6.088
{c arg a 141}-6.893 13.703 -6.744
{o arg a 141}-7.139 13.703 -7.965
{c arg a 141}P -6.893 13.703 -6.744 {oxt arg a 141}-7.234 14.697 -5.934
@subgroup {sidechain}
@balllist {scn} color= blue radius= .2 master= {highlights} off
{nd1 his a 58} 13.013 5.91 -20.26
{ne2 his a 58} 11.448 6.021 -18.812
{nd1 his a 87} 5.731 9.996 -15.13
{ne2 his a 87} 6.773 8.209 -14.582
{ne arg a 141} -1.73 12.34 -3.987
{nh1 arg a 141} -3.027 10.807 -2.775
{nh2 arg a 141} -0.733 10.814 -2.582
@balllist {sco} color= red radius= .2 master= {highlights} off
{oh tyr a 140} -2.102 6.783 -13.081
@vectorlist {sc special} color= pink master= {highlights} off
{ca his a 58}P 15.987 5.655 -19.084 {cb his a 58}14.849 4.664 -19.032
{cg his a 58}13.468 5.269 -19.122
{nd1 his a 58}13.013 5.91 -20.26
{ce1 his a 58}11.8 6.361 -20.026
{ne2 his a 58}11.448 6.021 -18.812
{cg his a 58}P 13.468 5.269 -19.122 {cd2 his a 58}12.469 5.364 -18.208
{ne2 his a 58}11.448 6.021 -18.812
{ca his a 87}P 2.483 9.298 -15.596 {cb his a 87}3.36 9.535 -14.378
{cg his a 87}4.811 9.156 -14.54
{nd1 his a 87}5.731 9.996 -15.13
{ce1 his a 87}6.907 9.382 -15.151
{ne2 his a 87}6.773 8.209 -14.582
{cg his a 87}P 4.811 9.156 -14.54 {cd2 his a 87}5.485 8.016 -14.207
{ne2 his a 87}6.773 8.209 -14.582
{ca val a 93}P 0.676 3.925 -13.469 {cb val a 93}2.089 4.502 -13.351
{cg1 val a 93}2.975 3.865 -12.25
{cb val a 93}P 2.089 4.502 -13.351 {cg2 val a 93}2.779 4.581 -14.677
{ca tyr a 140}P -4.998 11.346 -9.497 {cb tyr a 140}-3.969 10.311 -9.009
{cg tyr a 140}-3.505 9.334 -10.099
{cd1 tyr a 140}-2.197 8.815 -10.006
{ce1 tyr a 140}-1.736 7.896 -11.042
{cz tyr a 140}-2.54 7.634 -12.088
{oh tyr a 140}-2.102 6.783 -13.081
{cg tyr a 140}P -3.505 9.334 -10.099 {cd2 tyr a 140}-4.292 9.036 -11.182
{ce2 tyr a 140}-3.848 8.141 -12.2
{cz tyr a 140}-2.54 7.634 -12.088
{ca arg a 141}P -6.161 12.538 -6.088 {cb arg a 141}-5.241 12.968 -4.925
{cg arg a 141}-4.084 11.989 -4.63
{cd arg a 141}-2.76 12.635 -5.001
{ne arg a 141}-1.73 12.34 -3.987
{cz arg a 141}-1.833 11.315 -3.104
{nh1 arg a 141}-3.027 10.807 -2.775
{cz arg a 141}P -1.833 11.315 -3.104 {nh2 arg a 141}-0.733 10.814 -2.582
@vectorlist {sc hphob o} color= pink master= {Hphobics} off
{ca tyr a 42}P 4.554 -0.941 -18.677 {cb tyr a 42}4.746 0.103 -17.631
{cg tyr a 42}3.651 0.073 -16.557
{cd1 tyr a 42}2.595 0.996 -16.668
{ce1 tyr a 42}1.55 0.986 -15.649
{cz tyr a 42}1.678 0.156 -14.596
{oh tyr a 42}0.704 0.167 -13.613
{cg tyr a 42}P 3.651 0.073 -16.557 {cd2 tyr a 42}3.729 -0.759 -15.472
{ce2 tyr a 42}2.714 -0.772 -14.464
{cz tyr a 42}1.678 0.156 -14.596
{ca phe a 43}P 7.921 -1.351 -20.491 {cb phe a 43}9.125 -1.156 -19.664
{cg phe a 43}9.083 0.041 -18.748
{cd1 phe a 43}8.527 -0.091 -17.521
{ce1 phe a 43}8.467 1.007 -16.603
{cz phe a 43}9.02 2.195 -16.958
{cg phe a 43}P 9.083 0.041 -18.748 {cd2 phe a 43}9.667 1.238 -19.096
{ce2 phe a 43}9.637 2.317 -18.146
{cz phe a 43}9.02 2.195 -16.958
{ca val a 62}P 14.534 9.146 -14.156 {cb val a 62}14.419 7.73 -13.669
{cg1 val a 62}14.309 7.543 -12.13
{cb val a 62}P 14.419 7.73 -13.669 {cg2 val a 62}13.337 6.99 -14.415
{ca ala a 65}P 13.93 14.375 -13.24 {cb ala a 65}12.694 13.605 -13.664
{ca leu a 66}P 14.993 13.427 -9.72 {cb leu a 66}15.731 12.179 -9.326
{cg leu a 66}14.96 10.878 -9.271
{cd1 leu a 66}15.846 9.791 -8.71
{cg leu a 66}P 14.96 10.878 -9.271 {cd2 leu a 66}13.722 11.023 -8.424
{ca leu a 83}P 5.759 13.977 -15.761 {cb leu a 83}7.163 13.993 -15.121
{cg leu a 83}8.361 13.735 -16.013
{cd1 leu a 83}7.974 12.771 -17.102
{cg leu a 83}P 8.361 13.735 -16.013 {cd2 leu a 83}8.855 15.028 -16.621
{ca leu a 86}P 2.163 11.721 -18.506 {cb leu a 86}3.63 11.913 -18.948
{cg leu a 86}4.406 10.683 -19.364
{cd1 leu a 86}3.699 10.007 -20.516
{cg leu a 86}P 4.406 10.683 -19.364 {cd2 leu a 86}5.818 11.054 -19.776
{ca leu a 91}P 0.056 6.13 -18.901 {cb leu a 91}1.537 6.061 -18.496
{cg leu a 91}2.551 6.788 -19.369
{cd1 leu a 91}3.738 7.168 -18.533
{cg leu a 91}P 2.551 6.788 -19.369 {cd2 leu a 91}2.981 5.908 -20.519
{ca phe a 98}P 6.01 4.797 -6.975 {cb phe a 98}5.259 6.109 -6.943
{cg phe a 98}4.786 6.595 -8.284
{cd1 phe a 98}5.631 7.305 -9.067
{ce1 phe a 98}5.247 7.77 -10.358
{cz phe a 98}4.017 7.478 -10.84
{cg phe a 98}P 4.786 6.595 -8.284 {cd2 phe a 98}3.542 6.271 -8.782
{ce2 phe a 98}3.187 6.711 -10.101
{cz phe a 98}4.017 7.478 -10.84
{ca leu a 101}P 10.866 2.448 -7.323 {cb leu a 101}10.397 3.218 -8.567
{cg leu a 101}11.423 4.051 -9.311
{cd1 leu a 101}12.611 3.194 -9.657
{cg leu a 101}P 11.423 4.051 -9.311 {cd2 leu a 101}10.818 4.617 -10.576
{ca leu a 136}P 3.534 12.318 -9.559 {cb leu a 136}4.533 11.215 -9.555
{cg leu a 136}5.977 11.578 -9.846
{cd1 leu a 136}6.732 10.338 -10.28
{cg leu a 136}P 5.977 11.578 -9.846 {cd2 leu a 136}6.057 12.632 -10.923
@subgroup {heme}
@balllist {hto} color= red radius= .2 master= {CO}
{o co} 10.769 5.075 -14.842
@balllist {htc} color= green radius= .2 master= {CO}
{c co} 9.82 5.952 -14.931
@balllist {hts} color= yellow radius= .4 master= {heme}
{fe hem a 1}P 8.496 7.176 -15.048
@vectorlist {ht} color= pink master= {heme}
{cha hem a 1}P 8.74 7.828 -18.391 {c1a hem a 1}9.316 8.731 -17.524
{c2a hem a 1}10.011 9.953 -17.93
{c3a hem a 1}10.431 10.554 -16.819
{cma hem a 1}11.205 11.859 -16.754
{c2a hem a 1}P 10.011 9.953 -17.93 {caa hem a 1}10.219 10.451 -19.338
{cba hem a 1}10.055 11.983 -19.385
{cga hem a 1}9.746 12.426 -20.818
{o1a hem a 1}10.103 11.678 -21.749
{cga hem a 1}P 9.746 12.426 -20.818 {o2a hem a 1}9.141 13.5 -20.984
{c4a hem a 1}P 10.019 9.734 -15.686
{chb hem a 1} 10.26 10.02 -14.369 {c1b hem a 1}9.871 9.251 -13.294
{c2b hem a 1}10.136 9.555 -11.9
{c3b hem a 1}9.6 8.574 -11.166
{cab hem a 1}9.637 8.484 -9.655
{cbb hem a 1}10.784 8.663 -8.995
{c2b hem a 1}P 10.136 9.555 -11.9 {cmb hem a 1}10.877 10.76 -11.357
{c4b hem a 1}P 8.989 7.627 -12.077
{chc hem a 1} 8.329 6.478 -11.712 {c1c hem a 1}7.753 5.576 -12.569
{c2c hem a 1}7.059 4.363 -12.175
{c3c hem a 1}6.639 3.762 -13.286
{cac hem a 1}5.865 2.458 -13.341
{cbc hem a 1}5.328 2.043 -14.49
{c2c hem a 1}P 7.059 4.363 -12.175 {cmc hem a 1}6.85 3.855 -10.765
{c4c hem a 1}P 7.05 4.573 -14.407
{chd hem a 1} 6.81 4.296 -15.735 {c1d hem a 1}7.199 5.065 -16.81
{c2d hem a 1}6.933 4.751 -18.204
{c3d hem a 1}7.469 5.733 -18.937
{cad hem a 1}7.432 5.822 -20.448
{cbd hem a 1}8.403 4.825 -20.991
{cgd hem a 1}8.43 4.969 -22.511
{o1d hem a 1}7.493 4.645 -23.161
{cgd hem a 1}P 8.43 4.969 -22.511 {o2d hem a 1}9.412 5.425 -23.067
{cha hem a 1}P 8.74 7.828 -18.391 {c4d hem a 1}8.081 6.68 -18.016
{c2d hem a 1}P 6.933 4.751 -18.204 {cmd hem a 1}6.192 3.547 -18.746
{c1a hem a 1}P 9.316 8.731 -17.524
{n a hem a 1} 9.338 8.625 -16.152 {c4a hem a 1}10.019 9.734 -15.686
{c3a hem a 1} 10.431 10.554 -16.819
{c1b hem a 1}P 9.871 9.251 -13.294
{n b hem a 1} 9.165 8.059 -13.386 {c4b hem a 1}8.989 7.627 -12.077
{c3b hem a 1} 9.6 8.574 -11.166
{c1c hem a 1}P 7.753 5.576 -12.569
{n c hem a 1} 7.732 5.691 -13.953 {c4c hem a 1}7.05 4.573 -14.407
{c3c hem a 1} 6.639 3.762 -13.286
{c1d hem a 1}P 7.199 5.065 -16.81
{n d hem a 1} 7.904 6.247 -16.718 {c4d hem a 1}8.081 6.68 -18.016
{c3d hem a 1} 7.469 5.733 -18.937
@vectorlist {co} color= pink master= {CO}
{c co}P 9.82 5.952 -14.931 {o co}10.769 5.075 -14.842
@group {helix labels} dominant 
@labellist {labels} color= white 
{A} 23.977 20.375 0.21
{B} 19.081, -2.132, -12.956 
{C} 2.989, -6.946, -11.718 
{ D} 6.334 -4.397 -22.635
{E} 19.32 12.568 -12.665
{F} 0.282 17.362 -16.226
{G} 12.061 -0.033 -2.53
{H} 13.978 12.842 4.73
{FG} -2.732 5.72 -15.815
@group off {axes} dominant
@vectorlist {axes} color=sea
{-X} P -5 0 0 
{center} 0 0 0
{+X} 20 0 0
{+X} 30 0 0
{-Y} P 0 -5 0 
{center} 0 0 0
{+Y} 0 20 0
{-Z} P 0 0 -20 
{center} 0 0 0
{+Z} 0 0 5
@labellist {axes} color=sea
{-X} -5 0 0
{+X} 30 0 0
{-Y} 0 -5 0
{+Y} 0 20 0
{-Z} 0 0 -20
{+Z} 0 0 5

@kinemage 3
@caption
The Alpha1-Beta2 contact, emphasizing the "ratchet" in View2 and the "hinge" in View3.
@viewid {A1-B2 shift}
@zoom 1.15
@zslab 200
@center 0.0 0.0 -1.0
@matrix 
 1.0 0.0 0.0  0.0 1.0 0.0  0.0 0.0 1.0
@2viewid {ratchet}
@2zoom 3.05 
@2zslab 200 
@2center 5.442 -6.098 -16.480 
@2matrix
-0.250473 0.724209 0.642483 0.427747 0.678133 -0.597636 -0.868502 0.125127 -0.479632 
@3viewid {hinge}
@3zoom 3.6
@3center  -2.5   3.6   -17.6
@3matrix 
-.498577 .82006 0.280930 0.679242 0.570940 -0.461148 -0.538563 -0.039098 -0.841678

@group off {axes} dominant
@vectorlist {axes} color=sea
{center} P 0 0 0 0 0 0
P -30 0 0 0 0 0
30 0 0
P 0 -30 0 0 -20 0
0 0 0
0 20 0
0 30 0
P 0 0 -30 0 0 0
0 0 30
@group dominant {deoxy T} animate
@labellist {deox} color= gray  master= {labels}
{  A1 C}  4.85 -6.85 -11.72
{  B2 FG}  .255, -6.6 -19.36
{  A1 FG}  -1.119, 5.987, -15.83
{  B2 C}  -8.76 3.38 -18.35
@subgroup {alpha1}
@vectorlist {ca-ca} color= bluetint master= {ca-ca}
{ca val a1 1}P 7.06 17.792 4.76 {ca leu a1 2}10.785 18.159 4.237
{ca ser a1 3}12.492 19.934 7.127
{ca pro a1 4}15.511 22.192 6.331
{ca ala a1 5}17.676 19.403 7.724
{ca asp a1 6}16.059 16.945 5.311
{ca lys a1 7}16.809 19.277 2.425
{ca thr a1 8}20.41 19.643 3.508
{ca asn a1 9}20.715 15.845 3.737
{ca val a1 10}19.208 15.283 0.296
{ca lys a1 11}21.393 17.926 -1.357
{ca ala a1 12}24.474 16.497 0.269
{ca ala a1 13}23.747 12.921 -0.738
{ca trp a1 14}22.645 13.719 -4.242
{ca gly a1 15}25.65 15.995 -4.59
{ca lys a1 16}27.926 12.981 -4.
