@text
Kinemage Supplement to Branden & Tooze "Introduction to Protein Structure", Second Edition
Chapter 6 -  FOLDING AND FLEXIBILITY

		Contents of file c6FldFlx.kin:
*{Kin 1}* Barnase - Calphas and some folding-study mutants (Fig. 6.4)
*{Kin 2}* Disulfide-bond isomerase: domains, SS, & surface (Fig. 6.8)
*{Kin 3}* Animation of cis-trans peptide isomerization (Fig. 6.9)
*{Kin 4}* Cyclophilin (Pro isomerase), with cis Ala-Pro bound (Fig. 6.10)
*{Kin 5}* Animation of GroEL vs GroEL/GroES chaperonin complexes (Fig. 6.13)
*{Kin 6}* Conformational changes of domains in a GroEL subunit (Fig. 6.12a)
*{Kin 7}* Animation of conformational change in hexokinase, on sugar binding
*{Kin 8}* Conformational changes in CDK2 upon binding by cyclin (Fig. 6.17)
*{Kin 9}* Calmodulin - animation of motion on peptide binding (Fig. 6.21)
*{Kin 10}* Alpha-1 antitrypsin, intact vs cleaved forms (Fig. 6.23a,b,6.22)
*{Kin 11}* Allostery in phosphofructokinase (Fig. 6.25-6.27)
*{Kin 12}*, *{Kin 13}* An exercise in looking at protein motions - LDH, MBP

   *{Kinemage 1}* shows the backbone and secondary-structure elements of barnase (the name comes from Bacillus Amyloliquifaciens RiboNucleASE), a small protein with a simple, one-intermediate folding pathway.  The startup view matches Fig. 6.4, but turned vertically; substrate binds in the broad cavity at lower left front.
    Choose View2 or View3 and animate, to see the sidechains and positions of a few of the mutants used to study its folding.  Changes to Leu 14, Ile 88, Ile 96 and others showed that specific interactions within and between the 5-stranded beta sheet and the N-terminal alpha-helix were already present in the molten-globule intermediate.  However, changing Tyr 78 to Phe affected the native but not the intermediate state, showing that the details of that loop (such as the sidechain to mainchain Hbond shown in purple) were not yet formed in the intermediate.   

   *{Kinemage 2}* shows the Calpha backbone of DsbA, a prokaryotic disulfide-bond isomerase, with the active SS in yellow and the domains color-coded: the N-terminal tail pale blue, the thioredoxin-like domain in white with pink beta strands, and the 5-helix domain in pale green.
   Animate for a tour, first a view of the Trx domain to compare with the thioredoxin structure in Fig. 2.7 or kinemage 2.2.  Then a closeup of the DsbA active SS, emphasizing its C-x-x-C sequence and its position across the first turn of an alpha-helix.  Last, sidechains on the molecular surface surrounding the active SS of DsbA (hydrophobics in gold, polars in cyan).  This region has no charges and more surface-exposed hydrophobics than usual, which presumably facilitates interaction with partially-folded proteins that need help rearranging incorrect disulfides.

   *{Kinemage 3}* is an animation of a cisPro-to-trans difference between related proteins that have no relative insertion or deletion in sequence (a rather rare occurrence).  In erythrocruorin, the peptide bond between Leu 73 and Pro 74 is cis (shown in hotpink), while in myoglobin the homologous bond between Lys 79 and Gly 80 is trans (in blue); each forms a tight turn at the top of a loop joining helices E and F.
   Try the animation in each of the views (View1 is a closeup, View2 an overview, and View3 looks down from the top), and also try turning both on at once.  Note that the preceding sidechain (shown in yellowtint, only out to Cgamma) flips almost completely over, although the tight-turn H-bond is preserved.  For this animation, stereo is a big help in perceiving the large concerted changes at the tip of the loop:  type "s" on the keyboard to toggle stereo on & off; use a stereo viewer, or just relax your eyes to look "through" the screen and focus toward infinity, let the two images drift together until they overlap, and then focus on the fused image to see 3-D.  To see just the peptide by itself in cis (C shaped) vs trans (Z shaped) forms, choose View1, turn off "main ch" and "side ch", and animate again.  
	Of the conformational angles in the two turns, the phi, psi angles change by 30 to 120 degrees as well as the X-Pro omega angle by about 180 degrees:
  ECA:		  phi,psi,(omega)      1MBD:      phi,psi,(omega)
		Leu 73: -55, 142	        	Lys 79: +59,  49
		Pro 74: -100, 23 (-1)       	Gly 80: +91, -18 (176)
Turning this corner with a trans peptide uses two residues with positive phi values (unfavorable for all but Gly).  This cis versus trans comparison in a pair of functioning molecules is probably an underestimate of the dislocations that would typically be present in a "misfolded" protein with the incorrect isomer.

   *{Kinemage 4}* shows cyclophilin, a proline isomerase, with a bound dipeptide in the cis form.  Animate for a tour, first an end view of the 8-stranded, all-antiparallel beta barrel (skyblue), which is bolstered by helix-containing connections (pinktint) at each end that cross the barrel perpendicularly.  The beta barrel has a more complex topology than usual and includes both a classic righthanded and a rare lefthanded crossover connection;  the tour turns on first the righthanded one (in greens) and then the long, unusual lefthanded one (in pink and red).  Lastly there is a closeup of the binding interactions of the cis Ala-Pro substrate, which include H-bonds to both ends of the backbone and hydrophobic interactions with the Pro ring.  

   *{Kinemage 5}* animates the conformational changes between the symmetrical, double-ring GroEL chaperonin complex and the asymmetrical GroEL/GroES complex, with each ring of 7 subunits color-coded by chain type.  This system aids the folding of many different proteins by sequestering them away from aggregation inside the cavity, and especially by repeatedly binding to their exposed hydrophobic portions to pull them out of kinetically-trapped intermediates and give them a chance to start over.  This big structure looks better in a full-screen window (use the box at upper right of the graphics window to expand it).  Animate in View4 (a slice through the middle as in Fig. 6.12b or 6.15) to see the change in size and shape of the internal cavity, near the top end of which the partly folded protein would temporarily bind.  View5 is a closeup of the star-shaped "dome" of the 7 GroES chains.

   *{Kinemage 6}* animates the large and complex conformational change between an apo and a GroES-bound subunit of GroEL.  The 3 GroEL domains are color-coded as in Fig. 6.12, with the equatorial domain in greens, the intermediate domain in pinks, and the apical domain in blues.  Superposition was done using the large, helical equatorial domain, since that part stays in position at the center of the double-ring GroEL complex.  The startup view shows the overall movement (rather like a formal bow), from the viewpoint of Fig. 6.12a.  View2 shows the relative motion around the ATP/ADP site between the equatorial and intermediate domains, which is a classic domain-hinge that closes down on the ligand.  View3 shows the relative rotation of the apical domain on GroES binding at its top end;  it turns abruptly by about 90 degrees around its junction with the intermediate domain.


   Functionally important motion, or flexibility, in proteins can be at all scales, from local internal "breathing" or single sidechain movements (e.g., carboxypeptidase in Demo3_1a.kin), through loop motions (e.g., rubisco in Kin. 4.5), to shift or hinge motions of whole domains or subunits, as seen in the following kinemages.  The commonest such motion is a simple domain hinge opening and closing around a binding site, as illustrated next for hexokinase.

   *{Kinemage 7}* illustrates induced fit in the enzyme hexokinase, showing the conformational change that occurs on binding of glucose in the active site (the large cleft between the two domains).  The large domain is shown in yellowtint with gold beta sheet, and the small domain is in greentint with seagreen beta sheet.  The apo and liganded structures were superimposed using the large domain, so it is the small domain that seems to move most.  Click on "ANIMATE" to switch between the two conformations, which is a classic and typical domain motion.  In the open form there is room for glucose to get in or out, and the catalytic residues are not in position.  In the closed form the active site clamps down around the glucose, improving the specificity of binding and excluding water from the reaction.  To a first approximation, the interior structure of each domain stays the same and the two parts hinge open and closed as rigid units.  Actually there is some deformation, such as a small bending of the beta sheets (see View2 and View3), to keep the domain interface packed tightly.

   *{Kinemage 8}* animates the large conformational changes in cyclin-dependent kinase (CDK2) when it is activated by binding of the protein cyclin, an important part of cell-cycle control.  Cyclin does not change conformation significantly on formation of the complex, but CDK2 flexes a bit between the two domains (see View2) while two regions in it shift dramatically.  The red PSTAIRE helix (named for its sequence, which is labelled in the kinemage) moves and its connecting loop becomes more ordered as it forms a major part of the interface with cyclin;  active-site residue Glu 51 is moved into the correct position on cyclin binding (turn on both forms in View3, to match Fig. 6.18).  The yellow T-loop is sucked into the cyclin interface, which activates CDK2 because it exposes the active site that was previously covered by the T-loop.

   *{Kinemage 9}* animates the large domain movements that occur in calmodulin when a suitably-charged peptide helix binds to it.  By itself, calmodulin has an unusual, dumbbell-shaped structure in which a very long, exposed alpha-helix connects two domains containing Ca++-binding "EF hand" structures.  On binding, that long helix breaks in the middle and bends sharply, and the two domains come together around the peptide to form a more normal-looking compact arrangement.  A hingeing motion between two protein domains to bind and release substrate is extremely common (see for instance the hexokinase in chapter 11), but calmodulin moves far more dramatically than most.
	The startup view in the kinemage approximately matches Fig. 6.21, including coloring of the 4 EF-hand units in the 2 domains.  Click on "ANIMATE" to see the second domain swing in and out, while the first domain is here kept stationary.  Notice that the bound peptide helix (blue) is thoroughly buried, and the closed conformation is destabilized for isolated calmodulin by what would be a large hole in the middle.  There is a 2-fold axis between the domains in both conformations, but in quite different directions:  View1 emphasizes the 2-fold in the closed state and View2 the 2-fold in the open state.  The movement also rotates domain 2 by 180 degrees, as can be seen in View3, by first animating and then turning on both conformations at once.   Try animating the motion in the other views as well, to get a better feeling for this large movement.

   *{Kinemage 10}* is an animation of the unusual changes in the alpha-1 antitrypsin molecule (a serine protease inhibitor, or "serpin") on cleavage of its active site loop (shown in red) by trypsin at Lys 259.  In the original active form of the serpin, the trypsin-binding loop is exposed at the top of the molecule (the scissile bond is marked with two white balls).  However, in the cleaved form the two new ends are 65A apart, and the larger loop piece has inserted itself as a new strand into the middle of the large beta sheet.  In this new, more stable, form the inhibitor does not bind to trypsin at all.

   *{Kinemage 11}* is an animation of allosteric motions in a tetrameric molecule of phosphofructokinase (PFK), the key regulatory enzyme in glycolysis.  Each PFK subunit has two similar alpha/beta domains (see Fig. 6.25), and each has 3 ligand-binding sites:  2 close together for fructose and ATP (pink) at the active site, and an allosteric-effector site near one end of the subunit (shown in red for inhibitors and green for activators).  Inhibitors bind better to the tertiary structure of the inactive T-state and activators to the active R-state, thereby shifting the equilibrium of the entire tetramer conformation one way or the other.  The ATP site is the same in both states, so its binding has no allosteric effect and is not cooperative.
   The change in quaternary structure between the inhibited PFK T-state conformation and the active R-state conformation is a rotation of the dimers relative to each other by 7 degrees, as seen by animating in the startup view.  The side view shows that there is beta-sheet H-bonding between the dimers in the T-state, while in the R-state they are slightly farther apart and the edge beta-strands are bridged by waters (View3 is a closeup, like Fig. 6.26).  View4 shows how the effector site communicates with fructose-6-P binding and movements at the dimer interface:  the backbone conformation changes for the unwinding helix end and the edge beta strand, while Arg 162 (skyblue) & Glu 161 (pink) swing in and out of position for fructose 6-P binding in response to allosteric inhibitors (red P-glycolate) or activators (green ADP).  Turn on both forms, to see that the extra helix in the R-state would bump into the other subunit in the T-state.  Fructose-6-P, of course, binds only to the R-state, so its binding is highly cooperative.

    Kinemages 12 and 13 each animate a representative example of protein motion on binding ligands.  In each case, look to see which parts move relative to each other in what way, and think about what the functional need or advantage is for this motion.  Another example, involving allosteric motion between subunits, can be found in file HbAllo.kin, in the Teach folder.

    *{Kinemage 12}* shows a lactate dehydrogenase (LDH) subunit, with its doubly-wound nucleotide-binding domain in yellowtint and catalytic domain in bluetint.  Animate to see how the movements on binding relate to the overall LDH subunit structure.  What part moves most?  What is the largest movement (in Angstroms) you can measure for a Calpha?  Which residue?  Would the NAD be significantly less buried without the catalytic domain?  Is there any hinge motion or shift between the two domains?  In View2, can you find another part of the molecule that moves?  (Try turning on both forms at once.)
    Choose View3 and turn on "side ch" for a closeup of the substrate-binding site, and animate again.  Could the oxamate get in or out in the ternary-complex conformation?  How would the conformational change effect specificity of substrate binding?

    *{Kinemage 13}* shows the 2-domain, alpha/beta structure of maltodextrin-binding protein.  Animate to see the conformational change on binding maltose.  What parts move relative to each other?  What is this type of motion usually called?  What is the movement (in Angstroms) for a residue near the binding site?  In this case, what happens on the surface behind where the maltose binds (at right in View1)?  Which part was superimposed to make this kinemage? If the other section were superimposed, do you think it would show much internal motion?  There are 3 chains that run from one domain to the other;  for each, can you locate a "hinge" residue? (Try turning on both forms at once.)
    Some common functional advantages of motion include:  a)  allowing ligand access to a binding site that is encompassing and specific in the bound form;  b) positioning catalytic residues correctly only when all components are bound, to prevent side reactions;  c) excluding water from a site in the bound form, to tighten binding or prevent side reactions;  d) coupling binding to events elsewhere on the protein, for control.  Which of those factors are likely to apply to this case, and in what way?