{ca val a1 17}25.899 11.07 -6.587
{ca gly a1 18}26.822 13.8 -9.05
{ca ala a1 19}27.749 12.396 -12.429
{ca his a1 20}26.775 8.793 -11.715
{ca ala a1 21}23.135 9.749 -11.417
{ca gly a1 22}22.226 8.131 -14.747
{ca glu a1 23}24.091 4.921 -13.981
{ca tyr a1 24}22.375 4.686 -10.602
{ca gly a1 25}19.009 5.348 -12.224
{ca ala a1 26}19.466 2.37 -14.535
{ca glu a1 27}20.608 0.151 -11.695
{ca ala a1 28}17.549 1.057 -9.635
{ca leu a1 29}15.308 0.145 -12.566
{ca glu a1 30}17.005 -3.199 -13.017
{ca arg a1 31}16.68 -3.889 -9.304
{ca met a1 32}12.978 -3.07 -9.533
{ca phe a1 33}12.322 -5.344 -12.527
{ca leu a1 34}14.025 -8.281 -10.823
{ca ser a1 35}12.66 -7.82 -7.301
{ca phe a1 36}9.137 -6.759 -8.291
{ca pro a1 37}8.342 -8.369 -11.658
{ca thr a1 38}4.849 -6.856 -11.722
{ca thr a1 39}6.476 -3.521 -12.607
{ca lys a1 40}7.553 -4.934 -15.967
{ca thr a1 41}3.927 -4.747 -17.127
{ca tyr a1 42}4.518 -1.055 -17.836
{ca phe a1 43}7.479 -1.702 -20.098
{ca pro a1 44}6.334 -4.397 -22.635
{ca his a1 45}7.962 -2.357 -25.415
{ca phe a1 46}11.432 -2.435 -23.847
{ca asp a1 47}14.29 -4.839 -24.019
{ca leu a1 48}14.678 -5.353 -20.284
{ca ser a1 49}17.773 -7.517 -20.525
{ca his a1 50}20.777 -6.497 -18.516
{ca gly a1 51}22.63 -3.57 -19.979
{ca ser a1 52}19.977 -2.649 -22.471
{ca ala a1 53}20.311 0.826 -23.967
{ca gln a1 54}16.593 1.4 -23.402
{ca val a1 55}16.91 0.869 -19.673
{ca lys a1 56}20.094 2.915 -19.437
{ca gly a1 57}18.423 5.705 -21.382
{ca his a1 58}15.363 5.641 -19.208
{ca gly a1 59}17.493 5.51 -16.061
{ca lys a1 60}19.172 8.703 -17.119
{ca lys a1 61}15.838 10.427 -17.638
{ca val a1 62}14.611 9.36 -14.22
{ca ala a1 63}17.821 10.532 -12.625
{ca asp a1 64}17.728 13.918 -14.356
{ca ala a1 65}14.184 14.472 -13.123
{ca leu a1 66}15.3 13.708 -9.573
{ca thr a1 67}18.227 16.077 -10.02
{ca asn a1 68}15.703 18.709 -11.11
{ca ala a1 69}13.613 17.966 -8.031
{ca val a1 70}16.577 18.335 -5.662
{ca ala a1 71}17.455 21.68 -7.26
{ca his a1 72}13.887 22.876 -6.723
{ca val a1 73}13.047 21.103 -3.544
{ca asp a1 74}11.131 24.179 -2.275
{ca asp a1 75}8.993 24.209 -5.411
{ca met a1 76}8.636 20.6 -6.568
{ca pro a1 77}4.938 20.764 -7.783
{ca asn a1 78}5.955 23.366 -10.347
{ca ala a1 79}9.243 21.84 -11.303
{ca leu a1 80}7.705 18.422 -11.994
{ca ser a1 81}4.416 19.724 -13.447
{ca ala a1 82}4.959 18.276 -16.925
{ca leu a1 83}5.964 14.919 -15.461
{ca ser a1 84}2.869 14.72 -13.246
{ca asp a1 85}0.713 15.445 -16.288
{ca leu a1 86}2.515 12.731 -18.208
{ca his a1 87}2.094 10.06 -15.577
{ca ala a1 88}-1.478 11.037 -14.766
{ca his a1 89}-2.929 11.277 -18.255
{ca lys a1 90}-0.735 9.142 -20.422
{ca leu a1 91}1.384 6.528 -18.674
{ca arg a1 92}-1.119 5.987 -15.826
{ca val a1 93}1.148 3.881 -13.67
{ca asp a1 94}-0.654 2.617 -10.574
{ca pro a1 95}0.556 4.665 -7.552
{ca val a1 96}1.726 1.549 -5.661
{ca asn a1 97}4.639 1.154 -8.075
{ca phe a1 98}6.198 4.46 -7.011
{ca lys a1 99}6.97 2.914 -3.654
{ca leu a1 100}8.699 0.027 -5.281
{ca leu a1 101}10.965 2.199 -7.388
{ca ser a1 102}11.65 4.449 -4.389
{ca his a1 103}12.814 1.47 -2.37
{ca cys a1 104}15.097 0.286 -5.174
{ca leu a1 105}16.567 3.758 -5.55
{ca leu a1 106}17.285 3.775 -1.814
{ca val a1 107}18.979 0.366 -2.091
{ca thr a1 108}21.061 1.595 -5.018
{ca leu a1 109}22.19 4.656 -3.075
{ca ala a1 110}23.011 2.496 -0.044
{ca ala a1 111}25.155 0.207 -2.171
{ca his a1 112}27.15 3.085 -3.625
{ca leu a1 113}27.409 5.616 -0.83
{ca pro a1 114}28.861 3.639 2.11
{ca ala a1 115}29.932 6.735 4.025
{ca glu a1 116}26.954 9.054 3.194
{ca phe a1 117}24.068 6.712 3.876
{ca thr a1 118}23.71 7.392 7.595
{ca pro a1 119}20.419 6.648 9.455
{ca ala a1 120}19.477 10.327 9.297
{ca val a1 121}20.262 10.609 5.592
{ca his a1 122}18.365 7.388 4.908
{ca ala a1 123}15.346 8.891 6.637
{ca ser a1 124}15.621 12.141 4.687
{ca leu a1 125}16.003 10.345 1.363
{ca asp a1 126}12.985 8.125 1.989
{ca lys a1 127}10.972 11.202 2.834
{ca phe a1 128}12.173 12.96 -0.255
{ca leu a1 129}11.281 10.065 -2.562
{ca ala a1 130}7.844 9.886 -0.977
{ca ser a1 131}7.347 13.584 -1.7
{ca val a1 132}8.414 13.161 -5.311
{ca ser a1 133}6.011 10.219 -5.591
{ca thr a1 134}3.197 12.314 -4.12
{ca val a1 135}3.793 15.101 -6.623
{ca leu a1 136}3.962 12.711 -9.576
{ca thr a1 137}0.611 11.148 -8.601
{ca ser a1 138}-1.049 14.479 -7.722
{ca lys a1 139}-3.183 14.822 -10.789
{ca tyr a1 140}-4.347 11.247 -11.236
{ca arg a1 141}-7.922 12.248 -10.253
@vectorlist {sc} color= cyan master= {side ch}
{ca thr a 38}P 4.849 -6.856 -11.722 {cb thr a 38}3.912 -6.758 -10.515
{og1 thr a 38}4.341 -5.713 -9.652
{cb thr a 38}P 3.912 -6.758 -10.515 {cg2 thr a 38}3.887 -8.079 -9.739
{ca thr a 41}P 3.927 -4.747 -17.127 {cb thr a 41}2.663 -5.035 -16.307
{og1 thr a 41}2.548 -4.073 -15.269
{cb thr a 41}P 2.663 -5.035 -16.307 {cg2 thr a 41}2.642 -6.442 -15.704
{ca pro a 44}P 6.334 -4.397 -22.635 {cb pro a 44}4.848 -4.655 -22.902
{cg pro a 44}4.191 -3.293 -22.739
{cd pro a 44}5.017 -2.623 -21.649
{n pro a 44}P 6.37 -3.232 -21.729 {cd pro a 44}5.017 -2.623 -21.649
{ca arg a 92}P -1.119 5.987 -15.826 {cb arg a 92}-2.406 5.625 -16.535
{cg arg a 92}-3.142 6.832 -17.09
{cd arg a 92}-3.67 6.381 -18.436
{ne arg a 92}-4.909 7.037 -18.819
{cz arg a 92}-5.261 6.841 -20.066
{nh1 arg a 92}-4.381 6.294 -20.895
{cz arg a 92}P -5.261 6.841 -20.066 {nh2 arg a 92}-6.445 7.228 -20.498
@balllist {scn} color= blue radius= .2 master= {side ch}
{ne arg a 92} -4.909 7.037 -18.819
{nh1 arg a 92} -4.381 6.294 -20.895
{nh2 arg a 92} -6.445 7.228 -20.498
@balllist {sco} color= red radius= .2master= {side ch}
{og1 thr a 38} 4.341 -5.713 -9.652
{og1 thr a 41} 2.548 -4.073 -15.269
@subgroup {beta2} 
@vectorlist {ca-ca} color=cyan master= {ca-ca}
{ca val b2 1}P -8.824 -20.084 0.109 {ca his b2 2}-10.108 -21.007 3.495
{ca leu b2 3}-13.682 -20.145 4.31
{ca thr b2 4}-15.613 -21.547 7.228
{ca pro b2 5}-18.796 -23.341 6.018
{ca glu b2 6}-20.82 -20.435 7.34
{ca glu b2 7}-18.733 -18.011 5.295
{ca lys b2 8}-19.064 -20.224 2.247
{ca ser b2 9}-22.809 -20.449 2.556
{ca ala b2 10}-23.001 -16.672 3.076
{ca val b2 11}-21.113 -16.026 -0.163
{ca thr b2 12}-23.105 -18.604 -2.109
{ca ala b2 13}-26.507 -17.393 -0.911
{ca leu b2 14}-25.927 -13.742 -1.781
{ca trp b2 15}-24.451 -14.599 -5.149
{ca gly b2 16}-27.575 -16.521 -6.176
{ca lys b2 17}-29.326 -13.149 -6.186
{ca val b2 18}-26.788 -11.342 -8.339
{ca asn b2 19}-27.551 -10.365 -11.936
{ca val b2 20}-24.039 -11.026 -13.171
{ca asp b2 21}-24.414 -8.911 -16.321
{ca glu b2 22}-25.702 -5.864 -14.432
{ca val b2 23}-23.299 -6.042 -11.49
{ca gly b2 24}-20.426 -6.705 -13.881
{ca gly b2 25}-21.122 -3.586 -15.931
{ca glu b2 26}-21.483 -1.564 -12.802
{ca ala b2 27}-18.307 -2.753 -11.131
{ca leu b2 28}-16.13 -2.273 -14.194
{ca gly b2 29}-17.665 1.129 -14.885
{ca arg b2 30}-17.096 2.329 -11.356
{ca leu b2 31}-13.522 1.025 -11.48
{ca leu b2 32}-12.932 3.224 -14.511
{ca val b2 33}-14.593 6.225 -12.852
{ca val b2 34}-13.164 6.097 -9.345
{ca tyr b2 35}-9.663 5.049 -10.45
{ca pro b2 36}-9.364 6.633 -13.921
{ca trp b2 37}-5.822 5.428 -14.548
{ca thr b2 38}-7.332 1.96 -15.089
{ca gln b2 39}-8.758 3.377 -18.351
{ca arg b2 40}-5.276 2.785 -19.732
{ca phe b2 41}-6.278 -0.702 -20.975
{ca phe b2 42}-9.455 0.334 -22.689
{ca glu b2 43}-8.932 3.134 -25.167
{ca ser b2 44}-10.265 0.862 -27.873
{ca phe b2 45}-13.598 1.224 -26.037
{ca gly b2 46}-14.735 4.665 -27.135
{ca asp b2 47}-15.912 7.548 -24.984
{ca leu b2 48}-14.763 7.317 -21.354
{ca ser b2 49}-14.607 11.072 -20.714
{ca thr b2 50}-17.41 11.475 -18.145
{ca pro b2 51}-19.005 9.173 -15.513
{ca asp b2 52}-22.188 8.998 -17.594
{ca ala b2 53}-20.246 8.104 -20.728
{ca val b2 54}-18.39 5.334 -18.898
{ca met b2 55}-21.451 3.846 -17.222
{ca gly b2 56}-23.45 3.868 -20.457
{ca asn b2 57}-20.633 2.58 -22.681
{ca pro b2 58}-21.724 -0.755 -24.202
{ca lys b2 59}-18.165 -2.088 -24.473
{ca val b2 60}-17.611 -1.43 -20.804
{ca lys b2 61}-20.822 -3.296 -20.028
{ca ala b2 62}-19.846 -6.189 -22.28
{ca his b2 63}-16.42 -6.537 -20.769
{ca gly b2 64}-17.792 -6.197 -17.252
{ca lys b2 65}-20.056 -9.108 -17.979
{ca lys b2 66}-17.179 -11.218 -19.279
{ca val b2 67}-15.05 -10.501 -16.216
{ca leu b2 68}-17.771 -11.168 -13.639
{ca gly b2 69}-18.808 -14.341 -15.477
{ca ala b2 70}-15.315 -15.741 -15.029
{ca phe b2 71}-15.426 -14.537 -11.449
{ca ser b2 72}-18.742 -16.383 -11.
{ca asp b2 73}-17.298 -19.592 -12.295
{ca gly b2 74}-14.464 -19.237 -9.749
{ca leu b2 75}-16.974 -19.165 -6.88
{ca ala b2 76}-17.66 -22.767 -7.764
{ca his b2 77}-13.997 -23.657 -7.129
{ca leu b2 78}-13.179 -21.701 -3.988
{ca asp b2 79}-11.017 -24.677 -2.915
{ca asn b2 80}-8.612 -24.146 -5.785
{ca leu b2 81}-8.696 -20.656 -7.215
{ca lys b2 82}-5.112 -20.888 -8.417
{ca gly b2 83}-5.767 -23.9 -10.588
{ca thr b2 84}-8.988 -22.343 -11.882
{ca phe b2 85}-7.358 -19.062 -12.871
{ca ala b2 86}-3.887 -20.227 -13.98
{ca thr b2 87}-4.526 -19.742 -17.702
{ca leu b2 88}-6.147 -16.349 -17.23
{ca ser b2 89}-3.255 -15.36 -14.952
{ca glu b2 90}-0.78 -16.132 -17.703
{ca leu b2 91}-2.868 -14.291 -20.248
{ca his b2 92}-3.123 -11.14 -18.161
{ca cys b2 93}0.628 -11.135 -17.629
{ca asp b2 94}2.099 -12.21 -20.976
{ca lys b2 95}-0.415 -10.791 -23.382
{ca leu b2 96}-2.46 -8.096 -21.668
{ca his b2 97}0.255 -6.603 -19.362
{ca val b2 98}-2.21 -5.778 -16.599
{ca asp b2 99}-0.605 -4.722 -13.296
{ca pro b2 100}-2.201 -7.128 -10.763
{ca glu b2 101}-2.885 -4.153 -8.465
{ca asn b2 102}-5.881 -3.603 -10.772
{ca phe b2 103}-7.388 -6.887 -9.547
{ca arg b2 104}-7.32 -5.599 -5.985
{ca leu b2 105}-8.95 -2.319 -6.97
{ca leu b2 106}-11.7 -4.18 -8.802
{ca gly b2 107}-12.24 -6.455 -5.8
{ca asn b2 108}-12.838 -3.471 -3.551
{ca val b2 109}-15.135 -1.759 -6.032
{ca leu b2 110}-17.088 -5.01 -6.358
{ca val b2 111}-17.578 -5.052 -2.593
{ca cys b2 112}-18.883 -1.471 -2.731
{ca val b2 113}-21.265 -2.448 -5.512
{ca leu b2 114}-22.604 -5.423 -3.582
{ca ala b2 115}-23.11 -3.176 -0.564
{ca his b2 116}-24.936 -0.605 -2.659
{ca his b2 117}-27.067 -3.267 -4.218
{ca phe b2 118}-28.017 -5.313 -1.208
{ca gly b2 119}-28.072 -2.628 1.48
{ca lys b2 120}-28.503 -3.953 5.017
{ca glu b2 121}-28.352 -7.563 3.788
{ca phe b2 122}-24.676 -7.016 3.149
{ca thr b2 123}-23.779 -7.32 6.816
{ca pro b2 124}-20.257 -6.944 8.289
{ca pro b2 125}-19.771 -10.821 8.443
{ca val b2 126}-20.9 -11.164 4.824
{ca gln b2 127}-18.541 -8.39 3.768
{ca ala b2 128}-15.708 -10.131 5.621
{ca ala b2 129}-16.371 -13.327 3.687
{ca tyr b2 130}-16.446 -11.496 0.374
{ca gln b2 131}-13.216 -9.693 1.202
{ca lys b2 132}-11.493 -13.02 1.595
{ca val b2 133}-12.895 -14.188 -1.718
{ca val b2 134}-11.872 -11.127 -3.711
{ca ala b2 135}-8.393 -11.187 -2.178
{ca gly b2 136}-8.189 -14.868 -3.08
{ca val b2 137}-9.214 -14.229 -6.672
{ca ala b2 138}-6.762 -11.321 -7.037
{ca asn b2 139}-4.094 -13.605 -5.676
{ca ala b2 140}-4.951 -16.393 -8.008
{ca leu b2 141}-4.875 -14.066 -10.991
{ca ala b2 142}-1.476 -12.686 -9.994
{ca his b2 143}0.085 -16.044 -9.3
{ca lys b2 144}1.667 -16.718 -12.668
{ca tyr b2 145}3.231 -13.27 -13.18
{ca his b2 146}6.973 -13.067 -13.956
@vectorlist {B2 sc} color= cyan master= {side ch}
{ca trp b 37}P -5.822 5.428 -14.548 {cb trp b 37}-4.629 5.565 -13.599
{cg trp b 37}-4.721 4.868 -12.22
{cd1 trp b 37}-4.327 3.571 -11.903
{ne1 trp b 37}-4.58 3.311 -10.545
{ce2 trp b 37}-5.143 4.457 -10.019
{cg trp b 37}P -4.721 4.868 -12.22 {cd2 trp b 37}-5.243 5.427 -11.04
{ce2 trp b 37}-5.143 4.457 -10.019
{cz2 trp b 37}-5.538 4.682 -8.713
{ch2 trp b 37}-6.095 5.937 -8.465
{cd2 trp b 37}P -5.243 5.427 -11.04 {ce3 trp b 37}-5.783 6.68 -10.784
{cz3 trp b 37}-6.18 6.916 -9.459
{ch2 trp b 37}-6.095 5.937 -8.465
{ca arg b 40}P -5.276 2.785 -19.732 {cb arg b 40}-4.173 2.722 -18.673
{cg arg b 40}-3.319 1.473 -18.644
{cd arg b 40}-2.403 1.504 -17.417
{ne arg b 40}-1.127 2.061 -17.845
{cz arg b 40}-.3 1.276 -18.512
{nh1 arg b 40}-.519 -0.032 -18.589
{cz arg b 40}P -.3 1.276 -18.512 {nh2 arg b 40}.783 1.787 -19.059
{ca his b 97}P .255 -6.603 -19.362 {cb his b 97}.993 -5.635 -20.285
{cg his b 97}1.624 -6.366 -21.488
{nd1 his b 97}2.607 -7.347 -21.328
{ce1 his b 97}2.957 -7.804 -22.603
{ne2 his b 97}2.184 -7.102 -23.539
{cg his b 97}P 1.624 -6.366 -21.488 {cd2 his b 97}1.358 -6.208 -22.838
{ne2 his b 97}2.184 -7.102 -23.539
{ca asp b 99}P -.605 -4.722 -13.296 {cb asp b 99}-.389 -3.247 -12.944
{cg asp b 99}.235 -2.999 -11.568
{od1 asp b 99}.561 -1.837 -11.304
{cg asp b 99}P .235 -2.999 -11.568 {od2 asp b 99}.404 -3.93 -10.775
@balllist {B2 scN} color= blue radius= .2 master= {side ch}
{ne1 trp b 37} {U} -4.58 3.311 -10.545
{ne arg b 40} {U} -1.127 2.061 -17.845
{nh1 arg b 40}  {U} -.519 -.032 -18.589
{nh2 arg b 40} {U} .783 1.787 -19.059
{nd1 his b 97} {U} 2.607 -7.347 -21.328
{ne2 his b 97} {U} 2.184 -7.102 -23.539
@balllist {B2 scO} color= red 
{od1 asp b 99} {U} 0.561 -1.837 -11.304
{od2 asp b 99} {U} 0.404 -3.93 -10.775
@group dominant {oxy R} animate
@labellist {lbl ox} color=gray master= {labels}
{  B2 C} -7.4 1.7 -17.9
{  A1 FG} -1.1 6.1 -16.
{  A1 C} 6.1 -5.9 -13.3
{  B2 FG} 1.3 -8. -15.2
@subgroup {alpha1} 
@vectorlist {ca-ca} color=pinktint master= {ca-ca}
{ca val a1 1}P 5.66 17.22 7.28 {ca leu a1 2}9. 17.66 5.6
{ca ser a1 3}10.76 19.58 8.34
{ca pro a1 4}13.47 22.26 8.79
{ca ala a1 5}15.93 19.46 9.24
{ca asp a1 6}14.86 16.73 6.81
{ca lys a1 7}15.21 19.5 4.19
{ca thr a1 8}18.82 19.64 5.35
{ca asn a1 9}19.72 15.97 5.27
{ca val a1 10}18.57 15.87 1.65
{ca lys a1 11}20.07 19.18 0.54
{ca ala a1 12}23.2 17.46 1.89
{ca ala a1 13}23.02 13.82 0.97
{ca trp a1 14}22.32 14.88 -2.59
{ca gly a1 15}25.13 17.57 -2.02
{ca lys a1 16}27.67 14.77 -2.09
{ca val a1 17}26.07 12.48 -4.66
{ca gly a1 18}26.58 15.17 -7.27
{ca ala a1 19}28.68 14.55 -10.5
{ca his a1 20}27.03 11.14 -10.18
{ca ala a1 21}23.27 11.69 -9.96
{ca gly a1 22}23.04 10.3 -13.49
{ca glu a1 23}24.88 7.01 -13.11
{ca tyr a1 24}22.75 6.61 -9.98
{ca gly a1 25}19.29 7.31 -11.38
{ca ala a1 26}20.05 4.65 -13.99
{ca glu a1 27}21.5 2.09 -11.59
{ca ala a1 28}18.11 2.38 -9.91
{ca leu a1 29}15.95 1.81 -12.99
{ca glu a1 30}18.1 -1.26 -13.62
{ca arg a1 31}17.34 -2.45 -10.09
{ca met a1 32}13.59 -1.85 -10.29
{ca phe a1 33}13.45 -3.48 -13.73
{ca leu a1 34}15.3 -6.53 -12.41
{ca ser a1 35}13.63 -7.03 -9.03
{ca phe a1 36}10.03 -6.03 -9.64
{ca pro a1 37}9.67 -7.29 -13.24
{ca thr a1 38}6.13 -5.93 -13.3
{ca thr a1 39}7.27 -2.4 -14.1
{ca lys a1 40}8.82 -3.44 -17.41
{ca thr a1 41}5.3 -3.16 -18.79
{ca tyr a1 42}5.92 0.63 -19.4
{ca phe a1 43}9.36 0.69 -21.12
{ca pro a1 44}8.48 -1.72 -23.96
{ca his a1 45}10.61 0.56 -26.07
{ca phe a1 46}13.71 0.14 -23.83
{ca asp a1 47}16.61 -2.72 -24.
{ca leu a1 48}15.81 -2.92 -20.27
{ca ser a1 49}19.17 -4.46 -20.94
{ca his a1 50}22.24 -3.74 -18.8
{ca gly a1 51}24.49 -1.38 -20.77
{ca ser a1 52}21.35 -0.17 -22.54
{ca ala a1 53}21.87 3.47 -23.52
{ca gln a1 54}18.18 4.24 -23.1
{ca val a1 55}18.12 3.31 -19.42
{ca lys a1 56}21.46 5.11 -19.03
{ca gly a1 57}19.88 8.05 -20.83
{ca his a1 58}16.82 8.04 -18.58
{ca gly a1 59}18.79 7.86 -15.32
{ca lys a1 60}19.9 11.3 -16.35
{ca lys a1 61}16.24 12.32 -16.55
{ca val a1 62}14.96 10.79 -13.33
{ca ala a1 63}18.03 12.27 -11.71
{ca asp a1 64}17.43 15.69 -13.21
{ca ala a1 65}13.93 15.81 -11.82
{ca leu a1 66}14.96 14.52 -8.4
{ca thr a1 67}17.26 17.49 -8.16
{ca asn a1 68}14.77 20.18 -9.15
{ca ala a1 69}12.73 18.7 -6.34
{ca val a1 70}15.65 18.85 -3.9
{ca ala a1 71}15.91 22.45 -5.08
{ca his a1 72}12.36 23.8 -4.89
{ca val a1 73}11.52 21.35 -2.09
{ca asp a1 74}9.51 23.92 -0.11
{ca asp a1 75}7.15 23.7 -3.06
{ca met a1 76}7.23 20.5 -5.08
{ca pro a1 77}3.68 21.04 -6.32
{ca asn a1 78}4.77 23.73 -8.77
{ca ala a1 79}8.05 22.53 -10.04
{ca leu a1 80}7.16 18.94 -10.69
{ca ser a1 81}3.84 19.64 -12.38
{ca ala a1 82}4.33 18.34 -15.99
{ca leu a1 83}5.89 15.13 -14.68
{ca ser a1 84}2.74 14.95 -12.58
{ca asp a1 85}0.33 15.02 -15.52
{ca leu a1 86}2.56 12.97 -17.81
{ca his a1 87}2.98 10.24 -15.2
{ca ala a1 88}-0.67 10.5 -14.19
{ca his a1 89}-2.57 11.76 -17.22
{ca lys a1 90}-0.61 10.57 -20.26
{ca leu a1 91}0.9 7.33 -18.95
{ca arg a1 92}-1.13 6.05 -16.02
{ca val a1 93}1.53 4.53 -13.8
{ca asp a1 94}0.02 2.45 -11.
{ca pro a1 95}1.09 4.48 -7.98
{ca val a1 96}2.44 1.46 -6.12
{ca asn a1 97}5.26 1.8 -8.64
{ca phe a1 98}6.59 4.99 -7.05
{ca lys a1 99}6.96 3.15 -3.76
{ca leu a1 100}9.34 0.76 -5.5
{ca leu a1 101}11.62 3.06 -7.49
{ca ser a1 102}11.56 5.06 -4.28
{ca his a1 103}13.12 1.99 -2.69
{ca cys a1 104}15.68 1.04 -5.32
{ca leu a1 105}16.76 4.68 -5.28
{ca leu a1 106}17.59 4.27 -1.59
{ca val a1 107}19.26 0.89 -2.06
{ca thr a1 108}21.42 3. -4.32
{ca leu a1 109}22.26 6.04 -2.18
{ca ala a1 110}23.02 3.26 0.3
{ca ala a1 111}25.4 1.28 -1.91
{ca his a1 112}27.42 4.22 -3.22
{ca leu a1 113}27.22 6.26 -0.03
{ca pro a1 114}27.96 4.71 3.36
{ca ala a1 115}29.08 7.33 5.88
{ca glu a1 116}26.57 10. 4.94
{ca phe a1 117}23.85 7.34 4.86
{ca thr a1 118}23.2 7.38 8.61
{ca pro a1 119}19.85 6.23 9.96
{ca ala a1 120}18.46 9.74 10.42
{ca val a1 121}19.33 10.44 6.8
{ca his a1 122}17.88 7.13 5.65
{ca ala a1 123}14.66 8.53 7.08
{ca ser a1 124}14.82 11.96 5.45
{ca leu a1 125}15.63 10.59 1.99
{ca asp a1 126}12.63 8.32 2.49
{ca lys a1 127}10.49 11.23 3.66
{ca phe a1 128}11.74 13.21 0.68
{ca leu a1 129}10.73 10.61 -1.9
{ca ala a1 130}7.43 9.77 -0.26
{ca ser a1 131}6.73 13.41 -1.12
{ca val a1 132}7.91 13.27 -4.72
{ca ser a1 133}5.51 10.38 -5.3
{ca thr a1 134}2.61 12.08 -3.54
{ca val a1 135}3.16 15.07 -5.93
{ca leu a1 136}3.62 12.57 -8.81
{ca thr a1 137}0.35 10.89 -8.02
{ca ser a1 138}-1.99 13.86 -7.41
{ca lys a1 139}-4.14 14.47 -10.48
{ca tyr a1 140}-4.81 10.98 -9.19
{ca arg a1 141}-6.16 11.66 -5.71
@vectorlist {sc} color= cyan master= {side ch}
{ca thr a 38}P 6.13 -5.93 -13.3 {cb thr a 38}5.15 -6.13 -12.13
{og1 thr a 38}3.86 -6. -12.72
{cb thr a 38}P 5.15 -6.13 -12.13 {cg2 thr a 38}5.34 -5.1 -11.05
{ca thr a 41}P 5.3 -3.16 -18.79 {cb thr a 41}4.07 -3.23 -17.87
{og1 thr a 41}3.58 -4.55 -18.07
{cb thr a 41}P 4.07 -3.23 -17.87 {cg2 thr a 41}3.01 -2.21 -18.21
{ca pro a 44}P 8.48 -1.72 -23.96 {cb pro a 44}7.06 -1.78 -24.41
{cg pro a 44}6.24 -0.96 -23.43
{cd pro a 44}7.22 0.07 -22.88
{n pro a 44} 8.47 -0.67 -22.9
{ca arg a 92}P -1.13 6.05 -16.02 {cb arg a 92}-2.34 5.31 -16.63
{cg arg a 92}-3.22 6.17 -17.55
{cd arg a 92}-4.42 6.7 -16.78
{ne arg a 92}-5.5 7.08 -17.7
{cz arg a 92}-5.92 6.3 -18.72
{nh1 arg a 92}-5.05 5.52 -19.39
{cz arg a 92}P -5.92 6.3 -18.72 {nh2 arg a 92}-7.19 6.31 -19.05
@balllist {scn} color= blue radius= .2 master= {side ch}
{ne arg a 92} -5.5 7.08 -17.7
{nh1 arg a 92} -5.05 5.52 -19.39
{nh2 arg a 92} -7.19 6.31 -19.05
@balllist {sco} color= red radius= .2 master= {side ch}
{og1 thr a 38} 3.86 -6. -12.72
{og1 thr a 41} 3.58 -4.55 -18.07
@subgroup {beta2} 
@vectorlist {ca-ca} color=pink master= {ca-ca}
{ca val b2 1}P -10.31 -19.76 3.68 {ca his b2 2}-12.3 -20.98 6.68
{ca leu b2 3}-15.62 -19.14 6.67
{ca thr b2 4}-17.27 -20.31 9.88
{ca pro b2 5}-20.41 -22.35 9.24
{ca glu b2 6}-22.03 -19.03 10.08
{ca glu b2 7}-20.13 -16.69 7.77
{ca lys b2 8}-20.42 -19.31 5.03
{ca ser b2 9}-24.16 -18.67 5.08
{ca ala b2 10}-24.63 -14.91 5.1
{ca val b2 11}-22.3 -15.11 2.09
{ca thr b2 12}-23.9 -17.96 0.17
{ca ala b2 13}-27.21 -16.19 0.76
{ca leu b2 14}-26.68 -12.69 -0.61
{ca trp b2 15}-25.14 -14.12 -3.78
{ca gly b2 16}-28.01 -15.88 -5.55
{ca lys b2 17}-29.95 -12.72 -4.81
{ca val b2 18}-27.15 -11.47 -7.03
{ca asn b2 19}-27.83 -10.35 -10.6
{ca val b2 20}-24.38 -11.33 -11.85
{ca asp b2 21}-24.6 -10.03 -15.42
{ca glu b2 22}-25.18 -6.51 -14.15
{ca val b2 23}-23.05 -6.47 -11.01
{ca gly b2 24}-20.14 -8.18 -12.74
{ca gly b2 25}-19.94 -4.77 -14.4
{ca glu b2 26}-21.04 -1.96 -12.12
{ca ala b2 27}-17.79 -3.23 -10.62
{ca leu b2 28}-15.27 -3.26 -13.46
{ca gly b2 29}-17.05 -0.06 -14.46
{ca arg b2 30}-16.31 1.58 -11.12
{ca leu b2 31}-12.72 0.37 -11.03
{ca leu b2 32}-11.56 2.16 -14.18
{ca val b2 33}-13.34 5.29 -12.94
{ca val b2 34}-12.14 5.35 -9.35
{ca tyr b2 35}-8.75 3.8 -10.07
{ca pro b2 36}-7.62 4.9 -13.53
{ca trp b2 37}-4.24 3.28 -14.13
{ca thr b2 38}-6.32 0.13 -14.57
{ca gln b2 39}-7.38 1.69 -17.87
{ca arg b2 40}-3.92 1.05 -19.29
{ca phe b2 41}-5.05 -2.58 -19.59
{ca phe b2 42}-8.37 -2.2 -21.39
{ca glu b2 43}-7.51 -0.03 -24.4
{ca ser b2 44}-8.33 -3.14 -26.44
{ca phe b2 45}-11.51 -1.44 -25.28
{ca gly b2 46}-13.39 1.75 -26.21
{ca asp b2 47}-14. 5.3 -24.99
{ca leu b2 48}-13.18 5.08 -21.28
{ca ser b2 49}-12.89 8.86 -20.67
{ca thr b2 50}-15.92 10.27 -18.86
{ca pro b2 51}-17.69 7.93 -16.39
{ca asp b2 52}-20.86 7.47 -18.42
{ca ala b2 53}-19.02 5.93 -21.37
{ca val b2 54}-17.63 3.11 -19.28
{ca met b2 55}-20.69 2.02 -17.3
{ca gly b2 56}-22.34 1.58 -20.7
{ca asn b2 57}-19.46 -0.05 -22.57
{ca pro b2 58}-21.24 -3.15 -23.71
{ca lys b2 59}-17.6 -4.16 -23.59
{ca val b2 60}-17.06 -3.41 -19.89
{ca lys b2 61}-20.43 -4.97 -19.13
{ca ala b2 62}-19.34 -8.09 -20.98
{ca his b2 63}-15.95 -8.8 -19.41
{ca gly b2 64}-17.49 -8.16 -15.99
{ca lys b2 65}-19.84 -11.08 -16.44
{ca lys b2 66}-16.77 -13.29 -16.9
{ca val b2 67}-15.64 -11.95 -13.57
{ca leu b2 68}-18.56 -12.26 -11.17
{ca gly b2 69}-17.81 -15.39 -13.19
{ca ala b2 70}-14.9 -16.54 -11.11
{ca phe b2 71}-15.91 -15.1 -7.69
{ca ser b2 72}-18.64 -17.66 -8.3
{ca asp b2 73}-16.17 -20.48 -8.93
{ca gly b2 74}-14.65 -19.21 -5.68
{ca leu b2 75}-17.59 -18.19 -3.47
{ca ala b2 76}-17.75 -21.98 -3.34
{ca his b2 77}-14.64 -23.97 -4.12
{ca leu b2 78}-13.4 -21.97 -1.12
{ca asp b2 79}-11.26 -24.97 -0.48
{ca asn b2 80}-8.26 -24.41 -2.74
{ca leu b2 81}-9.39 -20.86 -3.61
{ca lys b2 82}-5.81 -21.6 -4.66
{ca gly b2 83}-6.35 -24.01 -7.57
{ca thr b2 84}-9.61 -22.85 -9.13
{ca phe b2 85}-7.27 -20. -10.04
{ca ala b2 86}-3.89 -21.25 -11.24
{ca thr b2 87}-4.58 -20.43 -14.89
{ca leu b2 88}-5.99 -16.93 -14.41
{ca ser b2 89}-3.13 -16.03 -12.09
{ca glu b2 90}-0.76 -17.43 -14.69
{ca leu b2 91}-2.86 -15.12 -16.84
{ca his b2 92}-3.02 -12.01 -14.71
{ca cys b2 93}0.54 -12.31 -13.42
{ca asp b2 94}3.08 -13.39 -15.97
{ca lys b2 95}0.98 -12.34 -18.95
{ca leu b2 96}-0.43 -8.87 -18.29
{ca his b2 97}1.64 -8.24 -15.17
{ca val b2 98}-1.12 -6.63 -13.12
{ca asp b2 99}0.5 -5.73 -9.81
{ca pro b2 100}-1.2 -7.69 -7.03
{ca glu b2 101}-2.84 -4.86 -5.09
{ca asn b2 102}-5.06 -3.99 -8.04
{ca phe b2 103}-6.41 -7.39 -7.01
{ca arg b2 104}-7.56 -5.92 -3.73
{ca leu b2 105}-8.93 -2.69 -5.15
{ca leu b2 106}-11.21 -4.87 -7.26
{ca gly b2 107}-12.71 -7.16 -4.63
{ca asn b2 108}-12.78 -4.03 -2.47
{ca val b2 109}-14.95 -2.07 -4.9
{ca leu b2 110}-16.93 -5.23 -5.57
{ca val b2 111}-17.94 -4.96 -1.92
{ca cys b2 112}-18.86 -1.29 -2.27
{ca val b2 113}-21.16 -2.62 -4.98
{ca leu b2 114}-22.54 -5.56 -3.02
{ca ala b2 115}-23.37 -2.92 -0.42
{ca his b2 116}-24.75 -0.33 -2.82
{ca his b2 117}-27.25 -2.91 -4.05
{ca phe b2 118}-28.47 -4.68 -0.92
{ca gly b2 119}-28.44 -1.68 1.4
{ca lys b2 120}-29.25 -2.41 5.03
{ca glu b2 121}-28.93 -6.17 4.7
{ca phe b2 122}-25.19 -6. 4.12
{ca thr b2 123}-25.02 -5.81 7.92
{ca pro b2 124}-21.37 -5.61 8.96
{ca pro b2 125}-20.74 -9.16 10.16
{ca val b2 126}-22.02 -9.82 6.65
{ca gln b2 127}-19.44 -7.59 4.98
{ca ala b2 128}-16.76 -8.88 7.34
{ca ala b2 129}-17.15 -12.26 5.77
{ca tyr b2 130}-16.77 -10.86 2.25
{ca gln b2 131}-13.53 -9.1 3.03
{ca lys b2 132}-12.41 -12.64 3.82
{ca val b2 133}-13.5 -14.37 0.63
{ca val b2 134}-12.18 -11.43 -1.35
{ca ala b2 135}-8.83 -11.18 0.45
{ca gly b2 136}-8.84 -14.9 -0.31
{ca val b2 137}-9.6 -14.69 -4.05
{ca ala b2 138}-6.84 -12.1 -4.1
{ca asn b2 139}-4.14 -14.1 -2.34
{ca ala b2 140}-5.02 -16.77 -4.95
{ca leu b2 141}-4.56 -14.92 -8.27
{ca ala b2 142}-1.44 -13.41 -6.92
{ca his b2 143}0.21 -16.82 -6.1
{ca lys b2 144}2.76 -16.71 -8.93
{ca tyr b2 145}4.74 -13.64 -7.88
{ca his b2 146}6.51 -16.26 -5.78
@vectorlist {sc} color= cyan master= {side ch}
{ca trp b 37}P -4.24 3.28 -14.13 {cb trp b 37}-3.18 3.09 -13.05
{cg trp b 37}-3.67 2.51 -11.67
{cd1 trp b 37}-3.79 1.23 -11.29
{ne1 trp b 37}-4.3 1.18 -9.93
{ce2 trp b 37}-4.39 2.38 -9.5
{cg trp b 37}P -3.67 2.51 -11.67 {cd2 trp b 37}-4.02 3.27 -10.55
{ce2 trp b 37}-4.39 2.38 -9.5
{cz2 trp b 37}-4.79 2.77 -8.22
{ch2 trp b 37}-4.8 4.12 -8.03
{cd2 trp b 37}P -4.02 3.27 -10.55 {ce3 trp b 37}-4.06 4.63 -10.33
{cz3 trp b 37}-4.49 5.01 -9.04
{ch2 trp b 37}-4.8 4.12 -8.03
{ca arg b 40}P -3.92 1.05 -19.29 {cb arg b 40}-2.61 1. -18.5
{cg arg b 40}-1.38 0.55 -19.31
{cd arg b 40}-0.12 0.77 -18.5
{ne arg b 40}1.04 0.14 -19.14
{cz arg b 40}1.16 0.01 -20.48
{nh1 arg b 40}0.26 -0.68 -21.19
{cz arg b 40}P 1.16 0.01 -20.48 {nh2 arg b 40}2.19 0.58 -21.09
{ca his b 97}P 1.64 -8.24 -15.17 {cb his b 97}2.9 -7.61 -15.76
{cg his b 97}3.53 -8.38 -16.89
{nd1 his b 97}4.42 -9.41 -16.68
{ce1 his b 97}4.82 -9.88 -17.85
{ne2 his b 97}4.21 -9.21 -18.79
{cg his b 97}P 3.53 -8.38 -16.89 {cd2 his b 97}3.41 -8.25 -18.24
{ne2 his b 97}4.21 -9.21 -18.79
{ca asp b 99}P 0.5 -5.73 -9.81 {cb asp b 99}1.03 -4.32 -9.47
{cg asp b 99}1.55 -4.25 -8.06
{od1 asp b 99}2.73 -4.31 -7.76
{cg asp b 99}P 1.55 -4.25 -8.06 {od2 asp b 99}0.73 -4.07 -7.21
@balllist {scn} color= blue radius= .2 master= {side ch}
{ne1 trp b 37} -4.3 1.18 -9.93
{ne arg b 40} 1.04 0.14 -19.14
{nh1 arg b 40} 0.26 -0.68 -21.19
{nh2 arg b 40} 2.19 0.58 -21.09
{nd1 his b 97} 4.42 -9.41 -16.68
{ne2 his b 97} 4.21 -9.21 -18.79
@balllist {sco} color= red radius= .2 master= {side ch}
{od1 asp b 99} 2.73 -4.31 -7.76
{od2 asp b 99} 0.73 -4.07 -7.21

@kinemage 4 
@caption 
The Alpha1 - Alpha 2 salt bridges stabilize the deoxy form.  View1 is an overview down the 2-fold.  View2 is a closeup to see the making and breaking of the interactions (animate to see the changes).
@onewidth
@zoom 1.0
@zslab 130
@center 0.0 12.92 0.0
@matrix  1.0  0.0  0.0     0.0  0.0  1.0     0.0  -1.0  0.0
@2viewid {closeup}
@2zoom 3.5
@2center  8.119   13.499   9.393
@2zslab 230
@2matrix
.878319 -.232816 .417556 -.002119 .871505 .490382 -.478071 -.431596 .764966

@group {deoxy} animate dominant
@subgroup {alpha 1} dominant master= {alpha1}
@vectorlist <to insure alpha1 next to alpha2 button>{dummy} master= {alpha2} 
@balllist {mcn} color= blue radius= .2
{n val a 1} 6.452 16.459 4.843
{n arg a 141} -6.466 12.036 -10.348
@balllist {mco} color= red radius= .2
{o val a 1} 8.992 17.182 6.072
{o tyr a 140} -6.488 10.649 -12.132
{o arg a 141} -7.112 13.967 -8.853
{oxt arg a 141} -9.233 14.024 -9.296
@vectorlist {mc} color= bluetint 
{n val a 1}P 6.452 16.459 4.843
{ca val a 1}7.06 17.792 4.76
{c val a 1}8.561 17.703 5.038
{o val a 1}8.992 17.182 6.072
{ca tyr a 140}P -4.347 11.247 -11.236 {c tyr a 140}-5.879 11.292 -11.271
{o tyr a 140}-6.488 10.649 -12.132
{c tyr a 140}P -5.879 11.292 -11.271 {n arg a 141}-6.466 12.036 -10.348
{ca arg a 141}-7.922 12.248 -10.253
{c arg a 141}-8.119 13.499 -9.393
{o arg a 141}-7.112 13.967 -8.853
{c arg a 141}P -8.119 13.499 -9.393 {oxt arg a 141}-9.233 14.024 -9.296
@vectorlist {ca} color= bluetint 
{c val a 1}P 8.561 17.703 5.038 {ca leu a 2}10.785 18.159 4.237
{ca ser a 3}12.492 19.934 7.127
{ca pro a 4}15.511 22.192 6.331
{ca ala a 5}17.676 19.403 7.724
{ca asp a 6}16.059 16.945 5.311
{ca lys a 7}16.809 19.277 2.425
{ca thr a 8}20.41 19.643 3.508
{ca asn a 9}20.715 15.845 3.737
{ca val a 10}19.208 15.283 0.296
{ca lys a 11}21.393 17.926 -1.357
{ca ala a 12}24.474 16.497 0.269
{ca ala a 13}23.747 12.921 -0.738
{ca trp a 14}22.645 13.719 -4.242
{ca gly a 15}25.65 15.995 -4.59
{ca lys a 16}27.926 12.981 -4.