    Copyright 1999 Jane S. and David C. Richardson.  Permission freely granted for educational, research, and personal use.  For program updates and more information, see http://kinemage.biochem.duke.edu.
@kinemage 1 
@caption (B&T Fig. 6.4)
Barnase - a small protein with a simple folding pathway.  Beta sheet is in skyblue and helices in pink.  Choose View2 or 3 and turn animate to see some of the positions used in analyzing the folding.  (from PDB file: 1BRN)
@onewidth 
@viewid {Fig. 6.4}
@zoom 1.06
@zslab 151
@center 18.203 14.04 10.378
@matrix
-0.004152 -.962198 -.272321 .62201 -.215717 .75271 -.782998 -.16626 .599392
@2viewid {L,I mutants}
@2zoom 2.58
@2zslab 195
@2center 13.582 9.524 6.084
@2matrix
0.371527 -.75079 -.54615 -.561729 -.650148 .511632 -.739208 .116703 -.663288
@3viewid {Tyr mutant}
@3zoom 2.43 
@3zslab 160
@3center 26.56 17.69 9.49
@3matrix
0.168657 -.96365 -.20721 .020883 -.206681 .978186 -.985453 -.169304 -.014733
@group {barnase} 
@subgroup {backbone} 
@vectorlist {ca hlx} color= pink 
{ca thr 6 }P 17.975 18.041 1.121 {ca phe 7} 14.399 17.92 2.424
{ca asp 8} 12.831 16.656 -.811
{ca gly 9} 15.741 14.395 -1.661
{ca val 10} 15.653 12.65 1.716
{ca ala 11} 11.83 12.639 1.874
{ca asp 12} 11.73 10.941 -1.554
{ca tyr 13} 14.418 8.402 -.636
{ca leu 14} 12.655 7.614 2.651
{ca gln 15} 9.305 7.134 .911
{ca thr 16} 10.854 4.85 -1.757
{ca tyr 17} 13.243 2.744 .327
{ca his 18} 12.009 3.115 3.918
{ca thr 26 }P 23.613 7.722 14.003 {ca lys 27} 24.969 9.774 16.905
{ca ser 28} 26.485 6.642 18.417
{ca glu 29} 28.196 5.822 15.135
{ca ala 30} 29.445 9.409 14.787
{ca gln 31} 30.7 9.359 18.371
{ca ala 32} 32.496 6.086 17.648
{ca leu 33} 34.262 7.833 14.784
{ca gly 34} 35.566 10.624 17.012
{ca asn 41 }P 34.27 18.227 14.001 {ca leu 42} 31.793 15.93 12.24
{ca ala 43} 33.029 16.696 8.719
{ca asp 44} 36.556 15.954 9.801
{ca val 45} 35.871 12.624 11.491
{ca ala 46} 33.197 11.533 8.932
{ca pro 47} 33.629 13.254 5.567
@vectorlist {ca b} color= sky 
{ca lys 49 }P 28.313 12.139 6.42 {ca ser 50} 25.35 13.586 8.274
{ca ile 51} 23.862 12.616 11.62
{ca gly 52} 20.513 10.839 11.251
{ca gly 53} 18.369 7.946 12.384
{ca asp 54} 18.029 8.591 16.108
{ca ile 55} 14.784 8.458 18.077
{ca phe 56} 12.707 11.611 18.472
{ca thr 70 }P 8.126 5.547 16.707 {ca trp 71} 9.58 8.802 15.42
{ca arg 72} 13.134 9.308 14.163
{ca glu 73} 14.927 12.449 13.005
{ca ala 74} 17.761 13.223 10.643
{ca asp 75} 19.898 16.241 9.818
{ca ile 76} 19.15 18.112 6.587
{ca asp 86 }P 17.08 21.63 9.901 {ca arg 87} 15.659 18.15 10.497
{ca ile 88} 13.412 15.702 8.728
{ca leu 89} 11.124 13.707 11.005
{ca tyr 90} 9.796 10.3 9.964
{ca ser 91} 7.592 7.785 11.678
{ca ser 92} 7.652 3.999 11.582
{ca asp 93 }P 4.478 4.248 9.469 {ca trp 94} 6.146 6.716 7.124
{ca leu 95} 4.6 10.042 7.954
{ca ile 96} 7.2 12.681 7.039
{ca tyr 97} 7.579 16.125 8.583
{ca lys 98} 10.114 18.934 8.42
{ca thr 99} 11.023 21.705 11.008
{ca thr 100} 13.662 24.385 10.284
{ca phe 106 }P 6.726 21.254 12.029 {ca thr 107} 5.319 21.089 8.557
{ca lys 108} 3.902 17.909 6.984
{ca ile 109} 5.633 17.232 3.642
{ca arg 110} 4.895 13.626 2.665
@vectorlist {ca lp} color= white 
{ca val 3 }P 25.222 12.549 -1.081 {ca ile 4} 21.526 13.253 -.515
{ca asn 5} 20.687 15.642 2.305
{ca thr 6} 17.975 18.041 1.121
{ca his 18 }P 12.009 3.115 3.918 {ca lys 19} 15.502 3.884 5.168
{ca leu 20} 17.881 6.832 5.174
{ca pro 21} 20.398 7.058 2.312
{ca asp 22} 23.992 5.837 2.884
{ca asn 23} 25.416 9.224 3.894
{ca tyr 24} 23.693 9.067 7.297
{ca ile 25} 25.157 7.756 10.529
{ca thr 26} 23.613 7.722 14.003
{ca gly 34 }P 35.566 10.624 17.012 {ca trp 35} 32.786 13.194 16.676
{ca val 36} 32.625 15.607 19.595
{ca ala 37} 29.596 17.924 19.6
{ca ser 38} 31.35 20.827 21.332
{ca lys 39} 34.112 20.611 18.728
{ca gly 40} 31.909 20.725 15.622
{ca asn 41} 34.27 18.227 14.001
{ca pro 47 }P 33.629 13.254 5.567 {ca gly 48} 30.391 13.615 3.629
{ca lys 49} 28.313 12.139 6.42
{ca phe 56 }P 12.707 11.611 18.472 {ca ser 57} 10.575 11.25 21.636
{ca asn 58} 7.892 13.789 20.606
{ca arg 59} 7.579 14.826 24.274
{ca glu 60} 5.834 18.125 23.293
{ca gly 61} 3.277 16.172 21.346
{ca lys 62} 3.74 18.443 18.329
{ca leu 63} 3.711 15.458 15.946
{ca pro 64} .801 13.035 15.53
{ca gly 65} 1.024 10.301 18.157
{ca lys 66} -.337 6.767 18.254
{ca ser 67} .529 3.741 20.361
{ca gly 68} 3.466 1.869 18.898
{ca arg 69} 4.422 4.642 16.497
{ca thr 70} 8.126 5.547 16.707
{ca ile 76 }P 19.15 18.112 6.587 {ca asn 77} 21.371 20.606 4.731
{ca tyr 78} 24.454 19.648 6.748
{ca thr 79} 27.84 20.062 5.033
{ca ser 80} 30.236 21.204 7.751
{ca gly 81} 30.948 22.582 11.207
{c gly 81} 29.897 22.087 12.176
{o gly 81} 29.534 20.915 12.18
{c gly 81 }P 29.897 22.087 12.176 {n phe 82} 29.437 22.999 13.011
{ca phe 82} 28.416 22.712 14.031
{ca arg 83} 24.974 21.28 13.311
{ca asn 84} 22.062 23.378 12.079
{ca ser 85} 18.382 23.652 12.841
{ca asp 86} 17.08 21.63 9.901
{ca ser 92 }P 7.652 3.999 11.582 {ca asp 93} 4.478 4.248 9.469
{ca thr 100 }P 13.662 24.385 10.284 {ca asp 101} 13.68 25.664 13.858
{ca his 102} 15.024 22.694 15.766
{ca tyr 103} 11.739 20.905 16.532
{ca gln 104} 9.766 23.967 17.639
{ca thr 105} 7.346 23.905 14.695
{ca phe 106} 6.726 21.254 12.029
@labellist {ends} color= greentint 
{ Nt} 25.222 12.549 -1.081
{ Ct} 4.895 13.626 2.665
@group {wildtype} dominant animate
@balllist {O} color= red radius= .15
{oh tyr 78} 29.625 18.906 10.412
{o gly 81} 29.534 20.915 12.18
@vectorlist {sc} color= cyan 
{ca tyr 78 }P 24.454 19.648 6.748 {cb tyr 78} 24.544 18.593 7.862
{cg tyr 78} 25.895 18.664 8.541
{cd1 tyr 78} 26.159 19.649 9.503
{ce1 tyr 78} 27.388 19.72 10.111
{cz tyr 78} 28.394 18.829 9.784
{oh tyr 78} 29.625 18.906 10.412
{cg tyr 78 }P 25.895 18.664 8.541 {cd2 tyr 78} 26.911 17.765 8.22
{ce2 tyr 78} 28.141 17.857 8.841
{cz tyr 78} 28.394 18.829 9.784
@vectorlist {sc} color= gold 
{ca leu 14 }P 12.655 7.614 2.651 {cb leu 14} 12.396 8.622 3.768
{cg leu 14} 13.532 9.01 4.716
{cd1 leu 14} 13.127 10.226 5.536
{cg leu 14 }P 13.532 9.01 4.716 {cd2 leu 14} 13.86 7.83 5.614
{ca ile 88 }P 13.412 15.702 8.728 {cb ile 88} 13.764 14.948 7.442
{cg1 ile 88} 12.541 14.29 6.781
{cd1 ile 88} 12.723 14.128 5.278
{cb ile 88 }P 13.764 14.948 7.442 {cg2 ile 88} 14.826 13.873 7.709
{ca ile 96 }P 7.2 12.681 7.039 {cb aile 96} 7.804 12.323 5.671
{cg1aile 96} 8.046 10.797 5.484
{cd1aile 96} 9.501 10.417 5.207
{cb aile 96 }P 7.804 12.323 5.671 {cg2aile 96} 9.132 13.025 5.471
@vectorlist {Y hb} color= purple 
{o gly 81 }P 29.558 20.39 11.718 {oh tyr 78} 29.601 19.431 10.874
@labellist {lbl} color= yellowtint master= {labels} 
{L 14} 12.2 8.622 3.76
{Y 78} 24.544 18.593 7.862
{ I 88} 13.764 14.95 7.442
{I 96} 7.804 12.323 5.671
@group {mutants} dominant animate
@balllist {O} color= red radius= .15
{o gly 81} 29.534 20.915 12.18
@vectorlist {sc} color= sea 
{ca phe 78 }P 24.454 19.648 6.748 {cb phe 78} 24.544 18.593 7.862
{cg phe 78} 25.895 18.664 8.541
{cd1 phe 78} 26.159 19.649 9.503
{ce1 phe 78} 27.388 19.72 10.111
{cz phe 78} 28.394 18.829 9.784
{cg phe 78 }P 25.895 18.664 8.541 {cd2 phe 78} 26.911 17.765 8.22
{ce2 phe 78} 28.141 17.857 8.841
{cz phe 78} 28.394 18.829 9.784
@vectorlist {sc} color= gold 
{ca ala 14 }P 12.655 7.614 2.651 {cb ala 14} 12.396 8.622 3.768
{ca ala 88 }P 13.412 15.702 8.728 {cb ala 88} 13.764 14.948 7.442
{ca val 96 }P 7.2 12.681 7.039 {cb val 96} 7.804 12.323 5.671
{cg1 val 96} 8.046 10.797 5.484
{cb val 96 }P 7.804 12.323 5.671 {cg2 val 96} 9.132 13.025 5.471
@labellist {lbl} color= yellowtint master= {labels} 
{L 14 A} 12.2 8.622 3.76
{Y 78 F} 24.544 18.593 7.862
{ I 88 A} 13.764 14.95 7.442
{I 96 V} 7.804 12.323 5.671

@kinemage 2 
@caption (B&T Fig. 6.8)
Animated tour of DsbA disulfide isomerase - Calphas and detail around active SS (yellow).  The N-terminal tail is in bluetint, the thioredoxin-like domain in white, and the 5-helix domain in greentint, with the 5-strand beta-sheet highlighted in pinktint.  (from PDB file 1DSB)
@onewidth 
@viewid {Fig.6.8}
@zoom 1.0
@zslab 169
@center 8.449 25.177 35.47
@matrix
-.670849 .383925 -.634481 -.575404 .270266 .771924 .467838 .882926 .039604
@2viewid {Trx domain}
@2zoom 1.5
@2zslab 138
@2center 6.063 21.959 26.972
@2matrix
0.21341 -.76253 .61074 .96893 .24518 .03245 -.125 .59869 .79116
@3viewid {SS closeup}
@3zoom 2.71 
@3zslab 187 
@3center 3.244 24.496 39.091 
@3matrix 
-.728317 .203838 -.654221 .027779 .96273 .269036 .684679 .177769 -.706833
@4viewid {surface}
@4zoom 1.39
@4zslab 169
@4center 10.242 24.583 36.127
@4matrix
-.44153 -.03005 -.89674 -.65035 .69926 .29679 .61814 .71424 -.32829
@group {Disulf isom} dominant animate moview= 1
@subgroup {Nt tail} 
@vectorlist {Calphas} color= bluetint 
{ca ala a 1}P 1.63 13.284 12.134 {ca gln a 2}1.179 11.637 15.528
{ca tyr a 3}2.812 14.701 17.152
{ca glu a 4}2.102 18.012 15.477
{ca asp a 5}3.354 21.557 15.734
{ca gly a 6}0.419 23.498 17.126
{ca lys a 7}-.938 20.338 18.701
{ca gln a 8}1.042 18.978 21.654
{ca tyr a 9}3.817 21.544 21.282
{ca thr a 10}4.702 24.737 19.419
{ca thr a 11}7.922 25.711 17.709
{ca leu a 12}9.484 28.992 18.728
{ca glu a 13}9.517 31.589 15.982
{ca lys a 14}12.895 32.536 17.421
{ca pro a 15}14.92 29.526 18.643
{ca val a 16}17.19 30.084 21.608
{ca ala a 17}20.855 29.211 21.251
{ca gly a 18}22.461 27.469 24.223
{ca ala a 19}19.166 27.084 26.116
{ca pro a 20}18.957 24.212 28.666
@vectorlist {b1} color= pinktint
{ca gln a 8}P 1.042 18.978 21.654 {ca tyr a 9}3.817 21.544 21.282
{ca thr a 10}4.702 24.737 19.419
{ca thr a 11}7.922 25.711 17.709
{ca leu a 12}9.484 28.992 18.728
@subgroup {Trx dom}
@vectorlist {Calphas} color= white 
{ca pro a 20}P 18.957 24.212 28.666 {ca gln a 21}17.688 20.914 27.231
{ca val a 22}14.52 20.829 29.318
{ca leu a 23}13.656 24.152 30.932
{ca glu a 24}10.64 24.58 33.172
{ca phe a 25}9.322 27.879 34.564
{ca phe a 26}6.912 28.205 37.453
{ca ser a 27}5.795 30.447 40.276
{ca phe a 28}4.748 29.544 43.796
{ca phe a 29}1.754 31.861 43.209
{ca cys a 30}0.664 29.937 40.144
{c cys a 30}-.068 28.626 40.532
{o cys a 30}0.564 27.649 40.914
{c cys a 30}P -.068 28.626 40.532 {n pro a 31}-1.411 28.604 40.442
{ca pro a 31}-2.282 27.463 40.77
{c pro a 31}-2.058 26.197 39.966
{o pro a 31}-2.011 25.116 40.535
{c pro a 31}P -2.058 26.197 39.966 {n his a 32}-1.972 26.287 38.644
{ca his a 32}-1.718 25.062 37.876
{c his a 32}-.335 24.532 38.183
{o his a 32}-.059 23.359 37.967
{c his a 32}P -.335 24.532 38.183 {n cys a 33}0.538 25.407 38.676
{ca cys a 33}1.907 25.03 39.026
{c cys a 33}1.871 24.189 40.287
{o cys a 33}2.692 23.303 40.469
{c cys a 33}P 1.871 24.189 40.287 {n tyr a 34}0.94 24.511 41.182
{ca tyr a 34}0.756 23.776 42.432
{c tyr a 34}0.235 22.379 42.018
{o tyr a 34}0.73 21.366 42.513
{c tyr a 34}P .235 22.379 42.018 {n gln a 35}-.749 22.348 41.11
{ca gln a 35}-1.32 21.095 40.58
{c gln a 35}-.215 20.278 39.891
{o gln a 35}0.03 19.128 40.235
{c gln a 35}P -.215 20.278 39.891 {n phe a 36}0.476 20.905 38.944
{ca phe a 36}1.55 20.27 38.208
{ca glu a 37}3.885 19.822 41.17
{ca glu a 38}2.081 18.481 44.189
{ca val a 39}-.69 16.412 42.599
{ca leu a 40}0.534 15.543 39.082
{ca his a 41}4.307 15.453 39.752
{ca ile a 42}5.07 16.53 36.221
{ca ser a 43}8.8 17.202 36.746
{ca asp a 44}9.497 13.812 38.341
{ca asn a 45}7.614 11.963 35.666
{ca val a 46}9.251 13.891 32.876
{ca lys a 47}12.614 13.282 34.512
{ca lys a 48}11.922 9.518 34.659
{ca lys a 49}11.549 9.392 30.893
{ca leu a 50}14.469 11.482 29.648
{ca pro a 51}17.523 9.958 27.944
{ca glu a 52}20.793 10. 29.836
{ca gly a 53}22.752 13.215 29.941
{ca val a 54}19.592 15.21 29.286
{ca lys a 55}19.388 17.683 32.183
{ca met a 56}16.345 19.574 33.536
{ca thr a 57}16.366 23.118 34.851
{ca lys a 58}13.513 24.644 36.807
{ca tyr a 59}13.321 28.445 37.191
{ca his a 60}11.05 30.766 39.163
{ca val a 61}9.47 33.888 37.549
{ca asn a 62}8.926 37.491 38.752
{ca glu a 139}P 15.512 36.449 34.526 {ca lys a 140}17.606 36.213 31.345
{ca ala a 141}16.125 32.798 30.56
{ca ala a 142}12.522 34.071 30.829
{ca ala a 143}13.468 37.023 28.559
{ca asp a 144}15.106 34.873 25.892
{ca val a 145}11.779 33.019 25.432
{ca gln a 146}9.486 36.044 25.879
{ca leu a 147}7.714 34.295 28.717
{ca arg a 148}4.297 35.734 29.529
{ca gly a 149}2.811 32.807 31.482
{ca val a 150}3.363 29.736 33.68
{c val a 150}2.153 28.902 34.043
{o val a 150}1.056 29.426 34.192
{c val a 150}P 2.153 28.902 34.043 {n pro a 151}2.331 27.589 34.176
{ca pro a 151}3.588 26.865 34.
{ca ala a 152}5.758 26.44 30.894
{ca met a 153}8.279 23.905 29.594
{ca phe a 154}10.703 24.334 26.684
{ca val a 155}12.779 21.68 24.938
{ca asn a 156}16.16 22.234 23.199
{ca gly a 157}15.37 25.946 23.226
{ca lys a 158}13.063 25.247 20.252
{ca tyr a 159}9.721 23.869 21.39
{ca gln a 160}7.173 24.644 23.995
{ca leu a 161}4.842 22.024 25.39
{ca asn a 162}1.167 22.723 24.897
{ca pro a 163}-.807 20.719 27.491
{ca gln a 164}-4.049 22.095 26.092
{ca gly a 165}-4.009 19.336 23.468
{ca met a 166}-4.321 16.397 25.921
{ca asp a 167}-7.195 14.649 27.806
{ca thr a 168}-7.531 15.35 31.559
{ca ser a 169}-10.098 12.742 32.55
{ca asn a 170}-7.292 10.58 33.873
{ca met a 171}-4.348 12.297 35.509
{ca asp a 172}-1.973 9.371 35.043
{ca val a 173}-2.625 9.215 31.304
{ca phe a 174}-2.252 13.012 31.027
{ca val a 175}1.091 12.852 32.855
{ca gln a 176}2.448 10.076 30.621
{ca gln a 177}1.271 11.83 27.498
{ca tyr a 178}3.1 14.989 28.645
{ca ala a 179}6.24 12.985 29.528
{ca asp a 180}6.235 11.089 26.207
{ca thr a 181}6.011 14.357 24.218
{ca val a 182}9.012 15.797 26.094
{ca lys a 183}11.035 12.625 25.32
{ca tyr a 184}9.98 12.852 21.682
{ca leu a 185}10.98 16.52 21.401
{ca ser a 186}14.282 15.974 23.182
{ca glu a 187}15.379 13.44 20.595
{ca lys a 188}13.712 15.31 17.723
@vectorlist {b2-5} color= pinktint 
{ca gln a 21}P 17.688 20.914 27.231 {ca val a 22}14.52 20.829 29.318
{ca leu a 23}13.656 24.152 30.932
{ca glu a 24}10.64 24.58 33.172
{ca phe a 25}9.322 27.879 34.564
{ca phe a 26}6.912 28.205 37.453
{ca ser a 27}5.795 30.447 40.276
{ca lys a 55}P 19.388 17.683 32.183 {ca met a 56}16.345 19.574 33.536
{ca thr a 57}16.366 23.118 34.851
{ca lys a 58}13.513 24.644 36.807
{ca tyr a 59}13.321 28.445 37.191
{ca his a 60}11.05 30.766 39.163
{ca val a 61}9.47 33.888 37.549
{ca pro a 151}P 3.588 26.865 34. {ca ala a 152}5.758 26.44 30.894
{ca met a 153}8.279 23.905 29.594
{ca phe a 154}10.703 24.334 26.684
{ca val a 155}12.779 21.68 24.938
{ca asn a 156}16.16 22.234 23.199
{ca lys a 158}P 13.063 25.247 20.252 {ca tyr a 159}9.721 23.869 21.39
{ca gln a 160}7.173 24.644 23.995
{ca leu a 161}4.842 22.024 25.39
{ca asn a 162}1.167 22.723 24.897
@balllist {S} color= gold radius= .2 master= {active SS}
{sg cys a 30}1.38 28.532 37.793
{sg cys a 33}3.005 27.362 37.787
@vectorlist {S-S} color= yellow master= {active SS} 
{ca cys a 30}P .664 29.937 40.144 {cb cys a 30}1.714 29.76 39.062
{sg cys a 30}1.38 28.532 37.793
{sg cys a 33}3.005 27.362 37.787
{cb cys a 33}2.782 26.276 39.25
{ca cys a 33}1.907 25.03 39.026
@subgroup {5-hlx dom} 
@vectorlist {Calphas} color= greentint 
{ca asn a 62}P 8.926 37.491 38.752 {ca phe a 63}5.618 38.321 37.093
{ca met a 64}3.184 37.026 39.732
{ca gly a 65}2.817 38.065 43.351
{ca gly a 66}4.569 41.408 42.957
{ca asp a 67}7.063 42.051 45.749
{ca leu a 68}6.82 38.579 47.304
{ca gly a 69}7.118 37.225 43.732
{ca lys a 70}10.635 38.636 43.384
{ca asp a 71}11.534 37.544 46.939
{ca leu a 72}10.565 33.955 45.954
{ca thr a 73}12.714 34.139 42.809
{ca gln a 74}15.633 35.074 45.078
{ca ala a 75}14.679 32.297 47.595
{ca trp a 76}14.605 29.783 44.711
{ca ala a 77}18.107 30.976 43.728
{ca val a 78}19.128 30.317 47.391
{ca ala a 79}17.568 26.797 47.15
{ca met a 80}19.465 26.153 43.955
{ca ala a 81}22.8 27.41 45.355
{ca leu a 82}22.38 25.321 48.524
{ca gly a 83}20.947 22.346 46.63
{ca val a 84}17.896 22.107 48.876
{ca glu a 85}15.117 22.233 46.196
{ca asp a 86}13.545 18.98 47.307
{ca lys a 87}13.422 20.195 50.868
{ca val a 88}11.575 23.459 50.247
{ca thr a 89}9.336 23.089 47.176
{ca val a 90}6.421 21.625 49.084
{ca pro a 91}6.427 23.907 52.096
{ca leu a 92}6.808 26.973 49.824
{ca phe a 93}3.836 25.924 47.651
{ca glu a 94}1.757 25.15 50.773
{ca gly a 95}2.922 28.282 52.592
{ca val a 96}1.838 30.421 49.647
{ca gln a 97}-1.265 28.568 48.444
{ca lys a 98}-2.705 26.303 51.138
{ca thr a 99}-2.064 27.891 54.555
{ca gln a 100}-1.287 31.345 53.141
{ca thr a 101}1.15 31.936 55.981
{ca ile a 102}3.888 33.251 53.641
{ca arg a 103}3.502 37.014 53.66
{ca ser a 104}7.016 38.411 53.796
{ca ala a 105}10.631 37.545 53.141
{ca ser a 106}10.958 36.513 56.817
{ca asp a 107}8.159 33.994 56.351
{ca ile a 108}10.117 32.472 53.439
{ca arg a 109}13.24 32.36 55.643
{ca asp a 110}11.205 30.529 58.364
{ca val a 111}10.416 27.727 55.88
{ca phe a 112}14.106 27.15 55.148
{ca ile a 113}15.159 27.177 58.82
{ca asn a 114}12.259 24.838 59.62
{ca ala a 115}13.534 22.62 56.755
{ca gly a 116}16.908 22.313 58.438
{ca ile a 117}18.935 25.152 56.903
{ca lys a 118}20.872 27.159 59.515
{ca gly a 119}19.949 30.834 59.742
{ca glu a 120}23.526 31.947 59.316
{ca glu a 121}23.819 29.7 56.257
{ca tyr a 122}20.59 31.021 54.741
{ca asp a 123}21.434 34.688 55.387
{ca ala a 124}24.912 34.272 53.865
{ca ala a 125}23.468 32.727 50.689
{ca trp a 126}20.603 35.259 50.569
{ca asn a 127}23.104 38.095 50.368
{ca ser a 128}25.684 36.411 48.178
{ca phe a 129}26.645 37.51 44.676
{ca val a 130}26.452 33.865 43.58
{ca val a 131}22.719 34.08 44.387
{ca lys a 132}22.642 37.467 42.568
{ca ser a 133}23.999 35.808 39.398
{ca leu a 134}21.518 32.925 39.824
{ca val a 135}18.678 35.471 39.965
{ca ala a 136}19.971 37.209 36.795
{ca gln a 137}20.255 33.827 35.016
{ca gln a 138}16.583 32.997 35.777
{ca glu a 139}15.512 36.449 34.526
@group {Trx domain} dominant animate moview= 2
@subgroup {tail} instance= {Nt tail} 
@subgroup {trx} instance= {Trx dom}
@group {SS close} dominant animate moview= 3
@subgroup {trx} instance= {Trx dom}
@group {surface} dominant animate moview= 4
@subgroup {tail} instance= {Nt tail} 
@subgroup {trx} instance= {Trx dom}
@subgroup {hx dom} instance= {5-hlx dom} 
@subgroup {sc surf}
@vectorlist {polar} color= cyan 
{ca his a 32}P -1.718 25.062 37.876 {cb his a 32}-1.845 25.278 36.362
{cg his a 32}-3.235 25.613 35.928
{nd1 his a 32}-3.509 26.617 35.027
{ce1 his a 32}-4.817 26.745 34.899
{ne2 his a 32}-5.398 25.855 35.68
{cg his a 32}P -3.235 25.613 35.928 {cd2 his a 32}-4.431 25.132 36.332
{ne2 his a 32}-5.398 25.855 35.68
{ca tyr a 34}P .756 23.776 42.432 {cb tyr a 34}-.272 24.507 43.314
{cg tyr a 34}-.486 23.901 44.695
{cd1 tyr a 34}-1.179 22.69 44.863
{ce1 tyr a 34}-1.347 22.127 46.143
{cz tyr a 34}-.822 22.786 47.25
{oh tyr a 34}-.965 22.269 48.511
{cg tyr a 34}P -.486 23.901 44.695 {cd2 tyr a 34}0.023 24.53 45.834
{ce2 tyr a 34}-.14 23.982 47.103
{cz tyr a 34}-.822 22.786 47.25
{ca gln a 35}P -1.32 21.095 40.58 {cb gln a 35}-2.409 21.384 39.539
{cg gln a 35}-3.655 22.115 40.049
{cd gln a 35}-4.42 21.352 41.146
{oe1 gln a 35}-4.706 20.151 41.021
{cd gln a 35}P -4.42 21.352 41.146 {ne2 gln a 35}-4.764 22.059 42.221
@vectorlist {Hphobic} color= gold 
{ca phe a 29}P 1.754 31.861 43.209 {cb phe a 29}1.95 33.357 42.921
{cg phe a 29}2.316 34.148 44.126
{cd1 phe a 29}1.335 34.53 45.04
{ce1 phe a 29}1.665 35.222 46.202
{cz phe a 29}2.982 35.535 46.454
{cg phe a 29}P 2.316 34.148 44.126 {cd2 phe a 29}3.64 34.472 44.384
{ce2 phe a 29}3.981 35.162 45.543
{cz phe a 29}2.982 35.535 46.454
{ca pro a 31}P -2.282 27.463 40.77 {cb pro a 31}-3.687 28.007 40.529
{cg pro a 31}-3.535 29.492 40.629
{cd pro a 31}-2.219 29.731 39.942
{n pro a 31}P -1.411 28.604 40.442 {cd pro a 31}-2.219 29.731 39.942
{ca phe a 36}P 1.55 20.27 38.208 {cb phe a 36}2.307 21.287 37.333
{cg phe a 36}1.824 21.365 35.912
{cd1 phe a 36}0.477 21.23 35.601
{ce1 phe a 36}0.032 21.296 34.276
{cz phe a 36}0.947 21.498 33.247
{cg phe a 36}P 1.824 21.365 35.912 {cd2 phe a 36}2.727 21.566 34.877
{ce2 phe a 36}2.298 21.633 33.542
{cz phe a 36}0.947 21.498 33.247
{ca leu a 40}P .534 15.543 39.082 {cb leu a 40}0.242 16.453 37.891
{cg leu a 40}-1.091 16.439 37.137
{cd1 leu a 40}-2.241 16.288 38.038
{cg leu a 40}P -1.091 16.439 37.137 {cd2 leu a 40}-1.211 17.695 36.303
{ca val a 150}P 3.363 29.736 33.68 {cb val a 150}4.194 29.931 34.976
{cg1 val a 150}5.584 30.344 34.626
{cb val a 150}P 4.194 29.931 34.976 {cg2 val a 150}3.51 30.908 35.949
{ca pro a 151}P 3.588 26.865 34. {cb pro a 151}3.275 25.507 34.643
{cg pro a 151}1.83 25.331 34.373
{cd pro a 151}1.26 26.691 34.647
{n pro a 151}2.331 27.589 34.176
{ca ala a 152}P 5.758 26.44 30.894 {cb ala a 152}6.111 27.817 30.301
{ca pro a 163}P -.807 20.719 27.491 {cb pro a 163}-.51 20.942 28.975
{cg pro a 163}-.171 22.359 29.035
{cd pro a 163}0.707 22.563 27.825
{n pro a 163}0.074 21.68 26.829
{ca met a 171}P -4.348 12.297 35.509 {cb met a 171}-4.314 12.633 36.995
{cg met a 171}-5.635 13.156 37.52
{sd met a 171}-5.469 13.689 39.201
{ce met a 171}-5.356 15.412 38.907
{ca phe a 174}P -2.252 13.012 31.027 {cb phe a 174}-3.027 14.075 31.836
{cg phe a 174}-2.521 15.482 31.614
{cd1 phe a 174}-2.701 16.111 30.385
{ce1 phe a 174}-2.141 17.373 30.139
{cz phe a 174}-1.387 18.022 31.144
{cg phe a 174}P -2.521 15.482 31.614 {cd2 phe a 174}-1.777 16.136 32.61
{ce2 phe a 174}-1.206 17.399 32.383
{cz phe a 174}-1.387 18.022 31.144
@vectorlist {polar} color= cyan
{ca gln a 97}P -1.265 28.568 48.444 {cb gln a 97}-1.211 27.863 47.072
{cg gln a 97}-.453 28.687 45.991
{cd gln a 97}-.646 28.167 44.567
{oe1 gln a 97}-1.771 27.878 44.134
{cd gln a 97}P -.646 28.167 44.567 {ne2 gln a 97}0.455 28.035 43.839
@vectorlist {Hphobic} color= gold 
{ca phe a 63}P 5.618 38.321 37.093 {cb phe a 63}5.407 38.344 35.583
{cg phe a 63}5.42 36.994 34.946
{cd1 phe a 63}4.264 36.216 34.921
{ce1 phe a 63}4.245 35.002 34.259
{cz phe a 63}5.386 34.544 33.61
{cg phe a 63}P 5.42 36.994 34.946 {cd2 phe a 63}6.561 36.526 34.306
{ce2 phe a 63}6.548 35.302 33.632
{cz phe a 63}5.386 34.544 33.61
{ca met a 64}P 3.184 37.026 39.732 {cb met a 64}2.745 35.565 39.585
{cg met a 64}2.264 35.143 38.212
{sd met a 64}1.631 33.429 38.293
{ce met a 64}0.005 33.666 38.807
{ca leu a 68}P 6.82 38.579 47.304 {cb leu a 68}5.548 37.972 47.9
{cg leu a 68}5.503 37.644 49.397
{cd1 leu a 68}4.412 36.615 49.632
{cg leu a 68}P 5.503 37.644 49.397 {cd2 leu a 68}6.82 37.117 49.905
{ca val a 96}P 1.838 30.421 49.647 {cb val a 96}2.63 30.641 48.314
{cg1 val a 96}1.872 31.599 47.375
{cb val a 96}P 2.63 30.641 48.314 {cg2 val a 96}4.025 31.192 48.62
{ca ile a 102}P 3.888 33.251 53.641 {cb ile a 102}4.562 32.411 52.517
{cg1 ile a 102}5.278 31.21 53.155
{cd1 ile a 102}5.998 30.298 52.193
{cb ile a 102}P 4.562 32.411 52.517 {cg2 ile a 102}5.549 33.273 51.716