{ca val a 17}25.899 11.07 -6.587
{ca gly a 18}26.822 13.8 -9.05
{ca ala a 19}27.749 12.396 -12.429
{ca his a 20}26.775 8.793 -11.715
{ca ala a 21}23.135 9.749 -11.417
{ca gly a 22}22.226 8.131 -14.747
{ca glu a 23}24.091 4.921 -13.981
{ca tyr a 24}22.375 4.686 -10.602
{ca gly a 25}19.009 5.348 -12.224
{ca ala a 26}19.466 2.37 -14.535
{ca glu a 27}20.608 0.151 -11.695
{ca ala a 28}17.549 1.057 -9.635
{ca leu a 29}15.308 0.145 -12.566
{ca glu a 30}17.005 -3.199 -13.017
{ca arg a 31}16.68 -3.889 -9.304
{ca met a 32}12.978 -3.07 -9.533
{ca phe a 33}12.322 -5.344 -12.527
{ca leu a 34}14.025 -8.281 -10.823
{ca ser a 35}12.66 -7.82 -7.301
{ca phe a 36}9.137 -6.759 -8.291
{ca pro a 37}8.342 -8.369 -11.658
{ca thr a 38}4.849 -6.856 -11.722
{ca thr a 39}6.476 -3.521 -12.607
{ca lys a 40}7.553 -4.934 -15.967
{ca thr a 41}3.927 -4.747 -17.127
{ca tyr a 42}4.518 -1.055 -17.836
{ca phe a 43}7.479 -1.702 -20.098
{ca pro a 44}6.334 -4.397 -22.635
{ca his a 45}7.962 -2.357 -25.415
{ca phe a 46}11.432 -2.435 -23.847
{ca asp a 47}14.29 -4.839 -24.019
{ca leu a 48}14.678 -5.353 -20.284
{ca ser a 49}17.773 -7.517 -20.525
{ca his a 50}20.777 -6.497 -18.516
{ca gly a 51}22.63 -3.57 -19.979
{ca ser a 52}19.977 -2.649 -22.471
{ca ala a 53}20.311 0.826 -23.967
{ca gln a 54}16.593 1.4 -23.402
{ca val a 55}16.91 0.869 -19.673
{ca lys a 56}20.094 2.915 -19.437
{ca gly a 57}18.423 5.705 -21.382
{ca his a 58}15.363 5.641 -19.208
{ca gly a 59}17.493 5.51 -16.061
{ca lys a 60}19.172 8.703 -17.119
{ca lys a 61}15.838 10.427 -17.638
{ca val a 62}14.611 9.36 -14.22
{ca ala a 63}17.821 10.532 -12.625
{ca asp a 64}17.728 13.918 -14.356
{ca ala a 65}14.184 14.472 -13.123
{ca leu a 66}15.3 13.708 -9.573
{ca thr a 67}18.227 16.077 -10.02
{ca asn a 68}15.703 18.709 -11.11
{ca ala a 69}13.613 17.966 -8.031
{ca val a 70}16.577 18.335 -5.662
{ca ala a 71}17.455 21.68 -7.26
{ca his a 72}13.887 22.876 -6.723
{ca val a 73}13.047 21.103 -3.544
{ca asp a 74}11.131 24.179 -2.275
{ca asp a 75}8.993 24.209 -5.411
{ca met a 76}8.636 20.6 -6.568
{ca pro a 77}4.938 20.764 -7.783
{ca asn a 78}5.955 23.366 -10.347
{ca ala a 79}9.243 21.84 -11.303
{ca leu a 80}7.705 18.422 -11.994
{ca ser a 81}4.416 19.724 -13.447
{ca ala a 82}4.959 18.276 -16.925
{ca leu a 83}5.964 14.919 -15.461
{ca ser a 84}2.869 14.72 -13.246
{ca asp a 85}0.713 15.445 -16.288
{ca leu a 86}2.515 12.731 -18.208
{ca his a 87}2.094 10.06 -15.577
{ca ala a 88}-1.478 11.037 -14.766
{ca his a 89}-2.929 11.277 -18.255
{ca lys a 90}-0.735 9.142 -20.422
{ca leu a 91}1.384 6.528 -18.674
{ca arg a 92}-1.119 5.987 -15.826
{ca val a 93}1.148 3.881 -13.67
{ca asp a 94}-0.654 2.617 -10.574
{ca pro a 95}0.556 4.665 -7.552
{ca val a 96}1.726 1.549 -5.661
{ca asn a 97}4.639 1.154 -8.075
{ca phe a 98}6.198 4.46 -7.011
{ca lys a 99}6.97 2.914 -3.654
{ca leu a 100}8.699 0.027 -5.281
{ca leu a 101}10.965 2.199 -7.388
{ca ser a 102}11.65 4.449 -4.389
{ca his a 103}12.814 1.47 -2.37
{ca cys a 104}15.097 0.286 -5.174
{ca leu a 105}16.567 3.758 -5.55
{ca leu a 106}17.285 3.775 -1.814
{ca val a 107}18.979 0.366 -2.091
{ca thr a 108}21.061 1.595 -5.018
{ca leu a 109}22.19 4.656 -3.075
{ca ala a 110}23.011 2.496 -0.044
{ca ala a 111}25.155 0.207 -2.171
{ca his a 112}27.15 3.085 -3.625
{ca leu a 113}27.409 5.616 -0.83
{ca pro a 114}28.861 3.639 2.11
{ca ala a 115}29.932 6.735 4.025
{ca glu a 116}26.954 9.054 3.194
{ca phe a 117}24.068 6.712 3.876
{ca thr a 118}23.71 7.392 7.595
{ca pro a 119}20.419 6.648 9.455
{ca ala a 120}19.477 10.327 9.297
{ca val a 121}20.262 10.609 5.592
{ca his a 122}18.365 7.388 4.908
{ca ala a 123}15.346 8.891 6.637
{ca ser a 124}15.621 12.141 4.687
{ca leu a 125}16.003 10.345 1.363
{ca asp a 126}12.985 8.125 1.989
{ca lys a 127}10.972 11.202 2.834
{ca phe a 128}12.173 12.96 -0.255
{ca leu a 129}11.281 10.065 -2.562
{ca ala a 130}7.844 9.886 -0.977
{ca ser a 131}7.347 13.584 -1.7
{ca val a 132}8.414 13.161 -5.311
{ca ser a 133}6.011 10.219 -5.591
{ca thr a 134}3.197 12.314 -4.12
{ca val a 135}3.793 15.101 -6.623
{ca leu a 136}3.962 12.711 -9.576
{ca thr a 137}0.611 11.148 -8.601
{ca ser a 138}-1.049 14.479 -7.722
{ca lys a 139}-3.183 14.822 -10.789
{ca tyr a 140}-4.347 11.247 -11.236

@balllist {scn} color= blue radius= .2
{nz lys a 127} 10.518 14.958 7.602
{ne arg a 141} -8.517 9.076 -6.403
{nh1 arg a 141} -10.15 7.487 -6.019
{nh2 arg a 141} -8.725 8.129 -4.343
@balllist {sco} color= red radius= .2
{od1 asp a 126} 11.601 5.574 1.869
{od2 asp a 126} 10.796 6.085 3.817
{oh tyr a 140} 0.862 7.482 -12.331
@vectorlist {sc} color= green 
{ca val a 1}P 7.06 17.792 4.76 {cb val a 1}6.342 18.738 5.727
{cg1 val a 1}7.114 20.033 5.993
{cb val a 1}P 6.342 18.738 5.727 {cg2 val a 1}4.924 19.032 5.232
{ca asp a 126}P 12.985 8.125 1.989 {cb asp a 126}12.821 7.156 3.167
{cg asp a 126}11.649 6.202 2.932
{od1 asp a 126}11.601 5.574 1.869
{cg asp a 126}P 11.649 6.202 2.932 {od2 asp a 126}10.796 6.085 3.817
{ca lys a 127}P 10.972 11.202 2.834 {cb lys a 127}11.393 12.164 3.933
{cg lys a 127}10.409 12.119 5.094
{cd lys a 127}10.908 12.952 6.265
{ce lys a 127}10.113 14.245 6.384
{nz lys a 127}10.518 14.958 7.602
{ca tyr a 140}P -4.347 11.247 -11.236 {cb tyr a 140}-3.868 10.048 -10.417
{cg tyr a 140}-2.578 9.37 -10.93
{cd1 tyr a 140}-2.541 7.996 -11.049
{ce1 tyr a 140}-1.396 7.361 -11.509
{cz tyr a 140}-0.273 8.106 -11.854
{oh tyr a 140}0.862 7.482 -12.331
{cg tyr a 140}P -2.578 9.37 -10.93 {cd2 tyr a 140}-1.462 10.111 -11.272
{ce2 tyr a 140}-0.308 9.485 -11.733
{cz tyr a 140}-0.273 8.106 -11.854
{ca arg a 141}P -7.922 12.248 -10.253 {cb arg a 141}-8.639 11.005 -9.687
{cg arg a 141}-8.153 10.551 -8.308
{cd arg a 141}-8.914 9.319 -7.796
{ne arg a 141}-8.517 9.076 -6.403
{cz arg a 141}-9.142 8.234 -5.593
{nh1 arg a 141}-10.15 7.487 -6.019
{cz arg a 141}P -9.142 8.234 -5.593 {nh2 arg a 141}-8.725 8.129 -4.343
@labellist {lb} color= sea master= {labels}
{ V}6.342 18.738 5.727
{ D}12.821 7.156 3.167
{ K}11.393 12.164 3.933
{ Y}-3.868 10.048 -10.417
{ R}-8.639 11.005 -9.687
{heme} 9.365 11.341 -19.815
@subgroup {alpha 2} dominant master= {alpha2}
@balllist {mcn} color= blue radius= .2
{n val a 1} -6.452 16.459 -4.843
{n arg a 141} 6.466 12.036 10.348
@balllist {mco} color= red radius= .2
{o val a 1} -8.992 17.182 -6.072
{o tyr a 140} 6.488 10.649 12.132
{o arg a 141} 7.112 13.967 8.853
{oxt arg a 141} 9.233 14.024 9.296
{o val a 93} -0.273 4.89 11.7
@vectorlist {mc} color= bluetint 
{n val a 1}P -6.452 16.459 -4.843
{ca val a 1}-7.06 17.792 -4.76
{c val a 1}-8.561 17.703 -5.038
{o val a 1}-8.992 17.182 -6.072
{ca val a 93}P -1.148 3.881 13.67 {c val a 93}-0.432 3.841 12.322
{o val a 93}-0.273 4.89 11.7
{c val a 93}P -0.432 3.841 12.322 {n asp a 94}-0.01 2.671 11.881
{ca asp a 94}0.654 2.617 10.574
{ca tyr a 140}P 4.347 11.247 11.236 {c tyr a 140}5.879 11.292 11.271
{o tyr a 140}6.488 10.649 12.132
{c tyr a 140}P 5.879 11.292 11.271 {n arg a 141}6.466 12.036 10.348
{ca arg a 141}7.922 12.248 10.253
{c arg a 141}8.119 13.499 9.393
{o arg a 141}7.112 13.967 8.853
{c arg a 141}P 8.119 13.499 9.393 {oxt arg a 141}9.233 14.024 9.296
@vectorlist {ca} color= bluetint 
{c val a 1}P -8.561 17.703 -5.038 {ca leu a 2}-10.785 18.159 -4.237
{ca ser a 3}-12.492 19.934 -7.127
{ca pro a 4}-15.511 22.192 -6.331
{ca ala a 5}-17.676 19.403 -7.724
{ca asp a 6}-16.059 16.945 -5.311
{ca lys a 7}-16.809 19.277 -2.425
{ca thr a 8}-20.41 19.643 -3.508
{ca asn a 9}-20.715 15.845 -3.737
{ca val a 10}-19.208 15.283 -0.296
{ca lys a 11}-21.393 17.926 1.357
{ca ala a 12}-24.474 16.497 -0.269
{ca ala a 13}-23.747 12.921 0.738
{ca trp a 14}-22.645 13.719 4.242
{ca gly a 15}-25.65 15.995 4.59
{ca lys a 16}-27.926 12.981 4.
{ca val a 17}-25.899 11.07 6.587
{ca gly a 18}-26.822 13.8 9.05
{ca ala a 19}-27.749 12.396 12.429
{ca his a 20}-26.775 8.793 11.715
{ca ala a 21}-23.135 9.749 11.417
{ca gly a 22}-22.226 8.131 14.747
{ca glu a 23}-24.091 4.921 13.981
{ca tyr a 24}-22.375 4.686 10.602
{ca gly a 25}-19.009 5.348 12.224
{ca ala a 26}-19.466 2.37 14.535
{ca glu a 27}-20.608 0.151 11.695
{ca ala a 28}-17.549 1.057 9.635
{ca leu a 29}-15.308 0.145 12.566
{ca glu a 30}-17.005 -3.199 13.017
{ca arg a 31}-16.68 -3.889 9.304
{ca met a 32}-12.978 -3.07 9.533
{ca phe a 33}-12.322 -5.344 12.527
{ca leu a 34}-14.025 -8.281 10.823
{ca ser a 35}-12.66 -7.82 7.301
{ca phe a 36}-9.137 -6.759 8.291
{ca pro a 37}-8.342 -8.369 11.658
{ca thr a 38}-4.849 -6.856 11.722
{ca thr a 39}-6.476 -3.521 12.607
{ca lys a 40}-7.553 -4.934 15.967
{ca thr a 41}-3.927 -4.747 17.127
{ca tyr a 42}-4.518 -1.055 17.836
{ca phe a 43}-7.479 -1.702 20.098
{ca pro a 44}-6.334 -4.397 22.635
{ca his a 45}-7.962 -2.357 25.415
{ca phe a 46}-11.432 -2.435 23.847
{ca asp a 47}-14.29 -4.839 24.019
{ca leu a 48}-14.678 -5.353 20.284
{ca ser a 49}-17.773 -7.517 20.525
{ca his a 50}-20.777 -6.497 18.516
{ca gly a 51}-22.63 -3.57 19.979
{ca ser a 52}-19.977 -2.649 22.471
{ca ala a 53}-20.311 0.826 23.967
{ca gln a 54}-16.593 1.4 23.402
{ca val a 55}-16.91 0.869 19.673
{ca lys a 56}-20.094 2.915 19.437
{ca gly a 57}-18.423 5.705 21.382
{ca his a 58}-15.363 5.641 19.208
{ca gly a 59}-17.493 5.51 16.061
{ca lys a 60}-19.172 8.703 17.119
{ca lys a 61}-15.838 10.427 17.638
{ca val a 62}-14.611 9.36 14.22
{ca ala a 63}-17.821 10.532 12.625
{ca asp a 64}-17.728 13.918 14.356
{ca ala a 65}-14.184 14.472 13.123
{ca leu a 66}-15.3 13.708 9.573
{ca thr a 67}-18.227 16.077 10.02
{ca asn a 68}-15.703 18.709 11.11
{ca ala a 69}-13.613 17.966 8.031
{ca val a 70}-16.577 18.335 5.662
{ca ala a 71}-17.455 21.68 7.26
{ca his a 72}-13.887 22.876 6.723
{ca val a 73}-13.047 21.103 3.544
{ca asp a 74}-11.131 24.179 2.275
{ca asp a 75}-8.993 24.209 5.411
{ca met a 76}-8.636 20.6 6.568
{ca pro a 77}-4.938 20.764 7.783
{ca asn a 78}-5.955 23.366 10.347
{ca ala a 79}-9.243 21.84 11.303
{ca leu a 80}-7.705 18.422 11.994
{ca ser a 81}-4.416 19.724 13.447
{ca ala a 82}-4.959 18.276 16.925
{ca leu a 83}-5.964 14.919 15.461
{ca ser a 84}-2.869 14.72 13.246
{ca asp a 85}-0.713 15.445 16.288
{ca leu a 86}-2.515 12.731 18.208
{ca his a 87}-2.094 10.06 15.577
{ca ala a 88}1.478 11.037 14.766
{ca his a 89}2.929 11.277 18.255
{ca lys a 90}0.735 9.142 20.422
{ca leu a 91}-1.384 6.528 18.674
{ca arg a 92}1.119 5.987 15.826
{ca val a 93}-1.148 3.881 13.67
{ca asp a 94}P 0.654 2.617 10.574 {ca pro a 95}-0.556 4.665 7.552
{ca val a 96}-1.726 1.549 5.661
{ca asn a 97}-4.639 1.154 8.075
{ca phe a 98}-6.198 4.46 7.011
{ca lys a 99}-6.97 2.914 3.654
{ca leu a 100}-8.699 0.027 5.281
{ca leu a 101}-10.965 2.199 7.388
{ca ser a 102}-11.65 4.449 4.389
{ca his a 103}-12.814 1.47 2.37
{ca cys a 104}-15.097 0.286 5.174
{ca leu a 105}-16.567 3.758 5.55
{ca leu a 106}-17.285 3.775 1.814
{ca val a 107}-18.979 0.366 2.091
{ca thr a 108}-21.061 1.595 5.018
{ca leu a 109}-22.19 4.656 3.075
{ca ala a 110}-23.011 2.496 0.044
{ca ala a 111}-25.155 0.207 2.171
{ca his a 112}-27.15 3.085 3.625
{ca leu a 113}-27.409 5.616 0.83
{ca pro a 114}-28.861 3.639 -2.11
{ca ala a 115}-29.932 6.735 -4.025
{ca glu a 116}-26.954 9.054 -3.194
{ca phe a 117}-24.068 6.712 -3.876
{ca thr a 118}-23.71 7.392 -7.595
{ca pro a 119}-20.419 6.648 -9.455
{ca ala a 120}-19.477 10.327 -9.297
{ca val a 121}-20.262 10.609 -5.592
{ca his a 122}-18.365 7.388 -4.908
{ca ala a 123}-15.346 8.891 -6.637
{ca ser a 124}-15.621 12.141 -4.687
{ca leu a 125}-16.003 10.345 -1.363
{ca asp a 126}-12.985 8.125 -1.989
{ca lys a 127}-10.972 11.202 -2.834
{ca phe a 128}-12.173 12.96 0.255
{ca leu a 129}-11.281 10.065 2.562
{ca ala a 130}-7.844 9.886 0.977
{ca ser a 131}-7.347 13.584 1.7
{ca val a 132}-8.414 13.161 5.311
{ca ser a 133}-6.011 10.219 5.591
{ca thr a 134}-3.197 12.314 4.12
{ca val a 135}-3.793 15.101 6.623
{ca leu a 136}-3.962 12.711 9.576
{ca thr a 137}-0.611 11.148 8.601
{ca ser a 138}1.049 14.479 7.722
{ca lys a 139}3.183 14.822 10.789
{ca tyr a 140}4.347 11.247 11.236

@balllist {scn} color= blue radius= .2
{nz lys a 127} -10.518 14.958 -7.602
{ne arg a 141} 8.517 9.076 6.403
{nh1 arg a 141} 10.15 7.487 6.019
{nh2 arg a 141} 8.725 8.129 4.343
@balllist {sco} color= red radius= .2
{od1 asp a 126} -11.601 5.574 -1.869
{od2 asp a 126} -10.796 6.085 -3.817
{oh tyr a 140} -0.862 7.482 12.331
@vectorlist {sc} color= green 
{ca val a 1}P -7.06 17.792 -4.76 {cb val a 1}-6.342 18.738 -5.727
{cg1 val a 1}-7.114 20.033 -5.993
{cb val a 1}P -6.342 18.738 -5.727 {cg2 val a 1}-4.924 19.032 -5.232
{ca asp a 126}P -12.985 8.125 -1.989 {cb asp a 126}-12.821 7.156 -3.167
{cg asp a 126}-11.649 6.202 -2.932
{od1 asp a 126}-11.601 5.574 -1.869
{cg asp a 126}P -11.649 6.202 -2.932 {od2 asp a 126}-10.796 6.085 -3.817
{ca lys a 127}P -10.972 11.202 -2.834 {cb lys a 127}-11.393 12.164 -3.933
{cg lys a 127}-10.409 12.119 -5.094
{cd lys a 127}-10.908 12.952 -6.265
{ce lys a 127}-10.113 14.245 -6.384
{nz lys a 127}-10.518 14.958 -7.602
{ca tyr a 140}P 4.347 11.247 11.236 {cb tyr a 140}3.868 10.048 10.417
{cg tyr a 140}2.578 9.37 10.93
{cd1 tyr a 140}2.541 7.996 11.049
{ce1 tyr a 140}1.396 7.361 11.509
{cz tyr a 140}0.273 8.106 11.854
{oh tyr a 140}-0.862 7.482 12.331
{cg tyr a 140}P 2.578 9.37 10.93 {cd2 tyr a 140}1.462 10.111 11.272
{ce2 tyr a 140}0.308 9.485 11.733
{cz tyr a 140}0.273 8.106 11.854
{ca arg a 141}P 7.922 12.248 10.253 {cb arg a 141}8.639 11.005 9.687
{cg arg a 141}8.153 10.551 8.308
{cd arg a 141}8.914 9.319 7.796
{ne arg a 141}8.517 9.076 6.403
{cz arg a 141}9.142 8.234 5.593
{nh1 arg a 141}10.15 7.487 6.019
{cz arg a 141}P 9.142 8.234 5.593 {nh2 arg a 141}8.725 8.129 4.343
@labellist {lb} color= sea master= {labels} 
{ V}-6.342 18.738 -5.727
{ D}-12.821 7.156 -3.167
{ K}-11.393 12.164 -3.933
{ Y}3.868 10.048 10.417
{ R}8.639 11.005 9.687
{heme} -9.365 11.341 19.815
@subgroup {h-bonds} dominant master= {h-bonds}
@vectorlist {Hbonds} color=purple
{oxt arg a 141}P U 9.62 14.306 8.785 {nz lys a 127}U 10.131 14.676 8.113
{nz lys a 127}P U 10.174 15.46 7.257 {o val a 1}U 9.336 16.68 6.417
{nh1 arg a 141}P U 10.318 7.122 5.446 {od2 asp a 126}U 10.628 6.45 4.39
{o val a 93}P U -0.424 5.554 11.862 {oh tyr a 140}U -0.711 6.818 12.169

@group {oxy} animate dominant
@subgroup {alpha 1} dominant master= {alpha1}
@balllist {mcn} color= blue radius= .2
{n val a 1} 5.64 17.21 8.69
{n arg a 141} -5.31 11.33 -6.86
@balllist {mco} color= red radius= .2
{o val a 1} 7.84 16.25 7.66
{o tyr a 140} -6.97 11.67 -8.36
{o arg a 141} -7.17 12.97 -7.47
{oxt arg a 141} -7.4 13.7 -5.34
@vectorlist {mc} color= pinktint 
{n val a 1}P 5.64 17.21 8.69 {n val a 1}5.64 17.21 8.69
{ca val a 1}5.66 17.22 7.28
{c val a 1}7.15 17.02 6.98
{o val a 1}7.84 16.25 7.66
{ca tyr a 140}P -4.81 10.98 -9.19 {c tyr a 140}-5.8 11.36 -8.09
{o tyr a 140}-6.97 11.67 -8.36
{c tyr a 140}P -5.8 11.36 -8.09 {n arg a 141}-5.31 11.33 -6.86
{ca arg a 141}-6.16 11.66 -5.71
{c arg a 141}-6.96 12.84 -6.25
{o arg a 141}-7.17 12.97 -7.47
{c arg a 141}P -6.96 12.84 -6.25 {oxt arg a 141}-7.4 13.7 -5.34
@vectorlist {ca} color= pinktint 
{c val a 1}P 7.15 17.02 6.98 {ca leu a 2}9. 17.66 5.6
{ca ser a 3}10.76 19.58 8.34
{ca pro a 4}13.47 22.26 8.79
{ca ala a 5}15.93 19.46 9.24
{ca asp a 6}14.86 16.73 6.81
{ca lys a 7}15.21 19.5 4.19
{ca thr a 8}18.82 19.64 5.35
{ca asn a 9}19.72 15.97 5.27
{ca val a 10}18.57 15.87 1.65
{ca lys a 11}20.07 19.18 0.54
{ca ala a 12}23.2 17.46 1.89
{ca ala a 13}23.02 13.82 0.97
{ca trp a 14}22.32 14.88 -2.59
{ca gly a 15}25.13 17.57 -2.02
{ca lys a 16}27.67 14.77 -2.09
{ca val a 17}26.07 12.48 -4.66
{ca gly a 18}26.58 15.17 -7.27
{ca ala a 19}28.68 14.55 -10.5
{ca his a 20}27.03 11.14 -10.18
{ca ala a 21}23.27 11.69 -9.96
{ca gly a 22}23.04 10.3 -13.49
{ca glu a 23}24.88 7.01 -13.11
{ca tyr a 24}22.75 6.61 -9.98
{ca gly a 25}19.29 7.31 -11.38
{ca ala a 26}20.05 4.65 -13.99
{ca glu a 27}21.5 2.09 -11.59
{ca ala a 28}18.11 2.38 -9.91
{ca leu a 29}15.95 1.81 -12.99
{ca glu a 30}18.1 -1.26 -13.62
{ca arg a 31}17.34 -2.45 -10.09
{ca met a 32}13.59 -1.85 -10.29
{ca phe a 33}13.45 -3.48 -13.73
{ca leu a 34}15.3 -6.53 -12.41
{ca ser a 35}13.63 -7.03 -9.03
{ca phe a 36}10.03 -6.03 -9.64
{ca pro a 37}9.67 -7.29 -13.24
{ca thr a 38}6.13 -5.93 -13.3
{ca thr a 39}7.27 -2.4 -14.1
{ca lys a 40}8.82 -3.44 -17.41
{ca thr a 41}5.3 -3.16 -18.79
{ca tyr a 42}5.92 0.63 -19.4
{ca phe a 43}9.36 0.69 -21.12
{ca pro a 44}8.48 -1.72 -23.96
{ca his a 45}10.61 0.56 -26.07
{ca phe a 46}13.71 0.14 -23.83
{ca asp a 47}16.61 -2.72 -24.
{ca leu a 48}15.81 -2.92 -20.27
{ca ser a 49}19.17 -4.46 -20.94
{ca his a 50}22.24 -3.74 -18.8
{ca gly a 51}24.49 -1.38 -20.77
{ca ser a 52}21.35 -0.17 -22.54
{ca ala a 53}21.87 3.47 -23.52
{ca gln a 54}18.18 4.24 -23.1
{ca val a 55}18.12 3.31 -19.42
{ca lys a 56}21.46 5.11 -19.03
{ca gly a 57}19.88 8.05 -20.83
{ca his a 58}16.82 8.04 -18.58
{ca gly a 59}18.79 7.86 -15.32
{ca lys a 60}19.9 11.3 -16.35
{ca lys a 61}16.24 12.32 -16.55
{ca val a 62}14.96 10.79 -13.33
{ca ala a 63}18.03 12.27 -11.71
{ca asp a 64}17.43 15.69 -13.21
{ca ala a 65}13.93 15.81 -11.82
{ca leu a 66}14.96 14.52 -8.4
{ca thr a 67}17.26 17.49 -8.16
{ca asn a 68}14.77 20.18 -9.15
{ca ala a 69}12.73 18.7 -6.34
{ca val a 70}15.65 18.85 -3.9
{ca ala a 71}15.91 22.45 -5.08
{ca his a 72}12.36 23.8 -4.89
{ca val a 73}11.52 21.35 -2.09
{ca asp a 74}9.51 23.92 -0.11
{ca asp a 75}7.15 23.7 -3.06
{ca met a 76}7.23 20.5 -5.08
{ca pro a 77}3.68 21.04 -6.32
{ca asn a 78}4.77 23.73 -8.77
{ca ala a 79}8.05 22.53 -10.04
{ca leu a 80}7.16 18.94 -10.69
{ca ser a 81}3.84 19.64 -12.38
{ca ala a 82}4.33 18.34 -15.99
{ca leu a 83}5.89 15.13 -14.68
{ca ser a 84}2.74 14.95 -12.58
{ca asp a 85}0.33 15.02 -15.52
{ca leu a 86}2.56 12.97 -17.81
{ca his a 87}2.98 10.24 -15.2
{ca ala a 88}-0.67 10.5 -14.19
{ca his a 89}-2.57 11.76 -17.22
{ca lys a 90}-0.61 10.57 -20.26
{ca leu a 91}0.9 7.33 -18.95
{ca arg a 92}-1.13 6.05 -16.02
{ca val a 93}1.53 4.53 -13.8
{ca asp a 94}0.02 2.45 -11.
{ca pro a 95}1.09 4.48 -7.98
{ca val a 96}2.44 1.46 -6.12
{ca asn a 97}5.26 1.8 -8.64
{ca phe a 98}6.59 4.99 -7.05
{ca lys a 99}6.96 3.15 -3.76
{ca leu a 100}9.34 0.76 -5.5
{ca leu a 101}11.62 3.06 -7.49
{ca ser a 102}11.56 5.06 -4.28
{ca his a 103}13.12 1.99 -2.69
{ca cys a 104}15.68 1.04 -5.32
{ca leu a 105}16.76 4.68 -5.28
{ca leu a 106}17.59 4.27 -1.59
{ca val a 107}19.26 0.89 -2.06
{ca thr a 108}21.42 3. -4.32
{ca leu a 109}22.26 6.04 -2.18
{ca ala a 110}23.02 3.26 0.3
{ca ala a 111}25.4 1.28 -1.91
{ca his a 112}27.42 4.22 -3.22
{ca leu a 113}27.22 6.26 -0.03
{ca pro a 114}27.96 4.71 3.36
{ca ala a 115}29.08 7.33 5.88
{ca glu a 116}26.57 10. 4.94
{ca phe a 117}23.85 7.34 4.86
{ca thr a 118}23.2 7.38 8.61
{ca pro a 119}19.85 6.23 9.96
{ca ala a 120}18.46 9.74 10.42
{ca val a 121}19.33 10.44 6.8
{ca his a 122}17.88 7.13 5.65
{ca ala a 123}14.66 8.53 7.08
{ca ser a 124}14.82 11.96 5.45
{ca leu a 125}15.63 10.59 1.99
{ca asp a 126}12.63 8.32 2.49
{ca lys a 127}10.49 11.23 3.66
{ca phe a 128}11.74 13.21 0.68
{ca leu a 129}10.73 10.61 -1.9
{ca ala a 130}7.43 9.77 -0.26
{ca ser a 131}6.73 13.41 -1.12
{ca val a 132}7.91 13.27 -4.72
{ca ser a 133}5.51 10.38 -5.3
{ca thr a 134}2.61 12.08 -3.54
{ca val a 135}3.16 15.07 -5.93
{ca leu a 136}3.62 12.57 -8.81
{ca thr a 137}0.35 10.89 -8.02
{ca ser a 138}-1.99 13.86 -7.41
{ca lys a 139}-4.14 14.47 -10.48
{ca tyr a 140}-4.81 10.98 -9.19

@balllist {scn} color= blue radius= .2
{nz lys a 127} 9.67 12.17 9.63
{ne arg a 141} -1.79 11.53 -3.48
{nh1 arg a 141} -3. 9.77 -2.51
{nh2 arg a 141} -0.72 9.92 -2.23
@balllist {sco} color= red radius= .2
{od1 asp a 126} 10.19 6.61 3.79
{od2 asp a 126} 11.47 5.4 2.67
{oh tyr a 140} -1.47 7.11 -13.18
@vectorlist {sc} color= yellow 
{ca val a 1}P 5.66 17.22 7.28 {cb val a 1}5.05 17.6 6.35
{cg1 val a 1}4.32 18.8 7.
{cb val a 1}P 5.05 17.6 6.35 {cg2 val a 1}5.93 18.02 5.2
{ca asp a 126}P 12.63 8.32 2.49 {cb asp a 126}12.52 7.23 3.57
{cg asp a 126}11.3 6.36 3.36
{od1 asp a 126}10.19 6.61 3.79
{cg asp a 126}P 11.3 6.36 3.36 {od2 asp a 126}11.47 5.4 2.67
{ca lys a 127}P 10.49 11.23 3.66 {cb lys a 127}10.7 12.05 4.93
{cg lys a 127}10.37 11.31 6.21
{cd lys a 127}10.8 12.12 7.43
{ce lys a 127}10.53 11.37 8.73
{nz lys a 127}9.67 12.17 9.63
{ca tyr a 140}P -4.81 10.98 -9.19 {cb tyr a 140}-3.72 9.97 -8.79
{cg tyr a 140}-3.15 9.17 -9.97
{cd1 tyr a 140}-1.81 8.74 -9.89
{ce1 tyr a 140}-1.25 7.99 -11.01
{cz tyr a 140}-2. 7.8 -12.11
{oh tyr a 140}-1.47 7.11 -13.18
{cg tyr a 140}P -3.15 9.17 -9.97 {cd2 tyr a 140}-3.88 8.95 -11.11
{ce2 tyr a 140}-3.34 8.22 -12.21
{cz tyr a 140}-2. 7.8 -12.11
{ca arg a 141}P -6.16 11.66 -5.71 {cb arg a 141}-5.31 12.01 -4.47
{cg arg a 141}-4.09 11.09 -4.25
{cd arg a 141}-2.81 11.87 -4.49
{ne arg a 141}-1.79 11.53 -3.48
{cz arg a 141}-1.84 10.4 -2.73
{nh1 arg a 141}-3. 9.77 -2.51
{cz arg a 141}P -1.84 10.4 -2.73 {nh2 arg a 141}-0.72 9.92 -2.23
@labellist {lb} color= gold master= {labels}
{ V}5.05 17.6 6.35
{ D}12.52 7.23 3.57
{ K}10.7 12.05 4.93
{ Y}-3.72 9.97 -8.79
{ R}-5.31 12.01 -4.47
{heme} 10.43 13.91 -18.35
@subgroup {alpha 2} dominant master= {alpha2}
@balllist {mcn} color= blue radius= .2
{n val a 1} -5.64 17.21 -8.69
{n arg a 141} 5.31 11.33 6.86
@balllist {mco} color= red radius= .2
{o val a 1} -7.84 16.25 -7.66
{o tyr a 140} 6.97 11.67 8.36
{o arg a 141} 7.17 12.97 7.47
{oxt arg a 141} 7.4 13.7 5.34
{o val a 93} -0.22 5.07 11.85
@vectorlist {mc} color= pinktint 
{n val a 1}P -5.64 17.21 -8.69 {ca val a 1}-5.66 17.22 -7.28
{c val a 1}-7.15 17.02 -6.98
{o val a 1}-7.84 16.25 -7.66
{ca val a 93}P -1.53 4.53 13.8 {c val a 93}-0.76 4.18 12.52
{o val a 93}-0.22 5.07 11.85
{c val a 93}P -0.76 4.18 12.52 {n asp a 94}-0.73 2.9 12.21
{ca asp a 94}-0.02 2.45 11.
{ca tyr a 140}P 4.81 10.98 9.19 {c tyr a 140}5.8 11.36 8.09
{o tyr a 140}6.97 11.67 8.36
{c tyr a 140}P 5.8 11.36 8.09 {n arg a 141}5.31 11.33 6.86
{ca arg a 141}6.16 11.66 5.71
{c arg a 141}6.96 12.84 6.25
{o arg a 141}7.17 12.97 7.47
{c arg a 141}P 6.96 12.84 6.25 {oxt arg a 141}7.4 13.7 5.34
@vectorlist {ca} color= pinktint 
{c val a 1}P -7.15 17.02 -6.98 {ca leu a 2}-9. 17.66 -5.6
{ca ser a 3}-10.76 19.58 -8.34
{ca pro a 4}-13.47 22.26 -8.79
{ca ala a 5}-15.93 19.46 -9.24
{ca asp a 6}-14.86 16.73 -6.81
{ca lys a 7}-15.21 19.5 -4.19
{ca thr a 8}-18.82 19.64 -5.35
{ca asn a 9}-19.72 15.97 -5.27
{ca val a 10}-18.57 15.87 -1.65
{ca lys a 11}-20.07 19.18 -0.54
{ca ala a 12}-23.2 17.46 -1.89
{ca ala a 13}-23.02 13.82 -0.97
{ca trp a 14}-22.32 14.88 2.59
{ca gly a 15}-25.13 17.57 2.02
{ca lys a 16}-27.67 14.77 2.09
{ca val a 17}-26.07 12.48 4.66
{ca gly a 18}-26.58 15.17 7.27
{ca ala a 19}-28.68 14.55 10.5
{ca his a 20}-27.03 11.14 10.18
{ca ala a 21}-23.27 11.69 9.96
{ca gly a 22}-23.04 10.3 13.49
{ca glu a 23}-24.88 7.01 13.11
{ca tyr a 24}-22.75 6.61 9.98
{ca gly a 25}-19.29 7.31 11.38
{ca ala a 26}-20.05 4.65 13.99
{ca glu a 27}-21.5 2.09 11.59
{ca ala a 28}-18.11 2.38 9.91
{ca leu a 29}-15.95 1.81 12.99
{ca glu a 30}-18.1 -1.26 13.62
{ca arg a 31}-17.34 -2.45 10.09
{ca met a 32}-13.59 -1.85 10.29
{ca phe a 33}-13.45 -3.48 13.73
{ca leu a 34}-15.3 -6.53 12.41
{ca ser a 35}-13.63 -7.03 9.03
{ca phe a 36}-10.03 -6.03 9.64
{ca pro a 37}-9.67 -7.29 13.24
{ca thr a 38}-6.13 -5.93 13.3
{ca thr a 39}-7.27 -2.4 14.1
{ca lys a 40}-8.82 -3.44 17.41
{ca thr a 41}-5.3 -3.16 18.79
{ca tyr a 42}-5.92 0.63 19.4
{ca phe a 43}-9.36 0.69 21.12
{ca pro a 44}-8.48 -1.72 23.96
{ca his a 45}-10.61 0.56 26.07
{ca phe a 46}-13.71 0.14 23.83
{ca asp a 47}-16.61 -2.72 24.