@kinemage 3 
@caption
Erythrocruorin cis Pro 74 (hotpink peptide) versus myoglobin trans Gly 80 (skyblue peptide).  Animate, preferably in stereo, in the various views.  (from PDB file 1MBD 70-88 superimposed on 1ECA 64-82)
@onewidth 
@viewid {close}
@zoom 1.7
@zslab 198 
@center -6.2 5.355 29.
@matrix 
-.600148 -.616405 -.509772 -.787377 .342968 .512258 -.140923 .708815 -.691175
@2viewid {overview}
@2zoom 1.14 
@2zslab 229 
@2center -2.335 9.795 27.263 
@2matrix 
-.017034 -.990983 -.132907 .566674 .099947 -.817858 .823768 -.089247 .559861
@3viewid {top}
@3zoom 1.14 
@3zslab 229 
@3center -.274 9.526 27.768 
@3matrix 
0.646673 -.103569 -.755703 -.728319 .210535 -.652094 .226639 .972085 .060715
@group {erythr-cis} dominant animate
@balllist {N} color= sky radius= .15
{n pro 74}-8.962 5.855 28.525
@balllist {C} color= sea radius= .1
{ca leu 73}-7.143 6.295 27.015
{c leu 73}-8.249 5.369 27.523
{ca pro 74}-8.663 7.19 29.074
@balllist {O} color= red radius= .15
{o leu 73}-8.432 4.251 27.013
@vectorlist {mc} color= white master= {main ch} 
{ca gly 64}P 6.74 7.168 21.699 {ca phe 65}5.422 8.425 25.041
{ca phe 66}2.537 10.233 23.375
{ca ser 67}1.766 6.902 21.745
{ca lys 68}1.636 5.255 25.172
{ca ile 69}-.902 7.852 26.235
{c ile 69}-2.145 7.548 25.4
{o ile 69}-3.217 7.243 25.942
{c ile 69}P -2.145 7.548 25.4 {n ile 70}-1.981 7.64 24.096
{ca ile 70}-3.104 7.413 23.183
{c ile 70}-3.6 5.978 23.279
{o ile 70}-4.813 5.723 23.235
{c ile 70}P -3.6 5.978 23.279 {n gly 71}-2.668 5.056 23.41
{ca gly 71}-3.011 3.651 23.642
{c gly 71}-3.76 3.239 24.899
{o gly 71}-4.488 2.237 24.893
{c gly 71}P -3.76 3.239 24.899 {n glu 72}-3.597 4.002 25.96
{ca glu 72}-4.32 3.763 27.208
{c glu 72}-5.502 4.627 27.649
{o glu 72}-5.958 4.543 28.797
{c glu 72}P -5.502 4.627 27.649 {n leu 73}-5.978 5.443 26.734
{ca leu 73}-7.143 6.295 27.015
{c leu 73}-8.249 5.369 27.523
{o leu 73}-8.432 4.251 27.013
{c leu 73}P -8.249 5.369 27.523 {n pro 74}-8.962 5.855 28.525
{ca pro 74}-8.663 7.19 29.074
{c pro 74}-7.876 7.316 30.379
{o pro 74}-7.981 8.325 31.089
{c pro 74}P -7.876 7.316 30.379 {n asn 75}-7.099 6.291 30.679
{ca asn 75}-6.515 6.146 32.02
{c asn 75}-5.135 6.72 31.842
{o asn 75}-4.14 5.983 31.791
{c asn 75}P -5.135 6.72 31.842 {n ile 76}-5.075 8.037 31.747
{ca ile 76}-3.804 8.719 31.501
{c ile 76}-3.12 9.528 32.605
{o ile 76}-2.028 10.077 32.402
{c ile 76}P -3.12 9.528 32.605 {n glu 77}-3.768 9.592 33.756
{ca glu 77}-3.271 10.422 34.863
{c glu 77}-1.836 10.197 35.344
{o glu 77}-1.091 11.153 35.592
{c glu 77}P -1.836 10.197 35.344 {n ala 78}-1.467 8.938 35.472
{ca ala 78}-.15 8.582 36.021
{c ala 78}0.957 9.025 35.062
{o ala 78}2.016 9.5 35.49
{c ala 78}P .957 9.025 35.062 {n asp 79}0.696 8.863 33.784
{ca asp 79}1.635 9.33 32.754
{ca val 80}0.682 13. 32.806
{ca asn 81}2.161 13.086 36.313
{ca thr 82}5.422 11.69 34.958
@vectorlist {cis pept} color= hotpink 
{ca leu 73}P -7.143 6.295 27.015 {c leu 73}-8.249 5.369 27.523
{n pro 74}-8.962 5.855 28.525
{ca pro 74}-8.663 7.19 29.074
@vectorlist {Hbond} color= brown master= {Hbond} 
<1.01>{asn 75 hn} P -6.89 5.62 29.92 {glu 72 o} -6.24 4.85 29.1
@vectorlist {Pro 74} color= pinktint master= {side ch} 
{ca pro 74}P -8.663 7.19 29.074 {cb pro 74}-9.994 7.68 29.56
{cg pro 74}-10.814 6.459 29.938
{cd pro 74}-10.094 5.303 29.249
{n pro 74}-8.962 5.855 28.525
@vectorlist {other sc} color= yellowtint master= {side ch} 
{ca leu 73}P -7.143 6.295 27.015 {cb leu 73}-7.566 7.05 25.735
{cg leu 73}-6.567 8.001 25.107
@group {myoglobin} dominant animate 
@balllist {N} color= sky radius= .15
{n gly 80}-7.597 7.39 27.33
@balllist {C} color= sea radius= .1
{ca lys 79}-7.706 5.41 25.915
{c lys 79}-8.344 6.308 27.044
{ca gly 80}-8.175 8.331 28.311
@balllist {O} color= red radius= .15
{o lys 79}-9.494 5.965 27.408
@vectorlist {mc} color= white master= {main ch} 
{ca thr 70}P 6.921 7.43 22.114 {ca ala 71}5.405 9.318 25.139
{ca leu 72}2.391 10.423 23.022
{ca gly 73}1.771 6.87 21.969
{ca ala 74}1.88 5.521 25.435
{ca ile 75}-.789 8.125 26.391
{c ile 75}-2.054 7.657 25.617
{o ile 75}-3.103 7.249 26.156
{c ile 75}P -2.054 7.657 25.617 {n leu 76}-1.935 7.704 24.279
{ca leu 76}-3.031 7.298 23.523
{c leu 76}-3.592 5.886 23.699
{o leu 76}-4.786 5.673 23.678
{c leu 76}P -3.592 5.886 23.699 {n lys 77}-2.639 4.921 23.954
{ca lys 77}-3.029 3.527 24.127
{c lys 77}-3.68 3.324 25.428
{o lys 77}-4.213 2.278 25.645
{c lys 77}P -3.68 3.324 25.428 {n lys 78}-3.62 4.297 26.333
{ca lys 78}-4.478 4.246 27.625
{c lys 78}-5.928 4.54 27.364
{o lys 78}-6.703 4.521 28.326
{c lys 78}P -5.928 4.54 27.364 {n lys 79}-6.287 5.147 26.226
{ca lys 79}-7.706 5.41 25.915
{c lys 79}-8.344 6.308 27.044
{o lys 79}-9.494 5.965 27.408
{c lys 79}P -8.344 6.308 27.044 {n gly 80}-7.597 7.39 27.33
{ca gly 80}-8.175 8.331 28.311
{c gly 80}-7.802 8.058 29.76
{o gly 80}-7.786 9.054 30.556
{c gly 80}P -7.802 8.058 29.76 {n his 81}-7.329 6.83 30.07
{ca his 81}-6.857 6.512 31.524
{c his 81}-5.371 6.759 31.682
{o his 81}-4.691 5.786 31.91
{c his 81}P -5.371 6.759 31.682 {n his 82}-4.971 7.998 31.499
{ca his 82}-3.571 8.396 31.408
{c his 82}-3.06 9.29 32.439
{o his 82}-2.009 9.948 32.397
{c his 82}P -3.06 9.29 32.439 {n glu 83}-3.667 9.121 33.634
{ca glu 83}-3.309 9.991 34.682
{c glu 83}-1.821 9.812 35.075
{o glu 83}-1.07 10.806 35.319
{c glu 83}P -1.821 9.812 35.075 {n ala 84}-1.378 8.655 35.145
{ca ala 84}-.002 8.403 35.524
{c ala 84}1.056 8.94 34.582
{o ala 84}2.137 9.379 34.912
{c ala 84}P 1.056 8.94 34.582 {n glu 85}0.733 8.735 33.349
{ca glu 85}1.539 9.168 32.262
{ca leu 86}0.486 12.755 32.189
{ca lys 87}1.501 13.775 35.585
{ca pro 88}5.333 13.806 35.062
@vectorlist {trans pept} color= sky 
{ca lys 79}P -7.706 5.41 25.915 {c lys 79}-8.344 6.308 27.044
{n gly 80}-7.597 7.39 27.33
{ca gly 80}-8.175 8.331 28.311
@vectorlist {Hb} color= brown master= {Hbond} 
<2.01>{his 81 hn} P U -7.3 6.15 29.33 {lys 78 o} -6.88 5.01 28.63
@labellist {Gly 80} color= cyan master= {side ch} 
{G} -8.175 8.331 28.311
@vectorlist {other sc} color= yellowtint master= {side ch} 
{ca lys 79}P -7.706 5.41 25.915 {cb lys 79}-8.522 4.126 25.524
{cg lys 79}-7.75 3.347 24.349