{ca leu a 48}-15.81 -2.92 20.27
{ca ser a 49}-19.17 -4.46 20.94
{ca his a 50}-22.24 -3.74 18.8
{ca gly a 51}-24.49 -1.38 20.77
{ca ser a 52}-21.35 -0.17 22.54
{ca ala a 53}-21.87 3.47 23.52
{ca gln a 54}-18.18 4.24 23.1
{ca val a 55}-18.12 3.31 19.42
{ca lys a 56}-21.46 5.11 19.03
{ca gly a 57}-19.88 8.05 20.83
{ca his a 58}-16.82 8.04 18.58
{ca gly a 59}-18.79 7.86 15.32
{ca lys a 60}-19.9 11.3 16.35
{ca lys a 61}-16.24 12.32 16.55
{ca val a 62}-14.96 10.79 13.33
{ca ala a 63}-18.03 12.27 11.71
{ca asp a 64}-17.43 15.69 13.21
{ca ala a 65}-13.93 15.81 11.82
{ca leu a 66}-14.96 14.52 8.4
{ca thr a 67}-17.26 17.49 8.16
{ca asn a 68}-14.77 20.18 9.15
{ca ala a 69}-12.73 18.7 6.34
{ca val a 70}-15.65 18.85 3.9
{ca ala a 71}-15.91 22.45 5.08
{ca his a 72}-12.36 23.8 4.89
{ca val a 73}-11.52 21.35 2.09
{ca asp a 74}-9.51 23.92 0.11
{ca asp a 75}-7.15 23.7 3.06
{ca met a 76}-7.23 20.5 5.08
{ca pro a 77}-3.68 21.04 6.32
{ca asn a 78}-4.77 23.73 8.77
{ca ala a 79}-8.05 22.53 10.04
{ca leu a 80}-7.16 18.94 10.69
{ca ser a 81}-3.84 19.64 12.38
{ca ala a 82}-4.33 18.34 15.99
{ca leu a 83}-5.89 15.13 14.68
{ca ser a 84}-2.74 14.95 12.58
{ca asp a 85}-0.33 15.02 15.52
{ca leu a 86}-2.56 12.97 17.81
{ca his a 87}-2.98 10.24 15.2
{ca ala a 88}0.67 10.5 14.19
{ca his a 89}2.57 11.76 17.22
{ca lys a 90}0.61 10.57 20.26
{ca leu a 91}-0.9 7.33 18.95
{ca arg a 92}1.13 6.05 16.02
{ca val a 93}-1.53 4.53 13.8
{ca asp a 94}P -0.02 2.45 11. {ca pro a 95}-1.09 4.48 7.98
{ca val a 96}-2.44 1.46 6.12
{ca asn a 97}-5.26 1.8 8.64
{ca phe a 98}-6.59 4.99 7.05
{ca lys a 99}-6.96 3.15 3.76
{ca leu a 100}-9.34 0.76 5.5
{ca leu a 101}-11.62 3.06 7.49
{ca ser a 102}-11.56 5.06 4.28
{ca his a 103}-13.12 1.99 2.69
{ca cys a 104}-15.68 1.04 5.32
{ca leu a 105}-16.76 4.68 5.28
{ca leu a 106}-17.59 4.27 1.59
{ca val a 107}-19.26 0.89 2.06
{ca thr a 108}-21.42 3. 4.32
{ca leu a 109}-22.26 6.04 2.18
{ca ala a 110}-23.02 3.26 -0.3
{ca ala a 111}-25.4 1.28 1.91
{ca his a 112}-27.42 4.22 3.22
{ca leu a 113}-27.22 6.26 0.03
{ca pro a 114}-27.96 4.71 -3.36
{ca ala a 115}-29.08 7.33 -5.88
{ca glu a 116}-26.57 10. -4.94
{ca phe a 117}-23.85 7.34 -4.86
{ca thr a 118}-23.2 7.38 -8.61
{ca pro a 119}-19.85 6.23 -9.96
{ca ala a 120}-18.46 9.74 -10.42
{ca val a 121}-19.33 10.44 -6.8
{ca his a 122}-17.88 7.13 -5.65
{ca ala a 123}-14.66 8.53 -7.08
{ca ser a 124}-14.82 11.96 -5.45
{ca leu a 125}-15.63 10.59 -1.99
{ca asp a 126}-12.63 8.32 -2.49
{ca lys a 127}-10.49 11.23 -3.66
{ca phe a 128}-11.74 13.21 -0.68
{ca leu a 129}-10.73 10.61 1.9
{ca ala a 130}-7.43 9.77 0.26
{ca ser a 131}-6.73 13.41 1.12
{ca val a 132}-7.91 13.27 4.72
{ca ser a 133}-5.51 10.38 5.3
{ca thr a 134}-2.61 12.08 3.54
{ca val a 135}-3.16 15.07 5.93
{ca leu a 136}-3.62 12.57 8.81
{ca thr a 137}-0.35 10.89 8.02
{ca ser a 138}1.99 13.86 7.41
{ca lys a 139}4.14 14.47 10.48
{ca tyr a 140}4.81 10.98 9.19

@balllist {scn} color= blue radius= .2
{nz lys a 127} -9.67 12.17 -9.63
{ne arg a 141} 1.79 11.53 3.48
{nh1 arg a 141} 3. 9.77 2.51
{nh2 arg a 141} 0.72 9.92 2.23
@balllist {sco} color= red radius= .2
{od1 asp a 126} -10.19 6.61 -3.79
{od2 asp a 126} -11.47 5.4 -2.67
{oh tyr a 140} 1.47 7.11 13.18
@vectorlist {sc} color= yellow 
{ca val a 1}P -5.66 17.22 -7.28 {cb val a 1}-5.05 17.6 -6.35
{cg1 val a 1}-4.32 18.8 -7.
{cb val a 1}P -5.05 17.6 -6.35 {cg2 val a 1}-5.93 18.02 -5.2
{ca asp a 126}P -12.63 8.32 -2.49 {cb asp a 126}-12.52 7.23 -3.57
{cg asp a 126}-11.3 6.36 -3.36
{od1 asp a 126}-10.19 6.61 -3.79
{cg asp a 126}P -11.3 6.36 -3.36 {od2 asp a 126}-11.47 5.4 -2.67
{ca lys a 127}P -10.49 11.23 -3.66 {cb lys a 127}-10.7 12.05 -4.93
{cg lys a 127}-10.37 11.31 -6.21
{cd lys a 127}-10.8 12.12 -7.43
{ce lys a 127}-10.53 11.37 -8.73
{nz lys a 127}-9.67 12.17 -9.63
{ca tyr a 140}P 4.81 10.98 9.19 {cb tyr a 140}3.72 9.97 8.79
{cg tyr a 140}3.15 9.17 9.97
{cd1 tyr a 140}1.81 8.74 9.89
{ce1 tyr a 140}1.25 7.99 11.01
{cz tyr a 140}2. 7.8 12.11
{oh tyr a 140}1.47 7.11 13.18
{cg tyr a 140}P 3.15 9.17 9.97 {cd2 tyr a 140}3.88 8.95 11.11
{ce2 tyr a 140}3.34 8.22 12.21
{cz tyr a 140}2. 7.8 12.11
{ca arg a 141}P 6.16 11.66 5.71 {cb arg a 141}5.31 12.01 4.47
{cg arg a 141}4.09 11.09 4.25
{cd arg a 141}2.81 11.87 4.49
{ne arg a 141}1.79 11.53 3.48
{cz arg a 141}1.84 10.4 2.73
{nh1 arg a 141}3. 9.77 2.51
{cz arg a 141}P 1.84 10.4 2.73 {nh2 arg a 141}0.72 9.92 2.23
@labellist {lb} color= gold master= {labels}
{ V}-5.05 17.6 -6.35
{ D}-12.52 7.23 -3.57
{ K}-10.7 12.05 -4.93
{ Y}3.72 9.97 8.79
{ R}5.31 12.01 4.47
{heme} -10.43 13.91 18.35
@subgroup {h-bonds} dominant master= {h-bonds}
@vectorlist {Hbonds} color= brown 
{nz lys a 127}P U 9.045 12.054 9.336 {o tyr a 140}U 7.595 11.786 8.654
@vectorlist {Hbonds} color= purple
{o val a 93}P U 0.179 5.552 12.164 {oh tyr a 140}U 1.071 6.628 12.866

@kinemage 5
@caption
   Beta salt bridges, illustrated on beta2.  The charged groups at the C-terminus of Beta2 stabilize the deoxy form, with interactions both with other residues on Beta2 itself and Alpha1.  View1 is an overview.  View2 is a closeup to see the making and breaking of the interactions.  Note that Tyr 145 -OH stays close to the carbonyl oxygen of Val 93 in the FG corner.

@2viewid {closeup}
@2zoom 3.0
@2zslab 290 
@2center 4.940 -9.152 -8.207 
@2matrix 
 0.97784 -0.13227  0.16227  0.19013  0.88559 -0.42377 -0.08765  0.44523  0.89112

@group {deoxy} animate dominant
@subgroup dominant {alpha1} master= {alpha1}
@vectorlist <so beta2 next to alpha1 button> dominant {dummy} master= {beta2} 
@vectorlist {ca-ca} color= bluetint 
{ca val a1 1}P 7.06 17.792 4.76 {ca leu a1 2}10.785 18.159 4.237
{ca ser a1 3}12.492 19.934 7.127
{ca pro a1 4}15.511 22.192 6.331
{ca ala a1 5}17.676 19.403 7.724
{ca asp a1 6}16.059 16.945 5.311
{ca lys a1 7}16.809 19.277 2.425
{ca thr a1 8}20.41 19.643 3.508
{ca asn a1 9}20.715 15.845 3.737
{ca val a1 10}19.208 15.283 0.296
{ca lys a1 11}21.393 17.926 -1.357
{ca ala a1 12}24.474 16.497 0.269
{ca ala a1 13}23.747 12.921 -0.738
{ca trp a1 14}22.645 13.719 -4.242
{ca gly a1 15}25.65 15.995 -4.59
{ca lys a1 16}27.926 12.981 -4.
{ca val a1 17}25.899 11.07 -6.587
{ca gly a1 18}26.822 13.8 -9.05
{ca ala a1 19}27.749 12.396 -12.429
{ca his a1 20}26.775 8.793 -11.715
{ca ala a1 21}23.135 9.749 -11.417
{ca gly a1 22}22.226 8.131 -14.747
{ca glu a1 23}24.091 4.921 -13.981
{ca tyr a1 24}22.375 4.686 -10.602
{ca gly a1 25}19.009 5.348 -12.224
{ca ala a1 26}19.466 2.37 -14.535
{ca glu a1 27}20.608 0.151 -11.695
{ca ala a1 28}17.549 1.057 -9.635
{ca leu a1 29}15.308 0.145 -12.566
{ca glu a1 30}17.005 -3.199 -13.017
{ca arg a1 31}16.68 -3.889 -9.304
{ca met a1 32}12.978 -3.07 -9.533
{ca phe a1 33}12.322 -5.344 -12.527
{ca leu a1 34}14.025 -8.281 -10.823
{ca ser a1 35}12.66 -7.82 -7.301
{ca phe a1 36}9.137 -6.759 -8.291
{ca pro a1 37}8.342 -8.369 -11.658
{ca thr a1 38}4.849 -6.856 -11.722
{ca thr a1 39}6.476 -3.521 -12.607
{ca lys a1 40}7.553 -4.934 -15.967
{ca thr a1 41}3.927 -4.747 -17.127
{ca tyr a1 42}4.518 -1.055 -17.836
{ca phe a1 43}7.479 -1.702 -20.098
{ca pro a1 44}6.334 -4.397 -22.635
{ca his a1 45}7.962 -2.357 -25.415
{ca phe a1 46}11.432 -2.435 -23.847
{ca asp a1 47}14.29 -4.839 -24.019
{ca leu a1 48}14.678 -5.353 -20.284
{ca ser a1 49}17.773 -7.517 -20.525
{ca his a1 50}20.777 -6.497 -18.516
{ca gly a1 51}22.63 -3.57 -19.979
{ca ser a1 52}19.977 -2.649 -22.471
{ca ala a1 53}20.311 0.826 -23.967
{ca gln a1 54}16.593 1.4 -23.402
{ca val a1 55}16.91 0.869 -19.673
{ca lys a1 56}20.094 2.915 -19.437
{ca gly a1 57}18.423 5.705 -21.382
{ca his a1 58}15.363 5.641 -19.208
{ca gly a1 59}17.493 5.51 -16.061
{ca lys a1 60}19.172 8.703 -17.119
{ca lys a1 61}15.838 10.427 -17.638
{ca val a1 62}14.611 9.36 -14.22
{ca ala a1 63}17.821 10.532 -12.625
{ca asp a1 64}17.728 13.918 -14.356
{ca ala a1 65}14.184 14.472 -13.123
{ca leu a1 66}15.3 13.708 -9.573
{ca thr a1 67}18.227 16.077 -10.02
{ca asn a1 68}15.703 18.709 -11.11
{ca ala a1 69}13.613 17.966 -8.031
{ca val a1 70}16.577 18.335 -5.662
{ca ala a1 71}17.455 21.68 -7.26
{ca his a1 72}13.887 22.876 -6.723
{ca val a1 73}13.047 21.103 -3.544
{ca asp a1 74}11.131 24.179 -2.275
{ca asp a1 75}8.993 24.209 -5.411
{ca met a1 76}8.636 20.6 -6.568
{ca pro a1 77}4.938 20.764 -7.783
{ca asn a1 78}5.955 23.366 -10.347
{ca ala a1 79}9.243 21.84 -11.303
{ca leu a1 80}7.705 18.422 -11.994
{ca ser a1 81}4.416 19.724 -13.447
{ca ala a1 82}4.959 18.276 -16.925
{ca leu a1 83}5.964 14.919 -15.461
{ca ser a1 84}2.869 14.72 -13.246
{ca asp a1 85}0.713 15.445 -16.288
{ca leu a1 86}2.515 12.731 -18.208
{ca his a1 87}2.094 10.06 -15.577
{ca ala a1 88}-1.478 11.037 -14.766
{ca his a1 89}-2.929 11.277 -18.255
{ca lys a1 90}-0.735 9.142 -20.422
{ca leu a1 91}1.384 6.528 -18.674
{ca arg a1 92}-1.119 5.987 -15.826
{ca val a1 93}1.148 3.881 -13.67
{ca asp a1 94}-0.654 2.617 -10.574
{ca pro a1 95}0.556 4.665 -7.552
{ca val a1 96}1.726 1.549 -5.661
{ca asn a1 97}4.639 1.154 -8.075
{ca phe a1 98}6.198 4.46 -7.011
{ca lys a1 99}6.97 2.914 -3.654
{ca leu a1 100}8.699 0.027 -5.281
{ca leu a1 101}10.965 2.199 -7.388
{ca ser a1 102}11.65 4.449 -4.389
{ca his a1 103}12.814 1.47 -2.37
{ca cys a1 104}15.097 0.286 -5.174
{ca leu a1 105}16.567 3.758 -5.55
{ca leu a1 106}17.285 3.775 -1.814
{ca val a1 107}18.979 0.366 -2.091
{ca thr a1 108}21.061 1.595 -5.018
{ca leu a1 109}22.19 4.656 -3.075
{ca ala a1 110}23.011 2.496 -0.044
{ca ala a1 111}25.155 0.207 -2.171
{ca his a1 112}27.15 3.085 -3.625
{ca leu a1 113}27.409 5.616 -0.83
{ca pro a1 114}28.861 3.639 2.11
{ca ala a1 115}29.932 6.735 4.025
{ca glu a1 116}26.954 9.054 3.194
{ca phe a1 117}24.068 6.712 3.876
{ca thr a1 118}23.71 7.392 7.595
{ca pro a1 119}20.419 6.648 9.455
{ca ala a1 120}19.477 10.327 9.297
{ca val a1 121}20.262 10.609 5.592
{ca his a1 122}18.365 7.388 4.908
{ca ala a1 123}15.346 8.891 6.637
{ca ser a1 124}15.621 12.141 4.687
{ca leu a1 125}16.003 10.345 1.363
{ca asp a1 126}12.985 8.125 1.989
{ca lys a1 127}10.972 11.202 2.834
{ca phe a1 128}12.173 12.96 -0.255
{ca leu a1 129}11.281 10.065 -2.562
{ca ala a1 130}7.844 9.886 -0.977
{ca ser a1 131}7.347 13.584 -1.7
{ca val a1 132}8.414 13.161 -5.311
{ca ser a1 133}6.011 10.219 -5.591
{ca thr a1 134}3.197 12.314 -4.12
{ca val a1 135}3.793 15.101 -6.623
{ca leu a1 136}3.962 12.711 -9.576
{ca thr a1 137}0.611 11.148 -8.601
{ca ser a1 138}-1.049 14.479 -7.722
{ca lys a1 139}-3.183 14.822 -10.789
{ca tyr a1 140}-4.347 11.247 -11.236
{ca arg a1 141}-7.922 12.248 -10.253
@subgroup {sc Alpha1} dominant master= {alpha1}
@balllist {scn} color= blue radius= .2
{nz lys a 40} 10.315 -10.402 -15.792
@vectorlist {sc} color= green 
{ca lys a 40}P 7.553 -4.934 -15.967 {cb lys a 40}8.101 -6.315 -16.271
{cg lys a 40}9.387 -6.733 -15.579
{cd lys a 40}9.516 -8.182 -16.019
{ce lys a 40}10.498 -9.049 -15.255
{nz lys a 40}10.315 -10.402 -15.792
@labellist {lb} color= sea master= {labels}
{ K}8.101 -6.315 -16.271
@subgroup dominant {beta2} master= {beta2}
@vectorlist {ca-ca} color=cyan 
{ca val b2 1}P -8.824 -20.084 0.109 {ca his b2 2}-10.108 -21.007 3.495
{ca leu b2 3}-13.682 -20.145 4.31
{ca thr b2 4}-15.613 -21.547 7.228
{ca pro b2 5}-18.796 -23.341 6.018
{ca glu b2 6}-20.82 -20.435 7.34
{ca glu b2 7}-18.733 -18.011 5.295
{ca lys b2 8}-19.064 -20.224 2.247
{ca ser b2 9}-22.809 -20.449 2.556
{ca ala b2 10}-23.001 -16.672 3.076
{ca val b2 11}-21.113 -16.026 -0.163
{ca thr b2 12}-23.105 -18.604 -2.109
{ca ala b2 13}-26.507 -17.393 -0.911
{ca leu b2 14}-25.927 -13.742 -1.781
{ca trp b2 15}-24.451 -14.599 -5.149
{ca gly b2 16}-27.575 -16.521 -6.176
{ca lys b2 17}-29.326 -13.149 -6.186
{ca val b2 18}-26.788 -11.342 -8.339
{ca asn b2 19}-27.551 -10.365 -11.936
{ca val b2 20}-24.039 -11.026 -13.171
{ca asp b2 21}-24.414 -8.911 -16.321
{ca glu b2 22}-25.702 -5.864 -14.432
{ca val b2 23}-23.299 -6.042 -11.49
{ca gly b2 24}-20.426 -6.705 -13.881
{ca gly b2 25}-21.122 -3.586 -15.931
{ca glu b2 26}-21.483 -1.564 -12.802
{ca ala b2 27}-18.307 -2.753 -11.131
{ca leu b2 28}-16.13 -2.273 -14.194
{ca gly b2 29}-17.665 1.129 -14.885
{ca arg b2 30}-17.096 2.329 -11.356
{ca leu b2 31}-13.522 1.025 -11.48
{ca leu b2 32}-12.932 3.224 -14.511
{ca val b2 33}-14.593 6.225 -12.852
{ca val b2 34}-13.164 6.097 -9.345
{ca tyr b2 35}-9.663 5.049 -10.45
{ca pro b2 36}-9.364 6.633 -13.921
{ca trp b2 37}-5.822 5.428 -14.548
{ca thr b2 38}-7.332 1.96 -15.089
{ca gln b2 39}-8.758 3.377 -18.351
{ca arg b2 40}-5.276 2.785 -19.732
{ca phe b2 41}-6.278 -0.702 -20.975
{ca phe b2 42}-9.455 0.334 -22.689
{ca glu b2 43}-8.932 3.134 -25.167
{ca ser b2 44}-10.265 0.862 -27.873
{ca phe b2 45}-13.598 1.224 -26.037
{ca gly b2 46}-14.735 4.665 -27.135
{ca asp b2 47}-15.912 7.548 -24.984
{ca leu b2 48}-14.763 7.317 -21.354
{ca ser b2 49}-14.607 11.072 -20.714
{ca thr b2 50}-17.41 11.475 -18.145
{ca pro b2 51}-19.005 9.173 -15.513
{ca asp b2 52}-22.188 8.998 -17.594
{ca ala b2 53}-20.246 8.104 -20.728
{ca val b2 54}-18.39 5.334 -18.898
{ca met b2 55}-21.451 3.846 -17.222
{ca gly b2 56}-23.45 3.868 -20.457
{ca asn b2 57}-20.633 2.58 -22.681
{ca pro b2 58}-21.724 -0.755 -24.202
{ca lys b2 59}-18.165 -2.088 -24.473
{ca val b2 60}-17.611 -1.43 -20.804
{ca lys b2 61}-20.822 -3.296 -20.028
{ca ala b2 62}-19.846 -6.189 -22.28
{ca his b2 63}-16.42 -6.537 -20.769
{ca gly b2 64}-17.792 -6.197 -17.252
{ca lys b2 65}-20.056 -9.108 -17.979
{ca lys b2 66}-17.179 -11.218 -19.279
{ca val b2 67}-15.05 -10.501 -16.216
{ca leu b2 68}-17.771 -11.168 -13.639
{ca gly b2 69}-18.808 -14.341 -15.477
{ca ala b2 70}-15.315 -15.741 -15.029
{ca phe b2 71}-15.426 -14.537 -11.449
{ca ser b2 72}-18.742 -16.383 -11.