@kinemage 4
@caption (B&T Fig. 6.10)
Cyclophilin (a Pro isomerase), with cis Ala-Pro bound (pink) and beta strands in skyblue.  Animate for a tour of the antiparallel beta barrel, the RH (greens) and LH (reds) crossover connections, and the binding interactions of the cis Ala-Pro substrate.  (from PDB file 2CYH)
@onewidth 
@viewid {Fig.6.20}
@zoom 1.00 
@zslab 201 
@center 16.781 15.380 13.982 
@matrix 
-.97212  .09959  .21229  .08680  .99385 -.06876 -.21784 -.04842 -.97479
@2viewid {barrel end}
@2zoom 1.00 
@2zslab 204 
@2center 16.781 15.380 13.982 
@2matrix 
-.36701  .27977  .88715  .87031 -.23344  .43366  .32842  .93126 -.15781
@3viewid {RH crossover}
@3zoom 1.0
@3zslab 201
@3center 16.749 15.915 16.934
@3matrix
-0.99627 .05738 .06453 .06232 .99505 .07735 -.05978 .08108 -.99492
@4viewid {LH crossover}
@4zoom 1.0
@4zslab 201
@4center 16.749 15.915 16.934
@4matrix
-0.98838 .08563 .12556 .08245 .99613 -.03033 -.12768 -.01963 -.99163
@5viewid {A-P closeup}
@5zoom 2.47 
@5zslab 187 
@5center 18.725 13.022 8.262 
@5matrix 
-.31870  .94707 -.03859  .93169  .30552 -.19647 -.17428 -.09857 -.97975
@group {cyclophilin}
@subgroup {Calphas} dominant 
@vectorlist {ca b} color= sky master= {beta} 
{ca asn a 3}P 2.495 25.741 17.951 {ca pro a 4}4.454 23.475 20.43
{ca thr a 5}8.025 24.071 21.551
{ca val a 6}10.284 21.161 22.5
{ca phe a 7}13.835 21.198 23.854
{ca phe a 8}16.878 18.983 23.707
{ca asp a 9}19.648 19.184 26.303
{ca ile a 10}22.786 18.077 24.462
{ca ala a 11}25.829 16.364 25.975
{ca val a 12}29.219 15.639 24.324
{ca asp a 13}30.788 12.499 25.857
{ca glu a 15}P 29.706 16.713 29.386 {ca pro a 16}26.791 19.232 29.146
{ca leu a 17}26.921 21.35 26.008
{ca gly a 18}23.666 23.299 26.119
{ca arg a 19}19.989 23.407 25.159
{ca val a 20}18.352 23.771 21.723
{ca ser a 21}14.595 24.441 21.559
{ca phe a 22}12.425 23.939 18.443
{ca glu a 23}9.149 25.393 17.269
{ca leu a 24}7.107 22.624 15.594
{ca phe a 25}4.758 23.695 12.828
{ca lys a 49}P 15.893 10.762 25.569 {ca gly a 50}19.334 9.222 25.694
{ca ser a 51}19.714 8.755 21.922
{ca cys a 52}22.596 10.146 19.861
{ca phe a 53}23.3 12.224 16.775
{ca his a 54}24.837 9.6 14.573
{ca arg a 55}25.66 11.621 11.433
{ca ile a 56}26.902 15.232 11.438
{ca ile a 57}28.295 16.796 8.283
{ca pro a 58}29.764 20.247 8.88
{ca phe a 60}P 25.299 20.829 5.875 {ca met a 61}23.294 19.213 8.761
{ca cys a 62}23.207 17.335 12.09
{ca gln a 63}21.161 14.102 12.037
{ca gly a 64}19.838 11.942 14.893
{ca gly a 65}16.634 10.199 16.038
{ca gly a 96}P 17.841 26.044 11.804 {ca ile a 97}15.362 24.078 9.62
{ca leu a 98}14.18 20.824 11.16
{ca ser a 99}13.296 18.156 8.621
{ca met a 100}12.625 14.419 8.371
{ca gln a 111}P 15.175 10.235 12.256 {ca phe a 112}15.439 13.949 11.627
{ca phe a 113}18.136 16.46 10.77
{ca ile a 114}18.766 20.09 11.598
{ca cys a 115}20.092 22.11 8.664
{ca thr a 116}23.073 24.373 9.251
{ca his a 126}P 12.192 15.616 2.884 {ca val a 127}9.279 16.922 4.979
{ca val a 128}10.154 20.166 6.796
{ca phe a 129}8.221 20.471 10.095
{ca gly a 130}10.032 22.796 12.533
{ca lys a 131}12.822 25.311 13.18
{ca val a 132}15.355 26.079 15.988
{ca lys a 155}P 29.425 10.905 21.264 {ca ile a 156}26.727 13.618 20.961
{ca thr a 157}23.612 12.673 23.009
{ca ile a 158}20.237 14.059 23.881
{ca ala a 159}20.772 13.937 27.644
{ca asp a 160}17.235 15.165 28.274
{ca cys a 161}14.31 16.401 26.164
{ca gly a 162}10.653 17.331 26.551
{ca gln a 163}8.046 19.98 25.877
{ca leu a 164}8.237 23.683 26.812
{ca glu a 165}5.125 25.186 24.96
@vectorlist {ca hx} color= pinktint master= {helix} 
{ca val a 29}P 2.346 19.6 9.253
{ca pro a 30}0.239 18.286 12.193
{ca lys a 31}0.914 14.535 11.842
{ca thr a 32}4.711 14.967 11.442
{ca ala a 33}4.974 17.587 14.212
{ca glu a 34}2.984 15.41 16.663
{ca asn a 35}5.271 12.405 16.029
{ca phe a 36}8.331 14.495 16.949
{ca arg a 37}6.561 16.148 19.946
{ca ala a 38}5.519 12.761 21.35
{ca leu a 39}8.973 11.241 20.782
{ca ser a 40}10.47 14.199 22.689
{ca thr a 41}8.207 13.739 25.739
{ca gly a 42}8.507 9.957 25.593
{ca gly a 135}P 20.3 27.536 20.855
{ca met a 136}21.337 27.703 17.187
{ca asn a 137}24.821 28.418 18.578
{ca ile a 138}24.62 25.019 20.344
{ca val a 139}23.849 23.337 16.939
{ca glu a 140}26.877 25.222 15.484
{ca ala a 141}29.032 23.87 18.354
{ca met a 142}27.796 20.264 17.753
{ca glu a 143}28.664 20.65 14.109
{ca arg a 144}32.363 20.857 14.938
{ca phe a 145}32.385 17.167 16.006
{ca gly a 146}31.159 15.874 12.635
@vectorlist {ca lp} color= white master= {loops} 
{ca val a 2}P .601 27.379 20.847 {ca asn a 3}2.495 25.741 17.951
{ca asp a 13}P 30.788 12.499 25.857 {ca gly a 14}28.714 12.998 29.008
{ca glu a 15}29.706 16.713 29.386
{ca phe a 25}P 4.758 23.695 12.828 {ca ala a 26}1.721 21.673 13.942
{ca asp a 27}-.429 24.226 12.095
{ca lys a 28}1.151 23.219 8.727
{ca val a 29}2.346 19.6 9.253
{ca gly a 42}P 8.507 9.957 25.593
{ca glu a 43}4.778 9.823 26.402
{ca lys a 44}3.998 6.702 24.27
{ca gly a 45}6.721 4.787 26.18
{ca phe a 46}9.689 5.309 23.787
{ca gly a 47}11.442 8.302 22.284
{ca tyr a 48}14.547 10.392 21.987
{ca lys a 49}15.893 10.762 25.569
{ca pro a 58}P 29.764 20.247 8.88 {ca gly a 59}28.282 23.038 6.774
{ca phe a 60}25.299 20.829 5.875
{ca gly a 65}P 16.634 10.199 16.038 {ca asp a 66}17.672 6.544 15.669
{ca phe a 67}16.864 5.448 19.223
{ca thr a 68}16.793 1.714 18.415
{ca arg a 69}20.089 .993 16.56
{ca his a 70}21.913 4.29 17.201
{ca asn a 71}23.513 4.343 13.744
{ca gly a 72}20.915 5.419 11.186
{ca thr a 73}19.462 1.971 10.483
{ca gly a 74}16.546 2.14 12.94
{ca gly a 75}14.05 4.239 14.828
{ca lys a 76}10.219 4.073 14.544
{ca ser a 77}7.355 6.575 14.572
{ca ile a 78}4.411 6.722 17.009
{ca tyr a 79}2.271 5.529 14.028
{ca gly a 80}4.272 2.377 13.251
{ca glu a 81}7.62 1.667 11.69
{ca lys a 82}7.09 4.243 8.879
{ca phe a 83}4.484 6.78 7.754
{ca glu a 84}3.875 8.841 4.621
{ca asp a 85}5.212 12.159 3.502
{ca glu a 86}2.533 14.465 4.836
{ca asn a 87}3.096 17.437 2.47
{ca phe a 88}5.997 19.51 1.131
{ca ile a 89}4.605 22.993 1.807
{ca leu a 90}7.657 24.172 3.739
{ca lys a 91}11.097 24.511 2.188
{ca his a 92}14.738 24.155 3.432
{ca thr a 93}15.326 27.89 3.511
{ca gly a 94}18.379 28.19 5.757
{ca pro a 95}20.18 27.144 8.98
{ca gly a 96}17.841 26.044 11.804
{ca met a 100}P 12.625 14.419 8.371 {ca ala a 101}15.353 12.032 7.296
{c ala a 101}14.508 10.849 6.822
{o ala a 101}13.505 10.489 7.463
{c ala a 101}P 14.508 10.849 6.822 {n asn a 102}14.867 10.228 5.699
{ca asn a 102}14.086 9.095 5.216
{c asn a 102}14.93 8.204 4.323
{o asn a 102}16.113 8.488 4.073
{c asn a 102}P 14.93 8.204 4.323 {n ala a 103}14.325 7.104 3.902
{ca ala a 103}14.958 6.132 3.043
{ca gly a 104}12.858 7.123 .024
{ca pro a 105}9.237 8.295 -.541
{ca asn a 106}6.859 7.712 2.384
{ca thr a 107}9.403 6.061 4.735
{ca asn a 108}9.327 8.568 7.647
{ca gly a 109}10.196 7.019 11.043
{ca ser a 110}11.957 8.922 13.851
{ca gln a 111}15.175 10.235 12.256
{ca thr a 116}P 23.073 24.373 9.251 {ca ala a 117}22.858 25.806 5.675
{ca lys a 118}20.175 26.493 3.058
{ca thr a 119}19.672 23.065 1.449
{ca glu a 120}17.263 23.681 -1.442
{ca trp a 121}18.19 20.406 -3.203
{ca leu a 122}16.235 18.583 -.452
{ca asp a 123}12.933 20.399 -1.146
{ca gly a 124}10.164 18.06 -2.154
{ca lys a 125}12.238 15.068 -.931
{ca his a 126}12.192 15.616 2.884
{ca val a 132}P 15.355 26.079 15.988 {ca lys a 133}13.869 28.709 18.291
{ca glu a 134}16.876 29.115 20.7
{ca gly a 135}20.3 27.536 20.855
{ca gly a 146}P 31.159 15.874 12.635
{ca ser a 147}33.114 15.079 9.452
{ca arg a 148}32.894 14.749 5.643
{ca asn a 149}31.422 11.216 5.842
{ca gly a 150}29.206 12.116 8.841
{ca lys a 151}31.127 10.165 11.519
{ca thr a 152}31.395 12.094 14.826
{ca ser a 153}34.627 12.346 16.855
{ca lys a 154}32.741 12.525 20.202
{ca lys a 155}29.425 10.905 21.264
@group dominant {cis Ala-Pro} 
@balllist {N} color= sky radius= .15
{n ala b 1}18.91 9.025 4.41
@balllist {O} color= red radius= .15
{o ala b 1}17.659 11.172 5.077
{o pro b 2}21.791 11.592 5.258
{oxt pro b 2}22.913 12.525 3.712
@vectorlist {mc} color= pinktint 
{n ala b 1}P 18.91 9.025 4.41 {ca ala b 1}19.254 10.174 3.615
{c ala b 1}18.704 11.35 4.418
{o ala b 1}17.659 11.172 5.077
{c ala b 1}P 18.704 11.35 4.418 {n pro b 2}19.307 12.552 4.361
{ca pro b 2}20.548 12.827 3.631
{c pro b 2}21.843 12.304 4.261
{o pro b 2}21.791 11.592 5.258
{c pro b 2}P 21.843 12.304 4.261 {oxt pro b 2}22.913 12.525 3.712
@vectorlist {sc} color= hotpink 
{ca ala b 1}P 19.254 10.174 3.615 {cb ala b 1}18.543 10.14 2.282
{ca pro b 2}P 20.548 12.827 3.631 {cb pro b 2}20.487 14.323 3.465
{cg pro b 2}19.852 14.782 4.747
{cd pro b 2}18.765 13.754 4.968
{n pro b 2}P 19.307 12.552 4.361 {cd pro b 2}18.765 13.754 4.968
@group {barrel side} animate moview= 1
@group {barrel end} animate moview= 2
@group {RHcrossovr} dominant animate moview= 3
@vectorlist {hx} color= white instance= {ca hx}
@vectorlist {RH b} color= greentint master= {crossovers}
{ca gln a 111}P 15.175 10.235 12.256 {ca phe a 112}15.439 13.949 11.627
{ca phe a 113}18.136 16.46 10.77
{ca ile a 114}18.766 20.09 11.598
{ca cys a 115}20.092 22.11 8.664
{ca thr a 116}23.073 24.373 9.251
{ca his a 126}P 12.192 15.616 2.884 {ca val a 127}9.279 16.922 4.979
{ca val a 128}10.154 20.166 6.796
{ca phe a 129}8.221 20.471 10.095
{ca gly a 130}10.032 22.796 12.533
{ca lys a 131}12.822 25.311 13.18
{ca val a 132}15.355 26.079 15.988
{arw 116}P 22.346 22.074 8.592
{ca thr a 116} 23.073 24.373 9.251
{arw 116} 20.577 24.226 9.275
{arw 132}P 13.066 26.563 15.106
{ca val a 132} 15.355 26.079 15.988
{arw 132} 14.955 24.780 13.89
@vectorlist {RH lp} color= green master= {crossovers}
{ca thr a 116}P 23.073 24.373 9.251 {ca ala a 117}22.858 25.806 5.675
{ca lys a 118}20.175 26.493 3.058
{ca thr a 119}19.672 23.065 1.449
{ca glu a 120}17.263 23.681 -1.442
{ca trp a 121}18.19 20.406 -3.203
{ca leu a 122}16.235 18.583 -.452
{ca asp a 123}12.933 20.399 -1.146
{ca gly a 124}10.164 18.06 -2.154
{ca lys a 125}12.238 15.068 -.931
{ca his a 126}12.192 15.616 2.884
@group {LHcrossovr} dominant animate moview= 4
@vectorlist {hx} color= white instance= {ca hx}
@vectorlist {LH b} color= pink master= {crossovers}
{ca phe a 60}P 25.299 20.829 5.875 {ca met a 61}23.294 19.213 8.761
{ca cys a 62}23.207 17.335 12.09
{ca gln a 63}21.161 14.102 12.037
{ca gly a 64}19.838 11.942 14.893
{ca gly a 65}16.634 10.199 16.038
{ca gly a 96}P 17.841 26.044 11.804 {ca ile a 97}15.362 24.078 9.62
{ca leu a 98}14.18 20.824 11.16
{ca ser a 99}13.296 18.156 8.621
{ca met a 100}12.625 14.419 8.371
{arw 65}P 18.738 9.951 14.711
{ca gly a 65} 16.634 10.199 16.038
{arw 65} 17.963 12.314 16.139
{arw 100}P 14.380 16.196 8.266
{ca met a 100} 12.625 14.419 8.371
{arw 100} 11.592 16.665 8.745
@vectorlist {LH lp} color= hotpink master= {crossovers}
{ca gly a 65}P 16.634 10.199 16.038 {ca asp a 66}17.672 6.544 15.669
{ca phe a 67}16.864 5.448 19.223
{ca thr a 68}16.793 1.714 18.415
{ca arg a 69}20.089 .993 16.56
{ca his a 70}21.913 4.29 17.201
{ca asn a 71}23.513 4.343 13.744
{ca gly a 72}20.915 5.419 11.186
{ca thr a 73}19.462 1.971 10.483
{ca gly a 74}16.546 2.14 12.94
{ca gly a 75}14.05 4.239 14.828
{ca lys a 76}10.219 4.073 14.544
{ca ser a 77}7.355 6.575 14.572
{ca ile a 78}4.411 6.722 17.009
{ca tyr a 79}2.271 5.529 14.028
{ca gly a 80}4.272 2.377 13.251
{ca glu a 81}7.62 1.667 11.69
{ca lys a 82}7.09 4.243 8.879
{ca phe a 83}4.484 6.78 7.754
{ca glu a 84}3.875 8.841 4.621
{ca asp a 85}5.212 12.159 3.502
{ca glu a 86}2.533 14.465 4.836
{ca asn a 87}3.096 17.437 2.47
{ca phe a 88}5.997 19.51 1.131
{ca ile a 89}4.605 22.993 1.807
{ca leu a 90}7.657 24.172 3.739
{ca lys a 91}11.097 24.511 2.188
{ca his a 92}14.738 24.155 3.432
{ca thr a 93}15.326 27.89 3.511
{ca gly a 94}18.379 28.19 5.757
{ca pro a 95}20.18 27.144 8.98
{ca gly a 96}17.841 26.044 11.804
@group {contacts} dominant animate moview= 5
@balllist {N} color= sky radius= .15
{ne arg a 55}24.315 11.141 6.57
{nh1 arg a 55}26.543 10.484 6.182
{nh2 arg a 55}25.363 11.494 4.521
@vectorlist {sc p} color= cyan 
{ca arg a 55}P 25.66 11.621 11.433 {cb arg a 55}24.791 11.014 10.323
{cg arg a 55}25.136 11.434 8.894
{cd arg a 55}24.266 10.638 7.936
{ne arg a 55}24.315 11.141 6.57
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@vectorlist {sc h} color= yellow 
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{cg met a 61}22.311 17.388 7.182
{sd met a 61}22.234 15.82 8.077
{ce met a 61}23.659 14.992 7.447
{ca ala a 101}P 15.353 12.032 7.296 {cb ala a 101}16.487 11.485 8.161
{ca phe a 113}P 18.136 16.46 10.77 {cb phe a 113}18.881 16.207 9.432
{cg phe a 113}18.125 16.533 8.149
{cd1 phe a 113}17.197 15.612 7.645
{ce1 phe a 113}16.492 15.921 6.488
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{cg leu a 122}18.176 18.097 1.226
{cd1 leu a 122}18.539 18.238 2.703
{cg leu a 122}P 18.176 18.097 1.226 {cd2 leu a 122}18.359 16.654 .748
@vectorlist {Hb} color= purple
{o ala b 1}P 17.01 10.953 5.222 {n asn a 102}15.516 10.447 5.554
{n ala b 1}P 18.227 8.894 4.328 {o asn a 102}16.796 8.619 4.155
{ne arg a 55}P 23.702 11.251 6.251 {o pro b 2}22.404 11.482 5.577
{nh2 arg a 55}P 24.746 11.754 4.317 {oxt pro b 2}23.53 12.265 3.916