{ca asp b2 73}-17.298 -19.592 -12.295
{ca gly b2 74}-14.464 -19.237 -9.749
{ca leu b2 75}-16.974 -19.165 -6.88
{ca ala b2 76}-17.66 -22.767 -7.764
{ca his b2 77}-13.997 -23.657 -7.129
{ca leu b2 78}-13.179 -21.701 -3.988
{ca asp b2 79}-11.017 -24.677 -2.915
{ca asn b2 80}-8.612 -24.146 -5.785
{ca leu b2 81}-8.696 -20.656 -7.215
{ca lys b2 82}-5.112 -20.888 -8.417
{ca gly b2 83}-5.767 -23.9 -10.588
{ca thr b2 84}-8.988 -22.343 -11.882
{ca phe b2 85}-7.358 -19.062 -12.871
{ca ala b2 86}-3.887 -20.227 -13.98
{ca thr b2 87}-4.526 -19.742 -17.702
{ca leu b2 88}-6.147 -16.349 -17.23
{ca ser b2 89}-3.255 -15.36 -14.952
{ca glu b2 90}-0.78 -16.132 -17.703
{ca leu b2 91}-2.868 -14.291 -20.248
{ca his b2 92}-3.123 -11.14 -18.161
{ca cys b2 93}0.628 -11.135 -17.629
{ca asp b2 94}2.099 -12.21 -20.976
{ca lys b2 95}-0.415 -10.791 -23.382
{ca leu b2 96}-2.46 -8.096 -21.668
{ca his b2 97}0.255 -6.603 -19.362
{ca val b2 98}-2.21 -5.778 -16.599
{ca asp b2 99}P -0.605 -4.722 -13.296 {ca pro b2 100}-2.201 -7.128 -10.763
{ca glu b2 101}-2.885 -4.153 -8.465
{ca asn b2 102}-5.881 -3.603 -10.772
{ca phe b2 103}-7.388 -6.887 -9.547
{ca arg b2 104}-7.32 -5.599 -5.985
{ca leu b2 105}-8.95 -2.319 -6.97
{ca leu b2 106}-11.7 -4.18 -8.802
{ca gly b2 107}-12.24 -6.455 -5.8
{ca asn b2 108}-12.838 -3.471 -3.551
{ca val b2 109}-15.135 -1.759 -6.032
{ca leu b2 110}-17.088 -5.01 -6.358
{ca val b2 111}-17.578 -5.052 -2.593
{ca cys b2 112}-18.883 -1.471 -2.731
{ca val b2 113}-21.265 -2.448 -5.512
{ca leu b2 114}-22.604 -5.423 -3.582
{ca ala b2 115}-23.11 -3.176 -0.564
{ca his b2 116}-24.936 -0.605 -2.659
{ca his b2 117}-27.067 -3.267 -4.218
{ca phe b2 118}-28.017 -5.313 -1.208
{ca gly b2 119}-28.072 -2.628 1.48
{ca lys b2 120}-28.503 -3.953 5.017
{ca glu b2 121}-28.352 -7.563 3.788
{ca phe b2 122}-24.676 -7.016 3.149
{ca thr b2 123}-23.779 -7.32 6.816
{ca pro b2 124}-20.257 -6.944 8.289
{ca pro b2 125}-19.771 -10.821 8.443
{ca val b2 126}-20.9 -11.164 4.824
{ca gln b2 127}-18.541 -8.39 3.768
{ca ala b2 128}-15.708 -10.131 5.621
{ca ala b2 129}-16.371 -13.327 3.687
{ca tyr b2 130}-16.446 -11.496 0.374
{ca gln b2 131}-13.216 -9.693 1.202
{ca lys b2 132}-11.493 -13.02 1.595
{ca val b2 133}-12.895 -14.188 -1.718
{ca val b2 134}-11.872 -11.127 -3.711
{ca ala b2 135}-8.393 -11.187 -2.178
{ca gly b2 136}-8.189 -14.868 -3.08
{ca val b2 137}-9.214 -14.229 -6.672
{ca ala b2 138}-6.762 -11.321 -7.037
{ca asn b2 139}-4.094 -13.605 -5.676
{ca ala b2 140}-4.951 -16.393 -8.008
{ca leu b2 141}-4.875 -14.066 -10.991
{ca ala b2 142}-1.476 -12.686 -9.994
{ca his b2 143}0.085 -16.044 -9.3
{ca lys b2 144}1.667 -16.718 -12.668
{ca tyr b2 145}3.231 -13.27 -13.18
{ca his b 146}6.973 -13.067 -13.956

@balllist {mco} color= red radius= .2
{o val b 98} -1.354 -6.988 -14.721
{o his b 146} 6.408 -11.378 -15.522
{oxt his b 146} 8.512 -11.497 -15.006
@vectorlist {mc} color= cyan 
{ca val b 98}P -2.21 -5.778 -16.599 {c val b 98}-1.528 -5.885 -15.234
{o val b 98}-1.354 -6.988 -14.721
{c val b 98}P -1.528 -5.885 -15.234 {ca asp b2 99}-0.605 -4.722 -13.296
{ca his b 146}P 6.973 -13.067 -13.956
{c his b 146}7.348 -11.911 -14.904
{o his b 146}6.408 -11.378 -15.522
{c his b 146}P 7.348 -11.911 -14.904 {oxt his b 146}8.512 -11.497 -15.006
@subgroup {sc Beta2} dominant master= {beta2}
@balllist {scn} color= blue radius= .2
{nd1 his b 146} 7.673 -15.464 -16.897
{ne2 his b 146} 5.895 -14.661 -18.048
@balllist {sco} color= red radius= .2
{od1 asp b 94} 3.785 -13.867 -19.688
{od2 asp b 94} 3.012 -15.71 -20.545
{oh tyr b 145} -1.797 -9.585 -14.928
@vectorlist {B2 sc} color= green 
{ca asp b 94}P 2.099 -12.21 -20.976 {cb asp b 94}2.194 -13.666 -21.433
{cg asp b 94}3.062 -14.478 -20.479
{od1 asp b 94}3.785 -13.867 -19.688
{cg asp b 94}P 3.062 -14.478 -20.479 {od2 asp b 94}3.012 -15.71 -20.545
{ca val b 98}P -2.21 -5.778 -16.599 {cb val b 98}-3.601 -6.416 -16.539
{cg1 val b 98}-4.436 -5.888 -15.37
{cb val b 98}P -3.601 -6.416 -16.539 {cg2 val b 98}-4.349 -6.252 -17.863
{ca tyr b 145}P 3.231 -13.27 -13.18 {cb tyr b 145}2.78 -11.966 -12.508
{cg tyr b 145}1.54 -11.313 -13.153
{cd1 tyr b 145}1.65 -10.086 -13.779
{ce1 tyr b 145}0.537 -9.493 -14.365
{cz tyr b 145}-0.696 -10.138 -14.318
{oh tyr b 145}-1.797 -9.585 -14.928
{cg tyr b 145}P 1.54 -11.313 -13.153 {cd2 tyr b 145}0.312 -11.942 -13.105
{ce2 tyr b 145}-0.806 -11.36 -13.686
{cz tyr b 145}-0.696 -10.138 -14.318
{ca his b 146}P 6.973 -13.067 -13.956 {cb his b 146}7.329 -14.437 -14.548
{cg his b 146}6.921 -14.663 -16.024
{nd1 his b 146}7.673 -15.464 -16.897
{ce1 his b 146}7.036 -15.46 -18.152
{ne2 his b 146}5.895 -14.661 -18.048
{ne2 his b 146}P 5.895 -14.661 -18.048 {ce1 his b 146}7.036 -15.46 -18.152
{cg his b 146}P 6.921 -14.663 -16.024 {cd2 his b 146}5.829 -14.177 -16.733
{ne2 his b 146}5.895 -14.661 -18.048
{ce1 his b 146}7.036 -15.46 -18.152
@labellist {lb} color= sea master= {labels}
{ D}2.194 -13.666 -21.433
{ V}-3.601 -6.416 -16.539
{ Y}2.78 -11.966 -12.508
{ H}7.329 -14.437 -14.548
@vectorlist {heme b2} color=sky 
{fe hem b 2}P -9.401 -9.297 -17.375 {n a hem b 2} -10.318 -10.836 -18.457
{c1a hem b 2}-10.356 -10.944 -19.837
{n a hem b 2} P -10.318 -10.836 -18.457 {c4a hem b 2} -11.024 -11.902 -17.979
{c3a hem b 2}-11.508 -12.718 -19.074
{c4d hem b 2}P -9.25 -8.773 -20.422 {cha hem b 2} -9.791 -10.028 -20.746
{c1a hem b 2} -10.356 -10.944 -19.837
{c2a hem b 2} -11.111 -12.117 -20.243
{c3a hem b 2} -11.508 -12.718 -19.074
{cma hem b 2} -12.428 -13.915 -18.932
{chb hem b 2} P -11.216 -12.152 -16.612 {c4a hem b 2} -11.024 -11.902 -17.979
{c2a hem b 2} P -11.111 -12.117 -20.243 {caa hem b 2} -11.24 -12.645 -21.667
{cba hem b 2} -10.026 -13.494 -22.084
{cga hem b 2}-10.017 -14.08 -23.474
{o1a hem b 2}-10.445 -13.418 -24.415
{cga hem b 2} P -10.017 -14.08 -23.474 {o2a hem b 2} -9.565 -15.19 -23.71
{fe hem b 2} P -9.401 -9.297 -17.375 {n b hem b 2} -10.311 -10.036 -15.722
{c1b hem b 2}-10.906 -11.264 -15.571
{n b hem b 2} P -10.311 -10.036 -15.722 {c4b hem b 2} -10.28 -9.514 -14.454
{c3b hem b 2}-10.762 -10.462 -13.473
{chb hem b 2} P -11.216 -12.152 -16.612 {c1b hem b 2} -10.906 -11.264 -15.571
{c2b hem b 2}-11.149 -11.55 -14.182
{c3b hem b 2}-10.762 -10.462 -13.473
{cab hem b 2}-10.901 -10.179 -12.009
{cbb hem b 2}-12.085 -10.332 -11.331
{chc hem b 2}P -9.815 -8.25 -14.128 {c4b hem b 2}-10.28 -9.514 -14.454
{c2b hem b 2}P -11.149 -11.55 -14.182 {cmb hem b 2}-11.881 -12.779 -13.699
{fe hem b 2}P -9.401 -9.297 -17.375 {n c hem b 2}-9.151 -7.526 -16.386
{c1c hem b 2}-9.316 -7.311 -15.029
{n c hem b 2}P -9.151 -7.526 -16.386 {c4c hem b 2}-8.615 -6.35 -16.87
{c3c hem b 2}-8.492 -5.364 -15.818
{chc hem b 2}P -9.815 -8.25 -14.128 {c1c hem b 2}-9.316 -7.311 -15.029
{c2c hem b 2}-8.933 -5.959 -14.665
{c3c hem b 2}-8.492 -5.364 -15.818
{cac hem b 2}-7.89 -4.013 -16.021
{cbc hem b 2}-8.404 -2.869 -15.433
{chd hem b 2}P -8.262 -6.123 -18.207 {c4c hem b 2}-8.615 -6.35 -16.87
{c2c hem b 2}P -8.933 -5.959 -14.665 {cmc hem b 2}-9.109 -5.303 -13.306
{fe hem b 2}P -9.401 -9.297 -17.375 {n d hem b 2}-9.137 -8.253 -19.134
{c1d hem b 2}-8.55 -7.009 -19.261
{n d hem b 2}P -9.137 -8.253 -19.134 {c4d hem b 2}-9.25 -8.773 -20.422
{c3d hem b 2}-8.744 -7.806 -21.384
{chd hem b 2}P -8.262 -6.123 -18.207 {c1d hem b 2}-8.55 -7.009 -19.261
{c2d hem b 2}-8.321 -6.726 -20.655
{c3d hem b 2}-8.744 -7.806 -21.384
{cad hem b 2}-8.814 -7.878 -22.893
{cbd hem b 2}-10.179 -7.502 -23.454
{cgd hem b 2}-10.159 -7.564 -24.906
{o1d hem b 2}-10.81 -6.736 -25.501
{cgd hem b 2}P -10.159 -7.564 -24.906 {o2d hem b 2}-9.521 -8.215 -25.671
{c2d hem b 2}P -8.321 -6.726 -20.655 {cmd hem b 2}-7.733 -5.44 -21.194
@subgroup dominant {h-bonds} master= {h-bonds}
@vectorlist {drawn lines} color=purple 
{oxt his b 146}P U 9.073 -11.157 -15.25 {nz lys a 40}U 9.754 -10.742 -15.548
{od1 asp b 94}P U 4.315 -14.066 -19.276 {ne2 his b 146}U 5.365 -14.462 -18.46
{oh tyr b 145}P U -1.68 -8.897 -14.873 {o val b 98}U -1.471 -7.676 -14.776
@group {oxy} animate dominant
@subgroup dominant {alpha1} master= {alpha1}
@vectorlist {ca-ca} color=pinktint 
{ca val a1 1}P 5.66 17.22 7.28 {ca leu a1 2}9. 17.66 5.6
{ca ser a1 3}10.76 19.58 8.34
{ca pro a1 4}13.47 22.26 8.79
{ca ala a1 5}15.93 19.46 9.24
{ca asp a1 6}14.86 16.73 6.81
{ca lys a1 7}15.21 19.5 4.19
{ca thr a1 8}18.82 19.64 5.35
{ca asn a1 9}19.72 15.97 5.27
{ca val a1 10}18.57 15.87 1.65
{ca lys a1 11}20.07 19.18 0.54
{ca ala a1 12}23.2 17.46 1.89
{ca ala a1 13}23.02 13.82 0.97
{ca trp a1 14}22.32 14.88 -2.59
{ca gly a1 15}25.13 17.57 -2.02
{ca lys a1 16}27.67 14.77 -2.09
{ca val a1 17}26.07 12.48 -4.66
{ca gly a1 18}26.58 15.17 -7.27
{ca ala a1 19}28.68 14.55 -10.5
{ca his a1 20}27.03 11.14 -10.18
{ca ala a1 21}23.27 11.69 -9.96
{ca gly a1 22}23.04 10.3 -13.49
{ca glu a1 23}24.88 7.01 -13.11
{ca tyr a1 24}22.75 6.61 -9.98
{ca gly a1 25}19.29 7.31 -11.38
{ca ala a1 26}20.05 4.65 -13.99
{ca glu a1 27}21.5 2.09 -11.59
{ca ala a1 28}18.11 2.38 -9.91
{ca leu a1 29}15.95 1.81 -12.99
{ca glu a1 30}18.1 -1.26 -13.62
{ca arg a1 31}17.34 -2.45 -10.09
{ca met a1 32}13.59 -1.85 -10.29
{ca phe a1 33}13.45 -3.48 -13.73
{ca leu a1 34}15.3 -6.53 -12.41
{ca ser a1 35}13.63 -7.03 -9.03
{ca phe a1 36}10.03 -6.03 -9.64
{ca pro a1 37}9.67 -7.29 -13.24
{ca thr a1 38}6.13 -5.93 -13.3
{ca thr a1 39}7.27 -2.4 -14.1
{ca lys a1 40}8.82 -3.44 -17.41
{ca thr a1 41}5.3 -3.16 -18.79
{ca tyr a1 42}5.92 0.63 -19.4
{ca phe a1 43}9.36 0.69 -21.12
{ca pro a1 44}8.48 -1.72 -23.96
{ca his a1 45}10.61 0.56 -26.07
{ca phe a1 46}13.71 0.14 -23.83
{ca asp a1 47}16.61 -2.72 -24.
{ca leu a1 48}15.81 -2.92 -20.27
{ca ser a1 49}19.17 -4.46 -20.94
{ca his a1 50}22.24 -3.74 -18.8
{ca gly a1 51}24.49 -1.38 -20.77
{ca ser a1 52}21.35 -0.17 -22.54
{ca ala a1 53}21.87 3.47 -23.52
{ca gln a1 54}18.18 4.24 -23.1
{ca val a1 55}18.12 3.31 -19.42
{ca lys a1 56}21.46 5.11 -19.03
{ca gly a1 57}19.88 8.05 -20.83
{ca his a1 58}16.82 8.04 -18.58
{ca gly a1 59}18.79 7.86 -15.32
{ca lys a1 60}19.9 11.3 -16.35
{ca lys a1 61}16.24 12.32 -16.55
{ca val a1 62}14.96 10.79 -13.33
{ca ala a1 63}18.03 12.27 -11.71
{ca asp a1 64}17.43 15.69 -13.21
{ca ala a1 65}13.93 15.81 -11.82
{ca leu a1 66}14.96 14.52 -8.4
{ca thr a1 67}17.26 17.49 -8.16
{ca asn a1 68}14.77 20.18 -9.15
{ca ala a1 69}12.73 18.7 -6.34
{ca val a1 70}15.65 18.85 -3.9
{ca ala a1 71}15.91 22.45 -5.08
{ca his a1 72}12.36 23.8 -4.89
{ca val a1 73}11.52 21.35 -2.09
{ca asp a1 74}9.51 23.92 -0.11
{ca asp a1 75}7.15 23.7 -3.06
{ca met a1 76}7.23 20.5 -5.08
{ca pro a1 77}3.68 21.04 -6.32
{ca asn a1 78}4.77 23.73 -8.77
{ca ala a1 79}8.05 22.53 -10.04
{ca leu a1 80}7.16 18.94 -10.69
{ca ser a1 81}3.84 19.64 -12.38
{ca ala a1 82}4.33 18.34 -15.99
{ca leu a1 83}5.89 15.13 -14.68
{ca ser a1 84}2.74 14.95 -12.58
{ca asp a1 85}0.33 15.02 -15.52
{ca leu a1 86}2.56 12.97 -17.81
{ca his a1 87}2.98 10.24 -15.2
{ca ala a1 88}-0.67 10.5 -14.19
{ca his a1 89}-2.57 11.76 -17.22
{ca lys a1 90}-0.61 10.57 -20.26
{ca leu a1 91}0.9 7.33 -18.95
{ca arg a1 92}-1.13 6.05 -16.02
{ca val a1 93}1.53 4.53 -13.8
{ca asp a1 94}0.02 2.45 -11.