@kinemage 5 
@caption  (B&T Fig. 6.13, 6.12b)
Animation of changes between the GroEL and the GroEL/GroES complexes, with bottom ring of 7 GroEL subunits in bluetint, top 7 GroEL subunits in greentint, bound ATP/ADP phosphates in red, and the cap of 7 GroES subunits in yellowtint.  To see changes in the internal cavity, animate in View4.  (from PDB files 1DER, 1AON) 
@onewidth 
@1viewid {side}
@1zoom 1.19
@1zslab 150
@1center 78.868 -52.167 -21.675
@1matrix 
0 0 1  -1 0 0  0 -1 0
@2viewid {top}
@2zoom 1.49
@2zslab 250
@2center 78.868 -52.167 -21.675
@2matrix
 1 0 0  0 -1 0  0 0 -1
@3viewid {bottom}
@3zoom 1.49
@3zslab 250
@3center 78.868 -52.167 -21.675
@3matrix
 1 0 0  0 1 0  0 0 1
@4viewid {slice}
@4zoom 1.19
@4zslab 30
@4center 78.868 -52.167 -21.675
@4matrix
-.13066 -.00566 .99141 -.9914 .00847 -.13061 -.00765 -.99995 -.00672
@5viewid {GroES}
@5zoom 2.08
@5zslab 113
@5center 78.676 -51.332 -108.7
@5matrix
1 0 0  0 -1 0  0 0 -1
@group {GroEL apo} animate
@subgroup {1-7 ring} dominant
@vectorlist {Calphas} color= greentint 
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{ca asp a 334}52.517 -6.131 -51.798
{ca gly a 335}50.983 -8.575 -54.249
{ca val a 336}51.693 -8.597 -57.988
{ca gly a 337}48.429 -7.963 -59.817
{ca glu a 338}47.513 -4.509 -58.593
{ca glu a 339}44.542 -2.334 -59.525
{ca ala a 340}42.579 -3.858 -62.478
{ca ala a 341}42.699 -7.479 -61.25
{ca ile a 342}42.158 -6.86 -57.522
{ca gln a 343}39.684 -4.014 -58.07
{ca gly a 344}37.547 -6.125 -60.392
{ca arg a 345}37.487 -8.874 -57.772
{ca val a 346}36.325 -6.297 -55.217
{ca ala a 347}33.522 -5.206 -57.557
{ca gln a 348}32.105 -8.75 -57.71
{ca ile a 349}32.032 -9.425 -53.969
{ca arg a 350}30.78 -5.886 -53.284
{ca gln a 351}27.91 -6.744 -55.589
{ca gln a 352}27.382 -10.065 -53.757
{ca ile a 353}26.278 -8.286 -50.572
{ca glu a 354}23.525 -6.572 -52.582
{ca glu a 355}22.116 -9.994 -53.468
{ca ala a 356}20.335 -10.146 -50.125
{ca thr a 357}19.968 -13.669 -48.792
{ca ser a 358}21.137 -14.373 -45.239
{ca asp a 359}22.618 -11.683 -43.014
{ca tyr a 360}25.375 -14.233 -42.424
{ca asp a 361}26.624 -14.277 -46.016
{ca arg a 362}26.818 -10.48 -46.14
{ca glu a 363}29.01 -10.448 -43.021
{ca lys a 364}31.415 -13.025 -44.46
{ca leu a 365}31.535 -11.334 -47.871
{ca gln a 366}32.193 -8.006 -46.137
{ca glu a 367}35.247 -9.559 -44.484
{ca arg a 368}36.623 -10.485 -47.908
{ca val a 369}36.286 -7.033 -49.505
{ca ala a 370}37.782 -5.527 -46.344
{ca lys a 371}40.873 -7.693 -46.818
{ca leu a 372}41.478 -6.947 -50.514
{ca ala a 373}40.459 -3.279 -50.526
{ca gly a 374}42.443 -2.658 -47.349
{ca gly a 375}46.108 -3.404 -47.869
{ca val a 376}49.127 -3.529 -45.59
{ca ala a 377}50.612 -.413 -43.992
{ca val a 378}54.376 -.805 -44.376
{ca ile a 379}56.295 1.053 -41.651
{ca lys a 380}59.929 1.531 -42.656
{ca val a 381}62.023 2.42 -39.602
{ca gly a 382}64.509 5.278 -39.403
{ca ala a 383}67.787 4.13 -40.907
{ca ala a 384}70.24 5.126 -38.208
{ca thr a 385}73.615 3.702 -39.327
{ca glu a 386}71.827 .511 -40.509
{ca val a 387}72.908 -.957 -37.142
{ca glu a 388}70.505 1.091 -35.014
{ca met a 389}67.857 .139 -37.585
{ca lys a 390}67.536 -3.195 -35.791
{ca glu a 391}67.038 -1.494 -32.41
{ca lys a 392}64.565 1.073 -33.756
{ca lys a 393}62.737 -1.716 -35.623
{ca ala a 394}62.437 -3.916 -32.531
{ca arg a 395}61.208 -.966 -30.461
{ca val a 396}58.515 -.139 -33.029
{ca glu a 397}57.122 -3.661 -33.393
{ca asp a 398}56.948 -4.11 -29.602
{ca ala a 399}55.077 -.801 -29.303
{ca leu a 400}52.854 -1.64 -32.276
{ca his a 401}51.86 -4.976 -30.758
{ca ala a 402}51.045 -3.277 -27.443
{ca thr a 403}49.053 -.503 -29.115
{ca arg a 404}46.869 -2.91 -31.114
{ca ala a 405}46.044 -4.81 -27.922
{ca ala a 406}45.111 -1.518 -26.242
{ca val a 407}42.903 -.519 -29.164
{ca glu a 408}40.765 -3.662 -29.125
{ca glu a 409}40.041 -3.898 -25.378
{ca gly a 410}41.269 -.639 -23.847
{ca val a 411}43.744 -.031 -21.021
{ca val a 412}43.673 -.258 -17.225
{ca ala a 413}45.942 .964 -14.437
{ca gly a 414}49.222 -.946 -14.427
{ca gly a 415}51.37 -2.13 -11.545
{ca gly a 416}48.793 -4.757 -10.63
{ca val a 417}46.46 -2.1 -9.233
{ca ala a 418}43.657 -2.898 -11.707
{ca leu a 419}43.153 -6.414 -10.327
{ca ile a 420}43.316 -5.135 -6.737
{ca arg a 421}40.677 -2.505 -7.528
{ca val a 422}38.552 -5.252 -9.115
{ca ala a 423}38.955 -7.499 -6.056
{ca ser a 424}37.652 -4.716 -3.806
{ca lys a 425}34.382 -4.618 -5.753
{ca leu a 426}33.862 -8.391 -5.471
{ca ala a 427}34.123 -8.412 -1.654
{ca asp a 428}30.405 -9.249 -1.355
{ca leu a 429}30.49 -11.989 -3.997
{ca arg a 430}29.037 -15.263 -2.709
{ca gly a 431}28.385 -18.755 -4.02
{ca gln a 432}26.084 -21.709 -3.375
{ca asn a 433}28.012 -22.813 -.253
{ca glu a 434}30.966 -22.217 2.104
{ca asp a 435}33.442 -24.073 -.102
{ca gln a 436}32.37 -21.959 -3.066
{ca asn a 437}32.829 -18.859 -.908
{ca val a 438}36.37 -19.958 .01
{ca gly a 439}37.226 -20.469 -3.649
{ca ile a 440}35.933 -16.965 -4.396
{ca lys a 441}38.18 -15.481 -1.716
{ca val a 442}41.092 -17.571 -3.041
{ca ala a 443}40.737 -15.795 -6.388
{ca leu a 444}40.419 -12.347 -4.796
{ca arg a 445}43.56 -12.866 -2.686
{ca ala a 446}45.468 -13.96 -5.788
{ca met a 447}44.559 -10.694 -7.525
{ca glu a 448}46.923 -8.928 -5.119
{ca ala a 449}49.827 -11.247 -5.976
{ca pro a 450}51.09 -9.252 -9.016
{ca leu a 451}51.41 -5.942 -7.128
{ca arg a 452}52.864 -7.682 -4.066
{ca gln a 453}55.486 -9.345 -6.254
{ca ile a 454}56.371 -6.116 -8.068
{ca val a 455}56.841 -4.437 -4.687
{ca leu a 456}58.774 -7.437 -3.33
{ca asn a 457}61.285 -7.123 -6.168
{ca cys a 458}61.681 -3.395 -5.437
{ca gly a 459}62.927 -4.282 -1.969
{ca glu a 460}59.871 -2.756 -.285
{ca glu a 461}57.346 -4.425 2.027
{ca pro a 462}54.443 -5.759 -.11
{ca ser a 463}51.942 -5.898 2.768
{ca val a 464}52.389 -2.166 3.449
{ca val a 465}52.223 -.95 -.161
{ca ala a 466}49.251 -3.234 -.857
{ca asn a 467}47.426 -1.887 2.191
{ca thr a 468}48.034 1.713 1.05
{ca val a 469}46.858 1.142 -2.53
{ca lys a 470}43.778 -.715 -1.259
{ca gly a 471}43.169 2.36 .867
{ca gly a 472}43.231 4.585 -2.197
{ca asp a 473}40.687 4.851 -5.015
{ca gly a 474}40.543 4.261 -8.75
{ca asn a 475}43.846 4.742 -10.564
{ca tyr a 476}45.682 5.35 -7.292
{ca gly a 477}48.646 3.009 -7.344
{ca tyr a 478}52.334 2.566 -6.595
{ca asn a 479}55.024 3.516 -9.107
{ca ala a 480}57.707 .862 -8.615
{ca ala a 481}60.146 2.812 -10.788
{ca thr a 482}60.195 6.037 -8.749
{ca glu a 483}59.12 4.391 -5.471
{ca glu a 484}56.232 6.898 -5.304
{ca tyr a 485}52.425 6.634 -5.063
{ca gly a 486}50.102 8.491 -7.435
{ca asn a 487}47.678 8.246 -10.355
{ca met a 488}48.966 5.328 -12.45
{ca ile a 489}47.463 6.601 -15.693
{ca asp a 490}48.826 10.117 -15.157
{ca met a 491}52.239 8.541 -14.54
{ca gly a 492}51.98 6.553 -17.758
{ca ile a 493}51.836 3.098 -16.176
{ca leu a 494}49.203 1.333 -18.281
{ca asp a 495}48.28 -2.285 -18.998
{ca pro a 496}46.143 -3.459 -21.926
{ca thr a 497}42.881 -4.86 -20.544
{ca lys a 498}43.555 -7.747 -22.924
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{ca thr a 500}45.249 -8.505 -17.804
{ca arg a 501}42.085 -10.549 -18.4
{ca ser a 502}43.991 -13.161 -20.41
{ca ala a 503}46.526 -13.578 -17.613
{ca leu a 504}43.75 -14.028 -15.044
{ca gln a 505}41.61 -16.392 -17.132
{ca tyr a 506}44.48 -18.702 -18.083
{ca ala a 507}45.822 -18.709 -14.535
{ca ala a 508}42.372 -19.696 -13.237
{ca ser a 509}41.804 -22.439 -15.824
{ca val a 510}45.081 -24.286 -15.23
{ca ala a 511}44.68 -23.749 -11.484
{ca gly a 512}41.156 -25.125 -11.722
{ca leu a 513}42.442 -28.278 -13.396
{ca met a 514}45.21 -28.883 -10.848
{ca ile a 515}42.867 -28.344 -7.893
{ca thr a 516}40.479 -30.857 -9.481
{ca thr a 517}43.279 -33.429 -9.903
{ca glu a 518}42.959 -36.59 -7.777
{ca cys a 519}45.553 -38.869 -9.378
{ca met a 520}48.93 -38.692 -11.148
{ca val a 521}50.636 -41.397 -13.205
{ca thr a 522}54.235 -41.379 -14.484
{ca asp a 523}56.916 -43.759 -15.767
{ca leu a 524}58.723 -45.256 -12.782
{ca pro a 525}62.332 -44.054 -12.22
{ca lys a 526}63.268 -47.643 -11.3
@balllist {P} color= red master= {ATP} radius= .7 master= {ATP}
{pg atp a 1}P 56.532 -11.049 -19.401
{pb atp a 1}P 54.761 -9.657 -17.635
{pa atp a 1}P 56.873 -7.675 -16.895
@vectorlist {Calphas} color= greentint 
{ca ala b 2}P 67.133 -32.285 -19.133 {ca ala b 3}66.373 -32.026 -15.405
{ca lys b 4}67.582 -28.803 -13.798
{ca asp b 5}69.033 -27.657 -10.49
{ca val b 6}67.604 -24.304 -9.374
{ca lys b 7}69.137 -22.09 -6.674
{ca phe b 8}67.858 -18.833 -5.191
{ca gly b 9}69.216 -15.788 -3.373
{ca asn b 10}72.028 -16.476 -.912
{ca asp b 11}72.497 -20.072 -2.129
{ca ala b 12}73.261 -18.803 -5.632
{ca gly b 13}75.323 -15.929 -4.235
{ca val b 14}77.836 -18.061 -2.343
{ca lys b 15}78.241 -20.251 -5.428
{ca met b 16}78.946 -17.35 -7.795
{ca leu b 17}81.314 -15.782 -5.272
{ca arg b 18}83.204 -19.078 -5.014
{ca gly b 19}83.472 -19.422 -8.778
{ca val b 20}84.774 -15.901 -9.376
{ca asn b 21}87.262 -16.213 -6.509
{ca val b 22}88.809 -19.3 -8.088
{ca leu b 23}89.097 -17.478 -11.428
{ca ala b 24}90.329 -14.147 -10.072
{ca asp b 25}92.794 -15.745 -7.63
{ca ala b 26}94.448 -17.737 -10.426
{ca val b 27}94.546 -14.788 -12.805
{ca lys b 28}95.534 -11.99 -10.413
{ca val b 29}98.865 -13.529 -9.368
{ca thr b 30}100.112 -12.677 -12.87
{ca leu b 31}99.429 -8.938 -12.592
{ca gly b 32}102.234 -6.39 -12.786
{ca pro b 33}106.082 -6.481 -13.031
{ca lys b 34}106.457 -9.008 -10.233
{ca gly b 35}103.697 -11.183 -11.658
{ca arg b 36}104.088 -14.789 -10.561
{ca asn b 37}104.026 -17.8 -12.897
{ca val b 38}100.999 -20.033 -13.428
{ca val b 39}101.44 -23.627 -14.633
{ca leu b 40}98.77 -24.805 -17.077
{ca asp b 41}98.58 -28.56 -17.712
{ca lys b 42}99.166 -29.384 -21.387
{ca ser b 43}98.3 -33.124 -21.391
{ca phe b 44}100.217 -33.625 -24.647
{ca gly b 45}103.719 -32.588 -23.646
{ca ala b 46}105.389 -30.236 -21.181
{ca pro b 47}103.031 -27.985 -19.157
{ca thr b 48}102.754 -24.281 -19.976
{ca ile b 49}104.256 -21.634 -17.678
{ca thr b 50}102.805 -18.149 -18.246
{ca lys b 51}102.301 -14.768 -16.642
{ca asp b 52}99.556 -13.955 -19.152
{ca gly b 53}96.239 -13.582 -17.362
{ca val b 54}94.31 -14.24 -20.565
{ca ser b 55}95.985 -17.63 -21.129
{ca val b 56}95.205 -18.696 -17.573
{ca ala b 57}91.569 -17.538 -17.609
{ca arg b 58}90.85 -19.389 -20.854
{ca glu b 59}91.687 -22.666 -19.056
{ca ile b 60}89.35 -22.027 -16.106
{ca glu b 61}86.342 -24.326 -15.688
{ca leu b 62}84.992 -25.64 -12.388
{ca glu b 63}83.276 -28.896 -11.425
{ca asp b 64}80.382 -27.333 -9.481
{ca lys b 65}77.827 -26.25 -12.087
{ca phe b 66}76.849 -23.056 -10.251
{ca glu b 67}80.408 -22.057 -9.363
{ca asn b 68}81.415 -22.558 -12.977
{ca met b 69}78.615 -20.227 -14.086
{ca gly b 70}79.981 -17.493 -11.841
{ca ala b 71}83.5 -17.936 -13.204
{ca gln b 72}82.242 -17.99 -16.785
{ca met b 73}80.316 -14.723 -16.33
{ca val b 74}83.352 -12.753 -15.128
{ca lys b 75}85.569 -14.369 -17.75
{ca glu b 76}83.4 -12.883 -20.506
{ca val b 77}83.569 -9.364 -19.117
{ca ala b 78}87.37 -9.607 -19.126
{ca ser b 79}87.041 -10.887 -22.695
{ca lys b 80}85.089 -7.747 -23.612
{ca ala b 81}87.695 -5.532 -21.956
{ca asn b 82}90.544 -7.087 -23.924
{ca asp b 83}88.358 -7.167 -27.025
{ca ala b 84}87.604 -3.44 -26.715
{ca ala b 85}90.927 -1.999 -25.514
{ca gly b 86}93.338 -4.827 -26.284
{ca asp b 87}94.692 -5.065 -22.741
{ca gly b 88}93.745 -5.003 -19.064
{ca thr b 89}92.151 -8.462 -18.841
{ca thr b 90}93.771 -9.192 -15.475
{ca thr b 91}93.036 -5.654 -14.259
{ca ala b 92}89.329 -5.981 -15.116
{ca thr b 93}89.192 -9.363 -13.355
{ca val b 94}90.685 -8.034 -10.112
{ca leu b 95}88.273 -5.084 -10.233
{ca ala b 96}85.311 -7.377 -10.808
{ca gln b 97}86.241 -9.65 -7.894
{ca ala b 98}86.597 -6.656 -5.555
{ca ile b 99}83.186 -5.241 -6.507
{ca ile b 100}81.47 -8.632 -6.42
{ca thr b 101}82.93 -9.782 -3.09
{ca glu b 102}81.924 -6.674 -1.152
{ca gly b 103}78.819 -6.24 -3.282
{ca leu b 104}77.429 -9.644 -2.335
{ca lys b 105}78.525 -9.132 1.286
{ca ala b 106}76.324 -6.031 1.256
{ca val b 107}73.401 -7.971 -.208
{ca ala b 108}73.783 -10.691 2.445
{ca ala b 109}73.759 -7.913 5.05
{ca gly b 110}70.25 -7.101 3.845
{ca met b 111}70.971 -4.16 1.563
{ca asn b 112}68.888 -3.552 -1.558
{ca pro b 113}70.528 -5.061 -4.708
{ca met b 114}69.02 -2.539 -7.125
{ca asp b 115}70.403 .332 -5.048
{ca leu b 116}73.864 -1.189 -4.598
{ca lys b 117}74.128 -1.576 -8.368
{ca arg b 118}72.946 1.992 -8.949
{ca gly b 119}75.493 3.324 -6.473
{ca ile b 120}78.287 1.318 -8.094
{ca asp b 121}77.281 2.591 -11.533
{ca lys b 122}77.113 6.196 -10.308
{ca ala b 123}80.665 5.987 -8.962
{ca val b 124}82.057 4.521 -12.184
{ca thr b 125}80.203 7.109 -14.28
{ca val b 126}81.821 9.958 -12.344
{ca ala b 127}85.16 8.114 -12.143
{ca val b 128}85.663 7.751 -15.907
{ca glu b 129}85.193 11.522 -16.274
{ca glu b 130}87.735 12.363 -13.594
{ca leu b 131}90.06 9.77 -15.11
{ca lys b 132}90.067 11.942 -18.25
{ca ala b 133}91.43 14.763 -16.093
{ca leu b 134}94.506 12.661 -15.3
{ca ser b 135}94.94 11.703 -18.955
{ca val b 136}97.961 12.951 -20.904
{ca pro b 137}97.396 13.56 -24.665
{ca cys b 138}99.253 11.654 -27.371
{ca ser b 139}98.702 13.852 -30.434
{ca asp b 140}102.094 14.814 -31.882
{ca ser b 141}104.635 12.469 -33.495
{ca lys b 142}107.058 12.69 -30.557
{ca ala b 143}104.328 11.499 -28.181
{ca ile b 144}103.202 8.74 -30.553
{ca ala b 145}106.82 7.554 -30.706
{ca gln b 146}107.382 8.05 -26.969
{ca val b 147}104.469 5.685 -26.251
{ca gly b 148}105.516 3.257 -28.976
{ca thr b 149}109.04 2.838 -27.602
{ca ile b 150}107.8 2.367 -24.033
{ca ser b 151}105.249 -.257 -25.095
{ca ala b 152}107.948 -2.142 -27.015
{ca asn b 153}110.14 -2.47 -23.906
{ca ser b 154}112.004 .793 -24.624
{ca asp b 155}112.901 -.041 -28.241
{ca glu b 156}113.695 3.259 -29.995
{ca thr b 157}113.254 1.698 -33.445
{ca val b 158}109.702 .429 -32.869
{ca gly b 159}108.593 3.832 -31.615
{ca lys b 160}110.066 5.553 -34.674
{ca leu b 161}108.311 3.028 -36.946
{ca ile b 162}104.787 3.557 -35.588
{ca ala b 163}105.27 7.339 -35.547
{ca glu b 164}106.215 7.399 -39.23
{ca ala b 165}103.541 4.817 -40.069
{ca met b 166}100.726 6.891 -38.57
{ca asp b 167}102.268 9.863 -40.345
{ca lys b 168}101.879 8.219 -43.763
{ca val b 169}98.316 6.914 -43.428
{ca gly b 170}97.069 9.157 -40.629
{ca lys b 171}96.258 8.276 -37.02
{ca glu b 172}92.954 6.858 -38.283
{ca gly b 173}94.431 4.888 -41.183
{ca val b 174}94.999 1.139 -41.46
{ca ile b 175}98.382 -.27 -40.44
{ca thr b 176}99.55 -3.879 -40.578
{ca val b 177}102.916 -5.416 -39.764
{ca glu b 178}104.542 -8.365 -41.538
{ca asp b 179}107.846 -10.2 -41.996
{ca gly b 180}110.838 -8.433 -43.523
{ca thr b 181}112.767 -9.601 -46.589
{ca gly b 182}116.147 -9.206 -44.904
{ca leu b 183}117.246 -6.817 -42.152
{ca gln b 184}116.268 -3.15 -41.774
{ca asp b 185}112.73 -1.852 -41.369
{ca glu b 186}110.393 -1.212 -44.281
{ca leu b 187}107.278 .931 -44.527
{ca asp b 188}105.088 1.1 -47.62
{ca val b 189}101.577 2.288 -48.48
{ca val b 190}100.001 -.536 -50.492
{ca glu b 191}96.51 -.427 -51.999
{ca gly b 192}93.914 -1.765 -49.576
{ca met b 193}90.664 -1.458 -47.626
{ca gln b 194}89.117 -2.209 -44.212
{ca phe b 195}85.469 -2.899 -43.364
{ca asp b 196}83.548 -3.762 -40.177
{ca arg b 197}82.825 -7.421 -40.95
{ca gly b 198}84.188 -10.524 -39.273
{ca tyr b 199}84.261 -14.237 -40.013
{ca leu b 200}80.708 -15.586 -40.041
{ca ser b 201}81.931 -18.782 -38.407
{ca pro b 202}84.747 -19.425 -35.896
{ca tyr b 203}87.338 -22.199 -36.402
{ca phe b 204}88.399 -20.339 -39.579
{ca ile b 205}90.921 -18.783 -37.193
{ca asn b 206}94.253 -20.116 -38.46
{ca lys b 207}96.03 -17.771 -36.015
{ca pro b 208}94.921 -19.006 -32.552
{ca glu b 209}96.954 -16.393 -30.63
{ca thr b 210}95.528 -13.524 -32.684
{ca gly b 211}91.936 -14.673 -33.097
{ca ala b 212}92.247 -13.82 -36.778
{ca val b 213}92.323 -15.504 -40.18
{ca glu b 214}95.332 -14.593 -42.32
{ca leu b 215}95.098 -15.619 -45.982
{ca glu b 216}98.073 -15.182 -48.32
{ca ser b 217}97.48 -14.465 -52.018
{ca pro b 218}93.753 -15.354 -51.872
{ca phe b 219}90.99 -15.152 -54.464
{ca ile b 220}88.01 -13.059 -53.38
{ca leu b 221}84.554 -14.248 -54.429
{ca leu b 222}82.021 -11.42 -54.188
{ca ala b 223}78.295 -12.232 -54.271
{ca asp b 224}74.918 -10.554 -53.653
{ca lys b 225}73.284 -13.828 -52.576
{ca lys b 226}72.933 -15.957 -49.411
{ca ile b 227}75.079 -19.068 -49.847
{ca ser b 228}73.602 -22.179 -48.225
{ca asn b 229}74.319 -24.875 -50.844
{ca ile b 230}77.362 -26.998 -50.029
{ca arg b 231}77.078 -29.141 -53.178
{ca glu b 232}77.269 -26.057 -55.416
{ca met b 233}80.428 -24.555 -53.93
{ca leu b 234}82.471 -27.759 -54.432
{ca pro b 235}82.918 -27.369 -58.236
{ca val b 236}83.865 -23.686 -57.813
{ca leu b 237}86.295 -24.437 -54.944
{ca glu b 238}87.78 -27.199 -57.093
{ca ala b 239}88.992 -24.674 -59.696
{ca val b 240}90.381 -22.445 -56.923
{ca ala b 241}92.436 -25.334 -55.493
{ca lys b 242}94.545 -25.172 -58.681
{ca ala b 243}96.882 -22.29 -57.779
{ca gly b 244}95.698 -19.861 -55.138
{ca lys b 245}94.356 -22.206 -52.447
{ca pro b 246}93.074 -19.374 -50.199
{ca leu b 247}89.582 -18.043 -50.989
{ca leu b 248}87.663 -15.23 -49.268
{ca ile b 249}83.871 -15.277 -49.632
{ca ile b 250}82.471 -11.743 -49.38
{ca ala b 251}78.771 -12.47 -49.938
{ca glu b 252}75.808 -10.677 -48.343
{ca asp b 253}75.484 -13.705 -46.023
{ca val b 254}75.976 -17.476 -45.671
{ca glu b 255}73.388 -19.476 -43.684
{ca gly b 256}74.504 -21.757 -40.847
{ca glu b 257}73.375 -24.732 -42.923
{ca ala b 258}76.19 -24.428 -45.493
{ca leu b 259}78.326 -22.598 -42.935
{ca ala b 260}78.538 -25.778 -40.838
{ca thr b 261}79.754 -27.8 -43.832
{ca leu b 262}82.178 -25.052 -44.915
{ca val b 263}83.704 -25.044 -41.423
{ca val b 264}84.191 -28.835 -41.361
{ca asn b 265}85.65 -28.521 -44.858
{ca thr b 266}88.2 -25.994 -43.536
{ca met b 267}89.73 -28.461 -41.049
{ca arg b 268}92.483 -30.371 -42.897
{ca gly b 269}91.207 -28.845 -46.144
{ca ile b 270}93.865 -26.108 -46.459
{ca val b 271}92.597 -22.512 -45.928
{ca lys b 272}89.984 -23.078 -48.631
{ca val b 273}86.944 -20.936 -47.764
{ca ala b 274}86.517 -17.941 -45.463
{ca ala b 275}83.014 -16.502 -45.154
{ca val b 276}82.366 -12.912 -44.083
{ca lys b 277}79.634 -10.324 -44.682
{ca ala b 278}79.383 -7.664 -47.379
{ca pro b 279}80.271 -4.163 -46.044
{ca gly b 280}77.394 -1.803 -45.315
{ca phe b 281}73.719 -2.47 -46.004
{ca gly b 282}71.042 -1.754 -48.62
{ca asp b 283}72.12 .44 -51.545
{ca arg b 284}75.618 1.205 -50.217
{ca arg b 285}76.337 -2.506 -49.83
{ca lys b 286}76.127 -3.144 -53.578
{ca ala b 287}78.336 -.149 -54.409
{ca met b 288}80.843 -1.162 -51.711
{ca leu b 289}81.121 -4.699 -53.09
{ca gln b 290}82.022 -3.178 -56.45
{ca asp b 291}84.806 -1.113 -54.871
{ca ile b 292}86.294 -4.29 -53.376
{ca ala b 293}85.991 -5.96 -56.786
{ca thr b 294}87.82 -2.991 -58.326
{ca leu b 295}90.702 -3.364 -55.868
{ca thr b 296}91.139 -7.107 -56.244
{ca gly b 297}90.248 -7.034 -59.933
{ca gly b 298}87.054 -8.999 -60.377
{ca thr b 299}83.301 -8.799 -60.843
{ca val b 300}80.437 -9.068 -58.356
{ca ile b 301}77.991 -11.893 -59.099
{ca ser b 302}74.559 -10.304 -58.727
{ca glu b 303}70.921 -11.475 -58.735
{ca glu b 304}70.62 -12.143 -62.483
{ca ile b 305}74.205 -13.535 -62.7
{ca gly b 306}73.223 -15.633 -59.65
{ca met b 307}72.96 -18.777 -61.798
{ca glu b 308}76.473 -17.989 -62.995
{ca leu b 309}77.655 -18.339 -59.384
{ca glu b 310}78.877 -21.886 -60.073
{ca lys b 311}79.784 -20.922 -63.662
{ca ala b 312}82.103 -18.188 -62.373
{ca thr b 313}85.757 -18.755 -63.262
{ca leu b 314}89.056 -17.399 -61.868
{ca glu b 315}88.526 -14.591 -64.396
{ca asp b 316}85.625 -13.168 -62.378
{ca leu b 317}87.459 -13.42 -59.046
{ca gly b 318}89.654 -10.625 -57.731
{ca gln b 319}92.982 -11.268 -56.012
{ca ala b 320}95.014 -9.699 -53.2
{ca lys b 321}98.487 -10.091 -51.699
{ca arg b 322}97.108 -10.807 -48.215
{ca val b 323}93.842 -10.472 -46.261
{ca val b 324}93.299 -10.529 -42.492
{ca ile b 325}89.782 -11.153 -41.199
{ca asn b 326}89.134 -10.662 -37.493
{ca lys b 327}86.108 -10.866 -35.16
{ca asp b 328}84.743 -7.622 -36.54
{ca thr b 329}87.135 -6.417 -39.24
{ca thr b 330}88.336 -7.471 -42.68
{ca thr b 331}91.419 -5.839 -44.185
{ca ile b 332}92.578 -6.37 -47.777
{ca ile b 333}96.315 -5.746 -48.136
{ca asp b 334}97.469 -4.888 -51.685
{ca gly b 335}95.006 -5.391 -54.54
{ca val b 336}95.267 -5.812 -58.322
{ca gly b 337}93.887 -2.966 -60.427
{ca glu b 338}95.883 .132 -59.448
{ca glu b 339}95.233 3.254 -61.564
{ca ala b 340}92.32 3.557 -64.02
{ca ala b 341}89.878 1.434 -61.99
{ca ile b 342}90.496 2.695 -58.423
{ca gln b 343}91.321 6.233 -59.562
{ca gly b 344}88.122 6.478 -61.619
{ca arg b 345}85.83 5.271 -58.83
{ca val b 346}87.293 7.878 -56.474
{ca ala b 347}86.491 10.665 -58.961
{ca gln b 348}82.835 9.575 -59.125
{ca ile b 349}82.327 9.434 -55.348
{ca arg b 350}83.99 12.873 -55.08
{ca gln b 351}81.157 14.532 -56.992
{ca gln b 352}78.491 12.683 -55.008
{ca ile b 353}79.172 14.785 -51.884
{ca glu b 354}78.313 17.875 -53.966
{ca glu b 355}74.863 16.294 -54.345
{ca ala b 356}73.523 17.845 -51.149
{ca thr b 357}70.625 15.904 -49.658
{ca ser b 358}71.707 14.759 -46.198
{ca asp b 359}75.002 15.186 -44.342
{ca tyr b 360}74.216 11.741 -42.976
{ca asp b 361}74.663 9.753 -46.185
{ca arg b 362}77.509 12.106 -47.156
{ca glu b 363}79.498 10.92 -44.117
{ca lys b 364}79.028 7.34 -45.343
{ca leu b 365}79.982 8.341 -48.898
{ca gln b 366}83.196 9.936 -47.636
{ca glu b 367}84.052 6.717 -45.812
{ca arg b 368}84.208 4.991 -49.212
{ca val b 369}86.62 7.556 -50.67
{ca ala b 370}88.769 7.303 -47.533
{ca lys b 371}89.002 3.484 -47.713
{ca leu b 372}89.794 3.406 -51.436
{ca ala b 373}92.113 6.42 -51.724
{ca gly b 374}93.642 5.628 -48.337
{ca gly b 375}95.383 2.286 -48.712
{ca val b 376}97.111 .332 -45.95
{ca ala b 377}100.576 .95 -44.505
{ca val b 378}102.638 -2.22 -44.133
{ca ile b 379}105.494 -2.354 -41.632
{ca lys b 380}107.929 -5.126 -42.548
{ca val b 381}109.684 -5.631 -39.2
{ca gly b 382}113.451 -5.619 -38.784
{ca ala b 383}114.431 -9.003 -40.18
{ca ala b 384}117.316 -9.579 -37.776
{ca thr b 385}118.541 -13.185 -37.999
{ca glu b 386}115.017 -14.707 -38.106
{ca val b 387}114.535 -15.453 -34.383
{ca glu b 388}115.053 -11.789 -33.447
{ca met b 389}112.571 -10.447 -36.011
{ca lys b 390}109.997 -12.914 -34.679
{ca glu b 391}110.007 -11.429 -31.176
{ca lys b 392}110.486 -7.931 -32.613
{ca lys b 393}107.38 -8.31 -34.777
{ca ala b 394}105.441 -9.309 -31.669
{ca arg b 395}106.621 -6.157 -29.884
{ca val b 396}105.648 -3.949 -32.83
{ca glu b 397}102.142 -5.44 -32.904
{ca asp b 398}101.577 -4.818 -29.186
{ca ala b 399}103.158 -1.359 -29.341
{ca leu b 400}101.018 -.35 -32.314
{ca his b 401}97.924 -1.532 -30.435
{ca ala b 402}98.732 .503 -27.312
{ca thr b 403}99.669 3.563 -29.366
{ca arg b 404}96.262 3.452 -31.078
{ca ala b 405}94.448 3.463 -27.745
{ca ala b 406}96.825 6.159 -26.47
{ca val b 407}96.039 8.391 -29.445
{ca glu b 408}92.259 8.373 -29.012
{ca glu b 409}92.034 8.825 -25.225
{ca gly b 410}95.553 9.535 -23.948
{ca val b 411}97.642 7.803 -21.283
{ca val b 412}97.223 7.839 -17.516
{ca ala b 413}99.575 6.807 -14.73
{ca gly b 414}99.977 3.043 -14.656
{ca gly b 415}100.664 .787 -11.697
{ca gly b 416}97.05 1.207 -10.646
{ca val b 417}97.617 4.757 -9.419
{ca ala b 418}95.17 6.358 -11.871
{ca leu b 419}92.206 4.444 -10.412
{ca ile b 420}93.257 4.939 -6.792
{ca arg b 421}93.846 8.643 -7.485
{ca val b 422}90.306 9.093 -8.797
{ca ala b 423}88.79 7.075 -5.942
{ca ser b 424}90.511 9.392 -3.45
{ca lys b 425}88.751 12.445 -4.9
{ca leu b 426}85.364 10.704 -4.919
{ca ala b 427}85.167 10.208 -1.139
{ca asp b 428}82.298 12.726 -.838
{ca leu b 429}80.124 11.278 -3.63
{ca arg b 430}76.629 10.411 -2.411
{ca gly b 431}73.423 8.902 -3.778
{ca gln b 432}69.647 8.846 -3.258
{ca asn b 433}69.82 6.568 -.207
{ca glu b 434}72.097 4.738 2.219
{ca asp b 435}72.273 1.541 .168
{ca gln b 436}73.4 3.561 -2.838
{ca asn b 437}76.069 5.115 -.625
{ca val b 438}77.252 1.613 .252
{ca gly b 439}77.395 .783 -3.451
{ca ile b 440}79.465 3.896 -4.131
{ca lys b 441}81.886 2.951 -1.356
{ca val b 442}82.132 -.622 -2.677
{ca ala b 443}83.156 .647 -6.108
{ca leu b 444}85.657 3.174 -4.724
{ca arg b 445}87.27 .582 -2.471
{ca ala b 446}87.486 -1.832 -5.413
{ca met b 447}89.455 .729 -7.423
{ca glu b 448}92.39 .177 -5.057
{ca ala b 449}92.566 -3.569 -5.773
{ca pro b 450}94.818 -3.322 -8.877
{ca leu b 451}97.554 -1.346 -7.107
{ca arg b 452}97.201 -3.659 -4.106
{ca gln b 453}97.557 -6.818 -6.205
{ca ile b 454}100.644 -5.435 -7.922
{ca val b 455}102.266 -4.629 -4.583
{ca leu b 456}101.205 -7.984 -3.106
{ca asn b 457}102.971 -9.723 -5.99
{ca cys b 458}106.136 -7.775 -5.13
{ca gly b 459}106.105 -9.223 -1.632
{ca glu b 460}105.361 -5.812 -.113
{ca glu b 461}102.486 -4.725 2.149