{ca pro a1 95}1.09 4.48 -7.98
{ca val a1 96}2.44 1.46 -6.12
{ca asn a1 97}5.26 1.8 -8.64
{ca phe a1 98}6.59 4.99 -7.05
{ca lys a1 99}6.96 3.15 -3.76
{ca leu a1 100}9.34 0.76 -5.5
{ca leu a1 101}11.62 3.06 -7.49
{ca ser a1 102}11.56 5.06 -4.28
{ca his a1 103}13.12 1.99 -2.69
{ca cys a1 104}15.68 1.04 -5.32
{ca leu a1 105}16.76 4.68 -5.28
{ca leu a1 106}17.59 4.27 -1.59
{ca val a1 107}19.26 0.89 -2.06
{ca thr a1 108}21.42 3. -4.32
{ca leu a1 109}22.26 6.04 -2.18
{ca ala a1 110}23.02 3.26 0.3
{ca ala a1 111}25.4 1.28 -1.91
{ca his a1 112}27.42 4.22 -3.22
{ca leu a1 113}27.22 6.26 -0.03
{ca pro a1 114}27.96 4.71 3.36
{ca ala a1 115}29.08 7.33 5.88
{ca glu a1 116}26.57 10. 4.94
{ca phe a1 117}23.85 7.34 4.86
{ca thr a1 118}23.2 7.38 8.61
{ca pro a1 119}19.85 6.23 9.96
{ca ala a1 120}18.46 9.74 10.42
{ca val a1 121}19.33 10.44 6.8
{ca his a1 122}17.88 7.13 5.65
{ca ala a1 123}14.66 8.53 7.08
{ca ser a1 124}14.82 11.96 5.45
{ca leu a1 125}15.63 10.59 1.99
{ca asp a1 126}12.63 8.32 2.49
{ca lys a1 127}10.49 11.23 3.66
{ca phe a1 128}11.74 13.21 0.68
{ca leu a1 129}10.73 10.61 -1.9
{ca ala a1 130}7.43 9.77 -0.26
{ca ser a1 131}6.73 13.41 -1.12
{ca val a1 132}7.91 13.27 -4.72
{ca ser a1 133}5.51 10.38 -5.3
{ca thr a1 134}2.61 12.08 -3.54
{ca val a1 135}3.16 15.07 -5.93
{ca leu a1 136}3.62 12.57 -8.81
{ca thr a1 137}0.35 10.89 -8.02
{ca ser a1 138}-1.99 13.86 -7.41
{ca lys a1 139}-4.14 14.47 -10.48
{ca tyr a1 140}-4.81 10.98 -9.19
{ca arg a1 141}-6.16 11.66 -5.71
@subgroup {sc Alpha1} dominant master= {alpha1}
@balllist {scn} color= blue radius= .2
{nz lys a 40} 12.75 -7.96 -16.65
@vectorlist {sc} color= yellow 
{ca lys a 40}P 8.82 -3.44 -17.41 {cb lys a 40}9.35 -4.82 -17.76
{cg lys a 40}10.26 -5.44 -16.71
{cd lys a 40}11.58 -5.89 -17.32
{ce lys a 40}11.65 -7.4 -17.46
{nz lys a 40}12.75 -7.96 -16.65
@labellist {lb} color= gold master= {labels}
{ K}9.35 -4.82 -17.76
@subgroup dominant {beta2} master= {beta2}
@vectorlist {ca-ca} color=pink 
{ca val b2 1}P -10.31 -19.76 3.68 {ca his b2 2}-12.3 -20.98 6.68
{ca leu b2 3}-15.62 -19.14 6.67
{ca thr b2 4}-17.27 -20.31 9.88
{ca pro b2 5}-20.41 -22.35 9.24
{ca glu b2 6}-22.03 -19.03 10.08
{ca glu b2 7}-20.13 -16.69 7.77
{ca lys b2 8}-20.42 -19.31 5.03
{ca ser b2 9}-24.16 -18.67 5.08
{ca ala b2 10}-24.63 -14.91 5.1
{ca val b2 11}-22.3 -15.11 2.09
{ca thr b2 12}-23.9 -17.96 0.17
{ca ala b2 13}-27.21 -16.19 0.76
{ca leu b2 14}-26.68 -12.69 -0.61
{ca trp b2 15}-25.14 -14.12 -3.78
{ca gly b2 16}-28.01 -15.88 -5.55
{ca lys b2 17}-29.95 -12.72 -4.81
{ca val b2 18}-27.15 -11.47 -7.03
{ca asn b2 19}-27.83 -10.35 -10.6
{ca val b2 20}-24.38 -11.33 -11.85
{ca asp b2 21}-24.6 -10.03 -15.42
{ca glu b2 22}-25.18 -6.51 -14.15
{ca val b2 23}-23.05 -6.47 -11.01
{ca gly b2 24}-20.14 -8.18 -12.74
{ca gly b2 25}-19.94 -4.77 -14.4
{ca glu b2 26}-21.04 -1.96 -12.12
{ca ala b2 27}-17.79 -3.23 -10.62
{ca leu b2 28}-15.27 -3.26 -13.46
{ca gly b2 29}-17.05 -0.06 -14.46
{ca arg b2 30}-16.31 1.58 -11.12
{ca leu b2 31}-12.72 0.37 -11.03
{ca leu b2 32}-11.56 2.16 -14.18
{ca val b2 33}-13.34 5.29 -12.94
{ca val b2 34}-12.14 5.35 -9.35
{ca tyr b2 35}-8.75 3.8 -10.07
{ca pro b2 36}-7.62 4.9 -13.53
{ca trp b2 37}-4.24 3.28 -14.13
{ca thr b2 38}-6.32 0.13 -14.57
{ca gln b2 39}-7.38 1.69 -17.87
{ca arg b2 40}-3.92 1.05 -19.29
{ca phe b2 41}-5.05 -2.58 -19.59
{ca phe b2 42}-8.37 -2.2 -21.39
{ca glu b2 43}-7.51 -0.03 -24.4
{ca ser b2 44}-8.33 -3.14 -26.44
{ca phe b2 45}-11.51 -1.44 -25.28
{ca gly b2 46}-13.39 1.75 -26.21
{ca asp b2 47}-14. 5.3 -24.99
{ca leu b2 48}-13.18 5.08 -21.28
{ca ser b2 49}-12.89 8.86 -20.67
{ca thr b2 50}-15.92 10.27 -18.86
{ca pro b2 51}-17.69 7.93 -16.39
{ca asp b2 52}-20.86 7.47 -18.42
{ca ala b2 53}-19.02 5.93 -21.37
{ca val b2 54}-17.63 3.11 -19.28
{ca met b2 55}-20.69 2.02 -17.3
{ca gly b2 56}-22.34 1.58 -20.7
{ca asn b2 57}-19.46 -0.05 -22.57
{ca pro b2 58}-21.24 -3.15 -23.71
{ca lys b2 59}-17.6 -4.16 -23.59
{ca val b2 60}-17.06 -3.41 -19.89
{ca lys b2 61}-20.43 -4.97 -19.13
{ca ala b2 62}-19.34 -8.09 -20.98
{ca his b2 63}-15.95 -8.8 -19.41
{ca gly b2 64}-17.49 -8.16 -15.99
{ca lys b2 65}-19.84 -11.08 -16.44
{ca lys b2 66}-16.77 -13.29 -16.9
{ca val b2 67}-15.64 -11.95 -13.57
{ca leu b2 68}-18.56 -12.26 -11.17
{ca gly b2 69}-17.81 -15.39 -13.19
{ca ala b2 70}-14.9 -16.54 -11.11
{ca phe b2 71}-15.91 -15.1 -7.69
{ca ser b2 72}-18.64 -17.66 -8.3
{ca asp b2 73}-16.17 -20.48 -8.93
{ca gly b2 74}-14.65 -19.21 -5.68
{ca leu b2 75}-17.59 -18.19 -3.47
{ca ala b2 76}-17.75 -21.98 -3.34
{ca his b2 77}-14.64 -23.97 -4.12
{ca leu b2 78}-13.4 -21.97 -1.12
{ca asp b2 79}-11.26 -24.97 -0.48
{ca asn b2 80}-8.26 -24.41 -2.74
{ca leu b2 81}-9.39 -20.86 -3.61
{ca lys b2 82}-5.81 -21.6 -4.66
{ca gly b2 83}-6.35 -24.01 -7.57
{ca thr b2 84}-9.61 -22.85 -9.13
{ca phe b2 85}-7.27 -20. -10.04
{ca ala b2 86}-3.89 -21.25 -11.24
{ca thr b2 87}-4.58 -20.43 -14.89
{ca leu b2 88}-5.99 -16.93 -14.41
{ca ser b2 89}-3.13 -16.03 -12.09
{ca glu b2 90}-0.76 -17.43 -14.69
{ca leu b2 91}-2.86 -15.12 -16.84
{ca his b2 92}-3.02 -12.01 -14.71
{ca cys b2 93}0.54 -12.31 -13.42
{ca asp b2 94}3.08 -13.39 -15.97
{ca lys b2 95}0.98 -12.34 -18.95
{ca leu b2 96}-0.43 -8.87 -18.29
{ca his b2 97}1.64 -8.24 -15.17
{ca val b2 98}-1.12 -6.63 -13.12
{ca asp b2 99}P 0.5 -5.73 -9.81 {ca pro b2 100}-1.2 -7.69 -7.03
{ca glu b2 101}-2.84 -4.86 -5.09
{ca asn b2 102}-5.06 -3.99 -8.04
{ca phe b2 103}-6.41 -7.39 -7.01
{ca arg b2 104}-7.56 -5.92 -3.73
{ca leu b2 105}-8.93 -2.69 -5.15
{ca leu b2 106}-11.21 -4.87 -7.26
{ca gly b2 107}-12.71 -7.16 -4.63
{ca asn b2 108}-12.78 -4.03 -2.47
{ca val b2 109}-14.95 -2.07 -4.9
{ca leu b2 110}-16.93 -5.23 -5.57
{ca val b2 111}-17.94 -4.96 -1.92
{ca cys b2 112}-18.86 -1.29 -2.27
{ca val b2 113}-21.16 -2.62 -4.98
{ca leu b2 114}-22.54 -5.56 -3.02
{ca ala b2 115}-23.37 -2.92 -0.42
{ca his b2 116}-24.75 -0.33 -2.82
{ca his b2 117}-27.25 -2.91 -4.05
{ca phe b2 118}-28.47 -4.68 -0.92
{ca gly b2 119}-28.44 -1.68 1.4
{ca lys b2 120}-29.25 -2.41 5.03
{ca glu b2 121}-28.93 -6.17 4.7
{ca phe b2 122}-25.19 -6. 4.12
{ca thr b2 123}-25.02 -5.81 7.92
{ca pro b2 124}-21.37 -5.61 8.96
{ca pro b2 125}-20.74 -9.16 10.16
{ca val b2 126}-22.02 -9.82 6.65
{ca gln b2 127}-19.44 -7.59 4.98
{ca ala b2 128}-16.76 -8.88 7.34
{ca ala b2 129}-17.15 -12.26 5.77
{ca tyr b2 130}-16.77 -10.86 2.25
{ca gln b2 131}-13.53 -9.1 3.03
{ca lys b2 132}-12.41 -12.64 3.82
{ca val b2 133}-13.5 -14.37 0.63
{ca val b2 134}-12.18 -11.43 -1.35
{ca ala b2 135}-8.83 -11.18 0.45
{ca gly b2 136}-8.84 -14.9 -0.31
{ca val b2 137}-9.6 -14.69 -4.05
{ca ala b2 138}-6.84 -12.1 -4.1
{ca asn b2 139}-4.14 -14.1 -2.34
{ca ala b2 140}-5.02 -16.77 -4.95
{ca leu b2 141}-4.56 -14.92 -8.27
{ca ala b2 142}-1.44 -13.41 -6.92
{ca his b2 143}0.21 -16.82 -6.1
{ca lys b2 144}2.76 -16.71 -8.93
{ca tyr b2 145}4.74 -13.64 -7.88
{ca his b 146}6.51 -16.26 -5.78

@balllist {mco} color= red radius= .2
{o val b 98} .06 -7.92 -11.46
{o his b 146} 6.63 -17.9 -7.55
{oxt his b 146} 8.57 -17.17 -6.65
@vectorlist {mc} color= pink 
{ca val b 98}P -1.12 -6.63 -13.12 {c val b 98}-0.37 -6.81 -11.81
{o val b 98}0.06 -7.92 -11.46
{c val b 98}P -0.37 -6.81 -11.81 {ca asp b2 99}0.5 -5.73 -9.81
{ca his b 146}P 6.51 -16.26 -5.78
{c his b 146}7.25 -17.19 -6.74
{o his b 146}6.63 -17.9 -7.55
{c his b 146}P 7.25 -17.19 -6.74 {oxt his b 146}8.57 -17.17 -6.65
@subgroup {sc Beta2} dominant master= {beta2}
@balllist {scn} color= blue radius= .2
{nd1 his b 146} 4.17 -14.98 -4.66
{ne2 his b 146} 2.7 -15.52 -3.2
@balllist {sco} color= red radius= .2
{od1 asp b 94} 1.78 -15.86 -15.56
{od2 asp b 94} 3.48 -16.63 -14.62
{oh tyr b 145} 1.55 -9.27 -11.44
@vectorlist {sc} color= yellow 
{ca asp b 94}P 3.08 -13.39 -15.97 {cb asp b 94}3.88 -14.69 -15.78
{cg asp b 94}2.96 -15.78 -15.29
{od1 asp b 94}1.78 -15.86 -15.56
{cg asp b 94}P 2.96 -15.78 -15.29 {od2 asp b 94}3.48 -16.63 -14.62
{ca val b 98}P -1.12 -6.63 -13.12 {cb val b 98}-2.58 -7.09 -13.17
{cg1 val b 98}-3.52 -6.38 -12.16
{cb val b 98}P -2.58 -7.09 -13.17 {cg2 val b 98}-3.14 -7.08 -14.57
{ca tyr b 145}P 4.74 -13.64 -7.88 {cb tyr b 145}3.98 -12.42 -7.35
{cg tyr b 145}3.3 -11.6 -8.46
{cd1 tyr b 145}4.12 -10.97 -9.41
{ce1 tyr b 145}3.49 -10.19 -10.46
{cz tyr b 145}2.15 -10.03 -10.46
{oh tyr b 145}1.55 -9.27 -11.44
{cg tyr b 145}P 3.3 -11.6 -8.46 {cd2 tyr b 145}1.94 -11.43 -8.49
{ce2 tyr b 145}1.31 -10.66 -9.52
{cz tyr b 145}2.15 -10.03 -10.46
{ca his b 146}P 6.51 -16.26 -5.78 {cb his b 146}5.71 -16.99 -4.7
{cg his b 146}4.5 -16.24 -4.2
{nd1 his b 146}4.17 -14.98 -4.66
{ce1 his b 146}3.08 -14.57 -4.03
{ne2 his b 146}2.7 -15.52 -3.2
{ne2 his b 146}P 2.7 -15.52 -3.2 {ce1 his b 146}3.08 -14.57 -4.03
{cg his b 146}P 4.5 -16.24 -4.2 {cd2 his b 146}3.57 -16.56 -3.26
{ne2 his b 146}2.7 -15.52 -3.2
{ce1 his b 146}3.08 -14.57 -4.03
@labellist {lb} color= gold master= {labels}
{ D}3.88 -14.69 -15.78
{ V}-2.58 -7.09 -13.17
{ Y}3.98 -12.42 -7.35
{ H}5.71 -16.99 -4.7
@vectorlist {heme b2} color=hotpink 
{fe hem b 2}P -8.8 -9.89 -14.74 {n a hem b 2}-9.85 -11.35 -15.67
{cha hem b 2}P -9.25 -10.86 -17.99 {c1a hem b 2}-9.85 -11.63 -17.02
{c1a hem b 2}P -9.85 -11.63 -17.02 {c2a hem b 2}-10.59 -12.86 -17.26
{c2a hem b 2}P -10.59 -12.86 -17.26 {c3a hem b 2}-11.02 -13.31 -16.07
{chb hem b 2}P -10.8 -12.47 -13.71 {c4a hem b 2}-10.56 -12.36 -15.06
{c3a hem b 2}P -11.02 -13.31 -16.07 {cma hem b 2}-11.83 -14.56 -15.85
{c2a hem b 2}P -10.59 -12.86 -17.26 {caa hem b 2}-10.83 -13.53 -18.59
{caa hem b 2}P -10.83 -13.53 -18.59 {cba hem b 2}-10.26 -14.91 -18.52
{cba hem b 2}P -10.26 -14.91 -18.52 {cga hem b 2}-10.78 -15.69 -19.74
{cga hem b 2}P -10.78 -15.69 -19.74 {o1a hem b 2}-10.24 -16.74 -20.06
{cga hem b 2}P -10.78 -15.69 -19.74 {o2a hem b 2}-11.68 -15.29 -20.37
{fe hem b 2}P -8.8 -9.89 -14.74 {n b hem b 2}-9.63 -10.45 -12.99
{chb hem b 2}P -10.8 -12.47 -13.71 {c1b hem b 2}-10.37 -11.59 -12.75
{c1b hem b 2}P -10.37 -11.59 -12.75 {c2b hem b 2}-10.63 -11.71 -11.33
{c2b hem b 2}P -10.63 -11.71 -11.33 {c3b hem b 2}-10.06 -10.66 -10.73
{chc hem b 2}P -8.73 -8.69 -11.54 {c4b hem b 2}-9.43 -9.86 -11.76
{c2b hem b 2}P -10.63 -11.71 -11.33 {cmb hem b 2}-11.4 -12.81 -10.63
{c3b hem b 2}P -10.06 -10.66 -10.73 {cab hem b 2}-10.08 -10.38 -9.24
{cab hem b 2}P -10.08 -10.38 -9.24 {cbb hem b 2}-11.04 -10.88 -8.47
{fe hem b 2}P -8.8 -9.89 -14.74 {n c hem b 2}-8.13 -8.21 -13.87
{chc hem b 2}P -8.73 -8.69 -11.54 {c1c hem b 2}-8.13 -7.93 -12.51
{c1c hem b 2}P -8.13 -7.93 -12.51 {c2c hem b 2}-7.39 -6.7 -12.28
{c2c hem b 2}P -7.39 -6.7 -12.28 {c3c hem b 2}-6.97 -6.25 -13.46
{chd hem b 2}P -7.18 -7.08 -15.82 {c4c hem b 2}-7.42 -7.19 -14.47
{c2c hem b 2}P -7.39 -6.7 -12.28 {cmc hem b 2}-7.15 -6.03 -10.94
{c3c hem b 2}P -6.97 -6.25 -13.46 {cac hem b 2}-6.15 -4.99 -13.69
{cac hem b 2}P -6.15 -4.99 -13.69 {cbc hem b 2}-6.5 -4.13 -14.64
{fe hem b 2}P -8.8 -9.89 -14.74 {n d hem b 2}-8.35 -9.11 -16.54
{chd hem b 2}P -7.18 -7.08 -15.82 {c1d hem b 2}-7.61 -7.97 -16.78
{c1d hem b 2}P -7.61 -7.97 -16.78 {c2d hem b 2}-7.35 -7.85 -18.21
{c2d hem b 2}P -7.35 -7.85 -18.21 {c3d hem b 2}-7.92 -8.89 -18.81
{cha hem b 2}P -9.25 -10.86 -17.99 {c4d hem b 2}-8.55 -9.7 -17.77
{c2d hem b 2}P -7.35 -7.85 -18.21 {cmd hem b 2}-6.58 -6.75 -18.9
{c3d hem b 2}P -7.92 -8.89 -18.81 {cad hem b 2}-7.91 -9.17 -20.29
{cad hem b 2}P -7.91 -9.17 -20.29 {cbd hem b 2}-7.58 -10.65 -20.55
{cbd hem b 2}P -7.58 -10.65 -20.55 {cgd hem b 2}-6.51 -10.76 -21.65
{cgd hem b 2}P -6.51 -10.76 -21.65 {o1d hem b 2}-6.49 -9.88 -22.52
{cgd hem b 2}P -6.51 -10.76 -21.65 {o2d hem b 2}-5.74 -11.73 -21.62
{fe hem b 2}P -8.8 -9.89 -14.74 {c hem b 2}-10.09 -8.65 -14.88
{c hem b 2}P -10.09 -8.65 -14.88 {o hem b 2}-11.02 -7.75 -14.98
{n a hem b 2}P -9.85 -11.35 -15.67 {c1a hem b 2}-9.85 -11.63 -17.02
{n a hem b 2}P -9.85 -11.35 -15.67 {c4a hem b 2}-10.56 -12.36 -15.06
{c3a hem b 2}P -11.02 -13.31 -16.07 {c4a hem b 2}-10.56 -12.36 -15.06
{n b hem b 2}P -9.63 -10.45 -12.99 {c1b hem b 2}-10.37 -11.59 -12.75
{n b hem b 2}P -9.63 -10.45 -12.99 {c4b hem b 2}-9.43 -9.86 -11.76
{c3b hem b 2}P -10.06 -10.66 -10.73 {c4b hem b 2}-9.43 -9.86 -11.76
{n c hem b 2}P -8.13 -8.21 -13.87 {c1c hem b 2}-8.13 -7.93 -12.51
{n c hem b 2}P -8.13 -8.21 -13.87 {c4c hem b 2}-7.42 -7.19 -14.47
{c3c hem b 2}P -6.97 -6.25 -13.46 {c4c hem b 2}-7.42 -7.19 -14.47
{n d hem b 2}P -8.35 -9.11 -16.54 {c1d hem b 2}-7.61 -7.97 -16.78
{n d hem b 2}P -8.35 -9.11 -16.54 {c4d hem b 2}-8.55 -9.7 -17.77
{c3d hem b 2}P -7.92 -8.89 -18.81 {c4d hem b 2}-8.55 -9.7 -17.77
@subgroup dominant {h-bonds} master= {h-bonds}
@vectorlist {drawn lines} color=purple 
{oh tyr b 145}P U 1.031 -8.8 -11.447 {o val b 98}U 0.579 -8.39 -11.453