{ca pro b 462}99.474 -3.578 .04
{ca ser b 463}97.852 -1.405 2.701
{ca val b 464}101.089 .479 3.472
{ca val b 465}101.93 1.313 -.143
{ca ala b 466}98.243 2.117 -.685
{ca asn b 467}98.003 4.893 1.918
{ca thr b 468}101.407 6.25 .89
{ca val b 469}100.342 6.598 -2.738
{ca lys b 470}97.015 8.08 -1.622
{ca gly b 471}98.982 10.375 .676
{ca gly b 472}100.616 11.938 -2.355
{ca asp b 473}98.922 13.375 -5.432
{ca gly b 474}99.044 13.86 -9.194
{ca asn b 475}101.025 11.078 -10.848
{ca tyr b 476}102.762 10.107 -7.603
{ca gly b 477}102.772 6.328 -7.396
{ca tyr b 478}104.738 3.149 -6.787
{ca asn b 479}107.226 1.594 -9.199
{ca ala b 480}106.842 -2.147 -8.601
{ca ala b 481}109.879 -2.916 -10.757
{ca thr b 482}112.397 -.674 -8.972
{ca glu b 483}110.551 -.985 -5.656
{ca glu b 484}110.534 2.827 -5.246
{ca tyr b 485}108.098 5.749 -5.451
{ca gly b 486}108.079 8.606 -7.941
{ca asn b 487}106.187 10.278 -10.765
{ca met b 488}104.703 7.479 -12.867
{ca ile b 489}104.665 9.582 -16.059
{ca asp b 490}108.356 10.424 -15.711
{ca met b 491}109.252 6.803 -14.909
{ca gly b 492}107.477 5.596 -18.04
{ca ile b 493}104.818 3.527 -16.292
{ca leu b 494}101.871 4.515 -18.506
{ca asp b 495}98.495 2.927 -19.244
{ca pro b 496}96.203 3.844 -22.139
{ca thr b 497}93.239 5.694 -20.624
{ca lys b 498}91.089 3.444 -22.813
{ca val b 499}92.267 .174 -21.224
{ca thr b 500}91.829 1.585 -17.701
{ca arg b 501}88.337 2.928 -18.376
{ca ser b 502}87.187 -.268 -20.094
{ca ala b 503}88.638 -2.452 -17.34
{ca leu b 504}86.525 -.633 -14.752
{ca gln b 505}83.371 -.298 -16.85
{ca tyr b 506}83.235 -3.989 -17.771
{ca ala b 507}84.162 -5.053 -14.239
{ca ala b 508}81.303 -2.937 -12.888
{ca ser b 509}79.041 -4.245 -15.655
{ca val b 510}79.302 -7.933 -14.742
{ca ala b 511}79.435 -7.053 -11.046
{ca gly b 512}76.144 -5.203 -11.326
{ca leu b 513}74.46 -8.074 -13.147
{ca met b 514}75.76 -10.643 -10.665
{ca ile b 515}74.678 -8.574 -7.661
{ca thr b 516}71.189 -8.241 -9.129
{ca thr b 517}70.909 -12.007 -9.749
{ca glu b 518}68.246 -13.778 -7.675
{ca cys b 519}68.09 -17.194 -9.362
{ca met b 520}70.449 -19.585 -11.202
{ca val b 521}69.487 -22.562 -13.394
{ca thr b 522}71.911 -25.328 -14.419
{ca asp b 523}71.747 -28.962 -15.488
{ca leu b 524}71.371 -31.379 -12.586
{ca pro b 525}74.47 -33.657 -12.434
{ca lys b 526}72.291 -36.597 -11.329
@balllist {P} color= red radius= .7 master= {ATP}
{pg atp b 1}P 96.621 -8.972 -19.337
{pb atp b 1}P 96.817 -6.581 -17.567
{pa atp b 1}P 99.712 -7.031 -16.749
@vectorlist {Calphas} color= greentint 
{ca ala c 2}P 86.833 -30.132 -18.9 {ca ala c 3}86.555 -29.228 -15.205
{ca lys c 4}89.849 -28.257 -13.548
{ca asp c 5}91.504 -28.601 -10.139
{ca val c 6}93.473 -25.558 -8.993
{ca lys c 7}96.154 -25.34 -6.314
{ca phe c 8}97.904 -22.3 -4.84
{ca gly c 9}101.064 -21.603 -2.865
{ca asn c 10}102.243 -24.295 -.46
{ca asp c 11}99.569 -26.739 -1.664
{ca ala c 12}101.056 -26.659 -5.166
{ca gly c 13}104.566 -26.375 -3.748
{ca val c 14}104.656 -29.764 -2.016
{ca lys c 15}103.189 -31.433 -5.099
{ca met c 16}105.822 -29.985 -7.438
{ca leu c 17}108.588 -30.963 -5.027
{ca arg c 18}107.348 -34.572 -4.875
{ca gly c 19}107.29 -34.844 -8.654
{ca val c 20}110.827 -33.499 -9.105
{ca asn c 21}112.104 -35.76 -6.332
{ca val c 22}110.617 -38.828 -8.023
{ca leu c 23}112.125 -37.959 -11.414
{ca ala c 24}115.476 -36.817 -10.011
{ca asp c 25}115.847 -39.659 -7.487
{ca ala c 26}115.379 -42.143 -10.345
{ca val c 27}117.838 -40.39 -12.656
{ca lys c 28}120.577 -39.396 -10.178
{ca val c 29}121.336 -43.069 -9.413
{ca thr c 30}122.795 -43.446 -12.919
{ca leu c 31}125.318 -40.622 -12.488
{ca gly c 32}129.052 -41.148 -12.931
{ca pro c 33}131.373 -44.166 -13.482
{ca lys c 34}129.939 -46.116 -10.561
{ca gly c 35}126.316 -45.374 -11.409
{ca arg c 36}123.587 -47.898 -10.603
{ca asn c 37}121.16 -49.593 -13.001
{ca val c 38}117.496 -48.693 -13.471
{ca val c 39}115.051 -51.308 -14.755
{ca leu c 40}112.454 -49.862 -17.128
{ca asp c 41}109.588 -52.281 -17.789
{ca lys c 42}108.785 -52.674 -21.486
{ca ser c 43}105.563 -54.654 -20.938
{ca phe c 44}105.81 -56.596 -24.199
{ca gly c 45}109.109 -58.424 -23.71
{ca ala c 46}112.048 -58.357 -21.301
{ca pro c 47}112.724 -55.263 -19.119
{ca thr c 48}115.27 -52.636 -20.168
{ca ile c 49}118.274 -52.084 -17.87
{ca thr c 50}119.983 -48.704 -18.3
{ca lys c 51}122.497 -46.327 -16.746
{ca asp c 52}121.546 -43.533 -19.15
{ca gly c 53}119.639 -40.707 -17.478
{ca val c 54}117.713 -39.719 -20.606
{ca ser c 55}116.276 -43.222 -21.099
{ca val c 56}115.035 -43.228 -17.5
{ca ala c 57}113.61 -39.699 -17.729
{ca arg c 58}111.442 -40.444 -20.795
{ca glu c 59}109.709 -43.113 -18.715
{ca ile c 60}108.696 -41.004 -15.713
{ca glu c 61}105.054 -39.938 -15.553
{ca leu c 62}103.167 -39.738 -12.254
{ca glu c 63}99.665 -40.588 -11.034
{ca asp c 64}98.969 -37.358 -9.126
{ca lys c 65}98.312 -34.825 -11.87
{ca phe c 66}100.133 -32.045 -10.003
{ca glu c 67}103.142 -34.118 -8.976
{ca asn c 68}103.311 -35.22 -12.595
{ca met c 69}103.448 -31.582 -13.722
{ca gly c 70}106.507 -30.983 -11.572
{ca ala c 71}108.257 -34.005 -13.075
{ca gln c 72}107.395 -32.937 -16.628
{ca met c 73}108.604 -29.412 -15.881
{ca val c 74}112.016 -30.644 -14.728
{ca lys c 75}112.198 -33.012 -17.701
{ca glu c 76}112.63 -29.876 -19.803
{ca val c 77}115.988 -29.215 -18.138
{ca ala c 78}117.3 -32.618 -19.21
{ca ser c 79}115.727 -32.054 -22.633
{ca lys c 80}117.145 -28.61 -23.414
{ca ala c 81}120.56 -29.529 -21.973
{ca asn c 82}120.609 -32.609 -24.205
{ca asp c 83}119.563 -30.624 -27.29
{ca ala c 84}122.15 -27.921 -26.562
{ca ala c 85}125.161 -29.852 -25.273
{ca gly c 86}124.272 -33.445 -26.115
{ca asp c 87}125.351 -34.57 -22.644
{ca gly c 88}125.114 -33.763 -18.941
{ca thr c 89}121.358 -34.312 -18.66
{ca thr c 90}121.669 -36.281 -15.423
{ca thr c 91}123.919 -33.511 -14.055
{ca ala c 92}121.394 -30.843 -15.05
{ca thr c 93}118.743 -32.907 -13.268
{ca val c 94}120.668 -33.249 -9.98
{ca leu c 95}121.486 -29.525 -10.088
{ca ala c 96}117.848 -28.643 -10.78
{ca gln c 97}116.597 -30.727 -7.843
{ca ala c 98}119.212 -29.202 -5.536
{ca ile c 99}118.159 -25.654 -6.415
{ca ile c 100}114.433 -26.464 -6.267
{ca thr c 101}114.448 -28.29 -2.909
{ca glu c 102}116.326 -25.512 -1.102
{ca gly c 103}114.56 -22.805 -3.101
{ca leu c 104}111.089 -23.999 -2.11
{ca lys c 105}112.155 -24.485 1.516
{ca ala c 106}113.232 -20.832 1.505
{ca val c 107}109.874 -19.788 .035
{ca ala c 108}108.101 -21.792 2.749
{ca ala c 109}110.195 -19.913 5.315
{ca gly c 110}108.476 -16.769 4.039
{ca met c 111}111.226 -15.538 1.731
{ca asn c 112}110.394 -13.629 -1.457
{ca pro c 113}110.31 -15.909 -4.558
{ca met c 114}111.225 -13.11 -6.967
{ca asp c 115}114.311 -12.214 -4.911
{ca leu c 116}115.36 -15.835 -4.436
{ca lys c 117}115.26 -16.199 -8.214
{ca arg c 118}117.323 -13.052 -8.859
{ca gly c 119}119.968 -14.233 -6.407
{ca ile c 120}120.13 -17.619 -8.135
{ca asp c 121}120.345 -16.004 -11.57
{ca lys c 122}123.151 -13.763 -10.324
{ca ala c 123}125.219 -16.622 -8.913
{ca val c 124}124.835 -18.54 -12.168
{ca thr c 125}125.733 -15.503 -14.312
{ca val c 126}128.969 -15.041 -12.366
{ca ala c 127}129.563 -18.808 -12.213
{ca val c 128}129.457 -19.271 -15.991
{ca glu c 129}131.905 -16.428 -16.605
{ca glu c 130}134.029 -18.025 -13.883
{ca leu c 131}133.849 -21.308 -15.806
{ca lys c 132}135.208 -19.685 -18.962
{ca ala c 133}138.136 -18.399 -16.909
{ca leu c 134}138.863 -21.999 -15.887
{ca ser c 135}138.33 -23.481 -19.359
{ca val c 136}141.441 -25.164 -20.734
{ca pro c 137}141.588 -24.563 -24.52
{ca cys c 138}141.407 -27.434 -27.02
{ca ser c 139}142.649 -25.64 -30.151
{ca asp c 140}145.541 -27.809 -31.383
{ca ser c 141}145.459 -31.226 -33.084
{ca lys c 142}147.365 -32.693 -30.14
{ca ala c 143}144.759 -31.615 -27.586
{ca ile c 144}141.957 -32.522 -30.014
{ca ala c 145}143.372 -36.04 -30.4
{ca gln c 146}143.873 -36.17 -26.633
{ca val c 147}140.19 -35.359 -26.023
{ca gly c 148}138.822 -37.753 -28.634
{ca thr c 149}140.735 -40.751 -27.274
{ca ile c 150}139.466 -40.288 -23.715
{ca ser c 151}135.885 -39.803 -24.898
{ca ala c 152}136.299 -42.968 -26.968
{ca asn c 153}136.981 -45.053 -23.847
{ca ser c 154}140.759 -44.498 -24.038
{ca asp c 155}140.85 -45.732 -27.65
{ca glu c 156}143.766 -43.711 -29.056
{ca thr c 157}142.969 -44.797 -32.623
{ca val c 158}139.587 -43.027 -32.602
{ca gly c 159}141.156 -39.884 -31.177
{ca lys c 160}143.632 -39.75 -34.043
{ca leu c 161}140.77 -40.187 -36.542
{ca ile c 162}138.914 -37.159 -35.154
{ca ala c 163}142.062 -35.014 -35.181
{ca glu c 164}142.923 -35.873 -38.794
{ca ala c 165}139.32 -35.18 -39.826
{ca met c 166}139.346 -31.782 -38.116
{ca asp c 167}142.715 -30.961 -39.707
{ca lys c 168}141.193 -31.399 -43.152
{ca val c 169}137.763 -29.733 -43.014
{ca gly c 170}138.737 -27.406 -40.166
{ca lys c 171}137.768 -27.719 -36.497
{ca glu c 172}134.292 -26.435 -37.447
{ca gly c 173}133.968 -28.428 -40.669
{ca val c 174}131.168 -30.939 -41.218
{ca ile c 175}132.261 -34.378 -39.995
{ca thr c 176}130.208 -37.581 -40.163
{ca val c 177}130.614 -41.338 -39.664
{ca glu c 178}129.628 -44.402 -41.705
{ca asp c 179}130.087 -48.189 -41.641
{ca gly c 180}133.345 -48.667 -43.568
{ca thr c 181}133.795 -51.837 -45.635
{ca gly c 182}137.547 -52.084 -45.332
{ca leu c 183}138.774 -52.599 -41.761
{ca gln c 184}141.671 -50.1 -42.055
{ca asp c 185}139.536 -46.94 -41.386
{ca glu c 186}138.71 -44.365 -44.057
{ca leu c 187}138.218 -40.601 -44.395
{ca asp c 188}136.591 -39.541 -47.644
{ca val c 189}135.681 -35.905 -48.201
{ca val c 190}132.57 -35.723 -50.361
{ca glu c 191}130.966 -32.407 -51.326
{ca gly c 192}128.187 -31.56 -48.906
{ca met c 193}126.193 -28.826 -47.182
{ca gln c 194}124.927 -28.664 -43.607
{ca phe c 195}122.264 -26.148 -42.634
{ca asp c 196}120.529 -25.549 -39.293
{ca arg c 197}117.18 -27.13 -40.16
{ca gly c 198}115.509 -30.251 -38.82
{ca tyr c 199}112.555 -32.434 -39.758
{ca leu c 200}109.319 -30.428 -39.629
{ca ser c 201}107.428 -33.448 -38.358
{ca pro c 202}108.676 -36.204 -36.
{ca tyr c 203}108.16 -39.919 -36.74
{ca phe c 204}110.263 -39.417 -39.88
{ca ile c 205}113.041 -40.749 -37.639
{ca asn c 206}113.733 -44.115 -39.275
{ca lys c 207}116.518 -44.656 -36.719
{ca pro c 208}115.175 -44.357 -33.121
{ca glu c 209}118.557 -44.669 -31.365
{ca thr c 210}120.145 -41.721 -33.194
{ca gly c 211}116.975 -39.63 -33.272
{ca ala c 212}117.63 -38.837 -36.935
{ca val c 213}116.44 -39.705 -40.444
{ca glu c 214}119.026 -41.348 -42.694
{ca leu c 215}118.148 -41.515 -46.402
{ca glu c 216}120.129 -43.634 -48.881
{ca ser c 217}120.55 -42.134 -52.376
{ca pro c 218}117.503 -39.805 -52.136
{ca phe c 219}115.877 -37.327 -54.511
{ca ile c 220}115.616 -33.734 -53.276
{ca leu c 221}112.637 -31.549 -54.151
{ca leu c 222}113.744 -27.913 -53.905
{ca ala c 223}110.663 -25.684 -53.774
{ca asp c 224}110.656 -21.95 -53.086
{ca lys c 225}106.989 -21.936 -52.013
{ca lys c 226}104.849 -23.224 -49.141
{ca ile c 227}103.547 -26.773 -49.649
{ca ser c 228}100.061 -27.346 -48.214
{ca asn c 229}98.372 -29.056 -51.153
{ca ile c 230}98.968 -32.847 -50.943
{ca arg c 231}97.293 -33.27 -54.32
{ca glu c 232}99.915 -31.365 -56.347
{ca met c 233}102.779 -33.368 -54.871
{ca leu c 234}101.25 -36.771 -55.754
{ca pro c 235}102.613 -36.917 -59.347
{ca val c 236}106.089 -36.018 -58.077
{ca leu c 237}105.962 -38.694 -55.343
{ca glu c 238}105.077 -41.367 -57.908
{ca ala c 239}108.116 -40.552 -60.048
{ca val c 240}110.257 -40.835 -56.904
{ca ala c 241}108.829 -44.266 -55.978
{ca lys c 242}110.774 -45.346 -59.065
{ca ala c 243}114.352 -46.27 -57.991
{ca gly c 244}115.392 -43.573 -55.496
{ca lys c 245}112.563 -44.164 -53.017
{ca pro c 246}113.813 -41.848 -50.244
{ca leu c 247}112.813 -38.234 -50.914
{ca leu c 248}113.908 -35.044 -49.146
{ca ile c 249}111.605 -32.023 -49.369
{ca ile c 250}113.6 -28.814 -48.888
{ca ala c 251}110.761 -26.326 -49.347
{ca glu c 252}109.949 -22.985 -47.726
{ca asp c 253}107.78 -24.971 -45.297
{ca val c 254}105.413 -27.97 -45.319
{ca glu c 255}102.047 -27.256 -43.691
{ca gly c 256}100.262 -29.578 -41.273
{ca glu c 257}97.842 -30.787 -43.961
{ca ala c 258}100.335 -32.34 -46.393
{ca leu c 259}102.756 -32.913 -43.506
{ca ala c 260}100.305 -35.175 -41.653
{ca thr c 261}99.58 -37.082 -44.873
{ca leu c 262}103.249 -38.031 -45.317
{ca val c 263}103.57 -39.164 -41.684
{ca val c 264}100.538 -41.439 -42.13
{ca asn c 265}102.109 -42.908 -45.281
{ca thr c 266}105.255 -44.039 -43.445
{ca met c 267}103.819 -46.76 -41.208
{ca arg c 268}103.298 -50.049 -43.099
{ca gly c 269}103.851 -48.197 -46.367
{ca ile c 270}107.527 -47.674 -47.21
{ca val c 271}110.322 -45.394 -45.942
{ca lys c 272}108.359 -42.883 -48.039
{ca val c 273}109.285 -39.162 -47.833
{ca ala c 274}110.932 -36.795 -45.295
{ca ala c 275}110.5 -32.997 -45.024
{ca val c 276}112.525 -30.021 -43.73
{ca lys c 277}112.585 -26.301 -44.543
{ca ala c 278}114.871 -23.934 -46.44
{ca pro c 279}117.748 -22.303 -44.476
{ca gly c 280}117.461 -18.603 -43.672
{ca phe c 281}114.524 -16.402 -44.695
{ca gly c 282}113.387 -13.765 -47.194
{ca asp c 283}115.812 -12.99 -50.038
{ca arg c 284}118.575 -14.846 -48.211
{ca arg c 285}116.551 -18.08 -48.245
{ca lys c 286}115.896 -18.032 -51.999
{ca ala c 287}119.598 -17.531 -52.77
{ca met c 288}120.681 -20.265 -50.341
{ca leu c 289}118.381 -22.742 -52.1
{ca gln c 290}120.549 -22.228 -55.198
{ca asp c 291}123.629 -23.289 -53.284
{ca ile c 292}121.781 -26.503 -52.405
{ca ala c 293}120.499 -26.97 -55.961
{ca thr c 294}124. -26.735 -57.428
{ca leu c 295}125.434 -28.957 -54.718
{ca thr c 296}122.823 -31.661 -55.378
{ca gly c 297}122.369 -31.006 -59.083
{ca gly c 298}118.746 -29.922 -59.156
{ca thr c 299}116.483 -27.083 -60.249
{ca val c 300}114.84 -24.719 -57.746
{ca ile c 301}111.106 -24.581 -58.465
{ca ser c 302}110.812 -20.834 -57.996
{ca glu c 303}107.823 -18.487 -58.185
{ca glu c 304}107.689 -18.578 -62.02
{ca ile c 305}108.4 -22.312 -62.192
{ca gly c 306}105.606 -22.741 -59.639
{ca met c 307}103.433 -24.064 -62.472
{ca glu c 308}105.922 -26.882 -63.073
{ca leu c 309}105.566 -27.913 -59.429
{ca glu c 310}103.323 -30.877 -60.285
{ca lys c 311}105.143 -31.113 -63.627
{ca ala c 312}108.524 -31.55 -61.937
{ca thr c 313}110.323 -34.702 -63.038
{ca leu c 314}113.111 -36.593 -61.225
{ca glu c 315}115.369 -34.488 -63.465
{ca asp c 316}114.621 -31.331 -61.45
{ca leu c 317}115.154 -33.176 -58.167
{ca gly c 318}118.651 -32.814 -56.759
{ca gln c 319}120.437 -35.994 -55.743
{ca ala c 320}122.736 -37.008 -52.919
{ca lys c 321}124.603 -40.117 -51.8
{ca arg c 322}123.163 -39.864 -48.28
{ca val c 323}121.388 -37.275 -46.096
{ca val c 324}121.074 -37.321 -42.306
{ca ile c 325}118.372 -35.047 -40.892
{ca asn c 326}118.796 -34.858 -37.122
{ca lys c 327}116.343 -33.244 -34.658
{ca asp c 328}117.568 -29.765 -35.575
{ca thr c 329}120.318 -30.356 -38.143
{ca thr c 330}120.242 -31.47 -41.778
{ca thr c 331}123.442 -32.68 -43.429
{ca ile c 332}123.619 -33.473 -47.141
{ca ile c 333}126.474 -35.929 -47.679
{ca asp c 334}127.875 -35.919 -51.235
{ca gly c 335}125.662 -34.207 -53.761
{ca val c 336}125.415 -35.12 -57.438
{ca gly c 337}126.611 -32.491 -59.906
{ca glu c 338}130.17 -32.335 -58.6
{ca glu c 339}132.846 -29.88 -59.742
{ca ala c 340}130.934 -28.12 -62.54
{ca ala c 341}127.91 -26.609 -60.782
{ca ile c 342}129.339 -26.374 -57.248
{ca gln c 343}132.744 -24.739 -57.869
{ca gly c 344}131.315 -22.665 -60.697
{ca arg c 345}128.83 -20.903 -58.428
{ca val c 346}131.214 -20.713 -55.476
{ca ala c 347}133.029 -18.299 -57.795
{ca gln c 348}129.899 -16.146 -58.124
{ca ile c 349}129.445 -15.621 -54.369
{ca arg c 350}133.221 -15.13 -54.14
{ca gln c 351}132.885 -12.104 -56.458
{ca gln c 352}129.944 -10.766 -54.464
{ca ile c 353}131.992 -10.426 -51.263
{ca glu c 354}134.097 -8. -53.315
{ca glu c 355}130.918 -6.189 -54.411
{ca ala c 356}131.257 -3.477 -51.78
{ca thr c 357}127.879 -3.041 -50.139
{ca ser c 358}127.577 -3.763 -46.423
{ca asp c 359}129.862 -5.526 -43.953
{ca tyr c 360}126.809 -7.533 -42.88
{ca asp c 361}125.804 -9.362 -46.053
{ca arg c 362}129.479 -10.132 -46.752
{ca glu c 363}129.433 -12.143 -43.526
{ca lys c 364}126.351 -14.041 -44.699
{ca leu c 365}128.124 -14.721 -47.999
{ca gln c 366}131.178 -16.047 -46.145
{ca glu c 367}128.785 -18.561 -44.592
{ca arg c 368}127.449 -19.759 -47.934
{ca val c 369}130.876 -20.318 -49.504
{ca ala c 370}132.253 -21.981 -46.364
{ca lys c 371}129.368 -24.457 -46.543
{ca leu c 372}129.549 -25.021 -50.302
{ca ala c 373}133.345 -25.322 -50.377
{ca gly c 374}133.574 -26.992 -46.973
{ca gly c 375}132.509 -30.553 -47.705
{ca val c 376}131.502 -33.452 -45.475
{ca ala c 377}134.372 -35.566 -44.146
{ca val c 378}132.916 -39.045 -43.593
{ca ile c 379}134.771 -41.44 -41.289
{ca lys c 380}134.525 -45.166 -42.006
{ca val c 381}134.924 -47.322 -38.898
{ca gly c 382}136.953 -50.517 -38.69
{ca ala c 383}135.201 -53.595 -40.074
{ca ala c 384}135.736 -55.596 -36.881
{ca thr c 385}133.348 -58.53 -37.494
{ca glu c 386}130.478 -56.131 -38.419
{ca val c 387}128.839 -56.515 -34.983
{ca glu c 388}131.83 -54.912 -33.245
{ca met c 389}131.832 -52.359 -36.07
{ca lys c 390}128.38 -51.123 -35.061
{ca glu c 391}129.836 -50.674 -31.575
{ca lys c 392}133. -48.882 -32.724
{ca lys c 393}130.852 -46.535 -34.832
{ca ala c 394}128.89 -45.612 -31.71
{ca arg c 395}131.883 -44.62 -29.555
{ca val c 396}133.314 -42.629 -32.473
{ca glu c 397}130.102 -40.574 -32.686
{ca asp c 398}130.148 -39.861 -28.95
{ca ala c 399}133.871 -39.053 -28.964
{ca leu c 400}133.325 -36.781 -31.965
{ca his c 401}130.403 -34.916 -30.395
{ca ala c 402}132.4 -34.547 -27.161
{ca thr c 403}135.489 -33.267 -28.973
{ca arg c 404}133.3 -30.735 -30.818
{ca ala c 405}131.95 -29.198 -27.608
{ca ala c 406}135.479 -29.388 -26.195
{ca val c 407}136.948 -27.336 -29.042
{ca glu c 408}134.367 -24.543 -29.037
{ca glu c 409}134.448 -23.83 -25.288
{ca gly c 410}137.339 -25.856 -23.892
{ca val c 411}137.38 -28.402 -21.078
{ca val c 412}137.214 -28.302 -17.28
{ca ala c 413}137.835 -30.816 -14.483
{ca gly c 414}135.337 -33.671 -14.437
{ca gly c 415}133.797 -35.387 -11.435
{ca gly c 416}131.912 -32.192 -10.624
{ca val c 417}135.123 -30.594 -9.372
{ca ala c 418}134.709 -27.565 -11.651
{ca leu c 419}131.418 -26.324 -10.168
{ca ile c 420}132.791 -26.88 -6.671
{ca arg c 421}135.868 -24.74 -7.37
{ca val c 422}133.667 -22.05 -8.933
{ca ala c 423}131.363 -22.185 -5.905
{ca ser c 424}134.423 -21.576 -3.714
{ca lys c 425}135.233 -18.332 -5.517
{ca leu c 426}131.707 -16.886 -5.276
{ca ala c 427}131.6 -17.127 -1.461
{ca asp c 428}131.798 -13.322 -1.27
{ca leu c 429}129.02 -12.694 -3.815
{ca arg c 430}126.077 -10.722 -2.404
{ca gly c 431}122.736 -9.369 -3.615
{ca gln c 432}120.404 -6.376 -3.185
{ca asn c 433}118.885 -7.922 -.044
{ca glu c 434}119.019 -10.844 2.397
{ca asp c 435}116.596 -12.98 .364
{ca gln c 436}118.781 -12.461 -2.688
{ca asn c 437}121.809 -13.544 -.672
{ca val c 438}119.946 -16.727 .324
{ca gly c 439}119.196 -17.434 -3.336
{ca ile c 440}122.923 -17.076 -4.009
{ca lys c 441}123.86 -19.556 -1.274
{ca val c 442}121.159 -21.927 -2.534
{ca ala c 443}122.798 -21.941 -5.96
{ca leu c 444}126.314 -22.285 -4.51
{ca arg c 445}125.226 -25.306 -2.465
{ca ala c 446}123.469 -26.857 -5.456
{ca met c 447}126.827 -26.782 -7.256
{ca glu c 448}128.12 -29.485 -4.897
{ca ala c 449}125.26 -31.889 -5.684
{ca pro c 450}126.853 -33.531 -8.774
{ca leu c 451}130.118 -34.522 -7.057
{ca arg c 452}128.231 -35.595 -3.953
{ca gln c 453}125.92 -37.763 -6.057
{ca ile c 454}128.847 -39.361 -7.892
{ca val c 455}130.509 -40.217 -4.577
{ca leu c 456}127.158 -41.422 -3.247
{ca asn c 457}126.81 -43.939 -6.092
{ca cys c 458}130.318 -45.125 -5.169
{ca gly c 459}129.161 -46.098 -1.705
{ca glu c 460}131.387 -43.484 -.078
{ca glu c 461}130.576 -40.603 2.291
{ca pro c 462}129.775 -37.555 .081
{ca ser c 463}130.173 -35.001 2.872
{ca val c 464}133.728 -36.2 3.586
{ca val c 465}134.841 -36.346 -.049
{ca ala c 466}133.263 -32.974 -.853
{ca asn c 467}135.076 -31.585 2.182
{ca thr c 468}138.469 -32.884 .991
{ca val c 469}138.013 -31.611 -2.568
{ca lys c 470}136.892 -28.191 -1.333
{ca gly c 471}139.928 -28.223 .941
{ca gly c 472}142.085 -28.879 -2.093
{ca asp c 473}142.941 -26.466 -4.885
{ca gly c 474}142.803 -26.203 -8.666
{ca asn c 475}142.157 -29.473 -10.484
{ca tyr c 476}142.449 -31.464 -7.248
{ca gly c 477}139.524 -33.857 -7.218
{ca tyr c 478}138.324 -37.398 -6.615
{ca asn c 479}138.674 -40.259 -9.083
{ca ala c 480}135.404 -42.096 -8.403
{ca ala c 481}136.56 -45.035 -10.529
{ca thr c 482}139.826 -45.428 -8.601
{ca glu c 483}138.44 -44.314 -5.219
{ca glu c 484}141.427 -41.961 -4.876
{ca tyr c 485}142.168 -38.22 -5.116
{ca gly c 486}144.389 -36.36 -7.57
{ca asn c 487}144.59 -33.912 -10.475
{ca met c 488}141.506 -34.63 -12.615
{ca ile c 489}143.172 -33.347 -15.784
{ca asp c 490}146.187 -35.616 -15.243
{ca met c 491}143.829 -38.551 -14.649
{ca gly c 492}141.905 -37.832 -17.85
{ca ile c 493}138.675 -37.128 -15.971
{ca leu c 494}137.354 -34.085 -17.8
{ca asp c 495}134.241 -32.797 -19.513
{ca pro c 496}133.506 -29.916 -21.939
{ca thr c 497}132.824 -26.525 -20.386
{ca lys c 498}129.939 -26.414 -22.879
{ca val c 499}128.036 -29.243 -21.163
{ca thr c 500}128.879 -28.127 -17.622
{ca arg c 501}127.679 -24.643 -18.54
{ca ser c 502}124.415 -25.739 -20.144
{ca ala c 503}123.724 -28.142 -17.269
{ca leu c 504}123.924 -25.274 -14.781
{ca gln c 505}122.05 -22.691 -16.881
{ca tyr c 506}119.046 -24.884 -17.688
{ca ala c 507}118.923 -26.24 -14.131
{ca ala c 508}118.691 -22.68 -12.794
{ca ser c 509}116.227 -21.597 -15.502
{ca val c 510}113.621 -24.29 -14.85
{ca ala c 511}114.152 -24.056 -11.089
{ca gly c 512}113.638 -20.301 -11.306
{ca leu c 513}110.273 -20.741 -12.991
{ca met c 514}109.148 -23.283 -10.374
{ca ile c 515}110.174 -21.12 -7.422
{ca thr c 516}108.127 -18.247 -8.853
{ca thr c 517}105.09 -20.47 -9.428
{ca glu c 518}102.076 -19.525 -7.318
{ca cys c 519}99.265 -21.416 -9.037
{ca met c 520}98.756 -24.715 -10.87
{ca val c 521}95.873 -25.737 -13.136
{ca thr c 522}95.291 -29.384 -14.085
{ca asp c 523}92.406 -31.378 -15.504
{ca leu c 524}90.096 -32.915 -12.906
{ca pro c 525}90.091 -36.769 -13.072
{ca lys c 526}86.402 -36.944 -12.077
@balllist {P} color= red radius= .7 master= {ATP}
{pg atp c 1}P 123.843 -38.207 -19.285
{pb atp c 1}P 125.689 -37.033 -17.361
{pa atp c 1}P 126.987 -39.531 -16.642
@vectorlist {Calphas} color= greentint 
{ca ala d 2}P 100.902 -43.868 -18.619 {ca ala d 3}101.286 -43.284 -14.875
{ca lys d 4}104.284 -45.18 -13.477
{ca asp d 5}105.199 -46.693 -10.115
{ca val d 6}108.746 -46.328 -8.778
{ca lys d 7}110.569 -48.551 -6.26
{ca phe d 8}114.072 -47.964 -4.844
{ca gly d 9}116.73 -50.027 -3.091
{ca asn d 10}115.356 -52.618 -.675
{ca asp d 11}111.78 -51.943 -1.853
{ca ala d 12}112.808 -53.027 -5.349
{ca gly d 13}115.142 -55.776 -4.145
{ca val d 14}112.515 -57.762 -2.249
{ca lys d 15}110.156 -57.523 -5.232
{ca met d 16}112.837 -58.817 -7.616
{ca leu d 17}113.774 -61.609 -5.228
{ca arg d 18}110.188 -62.852 -4.944
{ca gly d 19}109.823 -62.691 -8.705
{ca val d 20}112.973 -64.704 -9.402
{ca asn d 21}112.122 -67.129 -6.61
{ca val d 22}108.751 -67.958 -8.154
{ca leu d 23}110.216 -68.653 -11.6
{ca ala d 24}113.344 -70.391 -10.302
{ca asp d 25}111.353 -72.527 -7.846
{ca ala d 26}108.926 -73.69 -10.548
{ca val d 27}111.724 -74.469 -12.998
{ca lys d 28}114.301 -76.134 -10.737
{ca val d 29}112.026 -78.998 -9.698
{ca thr d 30}112.577 -80.427 -13.195
{ca leu d 31}116.37 -80.725 -12.853
{ca gly d 32}118.155 -84.035 -13.297
{ca pro d 33}116.956 -87.681 -13.588
{ca lys d 34}114.623 -87.422 -10.612
{ca gly d 35}113.177 -84.139 -11.852
{ca arg d 36}109.519 -83.758 -10.878
{ca asn d 37}106.625 -82.937 -13.2
{ca val d 38}105.153 -79.463 -13.705
{ca val d 39}101.629 -79.162 -15.065
{ca leu d 40}100.947 -76.177 -17.298
{ca asp d 41}97.316 -75.287 -18.015
{ca lys d 42}96.655 -75.848 -21.723
{ca ser d 43}93.299 -73.984 -21.648
{ca phe d 44}92.324 -75.74 -24.894
{ca gly d 45}91.876 -79.049 -23.093
{ca ala d 46}94.02 -81.527 -21.166
{ca pro d 47}96.986 -79.787 -19.442
{ca thr d 48}100.665 -80.24 -20.317
{ca ile d 49}102.991 -82.244 -18.047
{ca thr d 50}106.715 -81.512 -18.446
{ca lys d 51}110.147 -81.93 -16.924
{ca asp d 52}111.607 -79.393 -19.348
{ca gly d 53}112.702 -76.13 -17.753
{ca val d 54}112.281 -74.119 -20.95
{ca ser d 55}108.622 -75.127 -21.329
{ca val d 56}107.927 -74.075 -17.736
{ca ala d 57}109.778 -70.752 -17.854
{ca arg d 58}107.893 -69.446 -20.895
{ca glu d 59}104.59 -69.896 -19.034
{ca ile d 60}105.691 -67.862 -16.007
{ca glu d 61}104.358 -64.331 -15.501
{ca leu d 62}103.371 -62.729 -12.192
{ca glu d 63}100.577 -60.362 -11.146
{ca asp d 64}102.714 -57.921 -9.147
{ca lys d 65}104.339 -55.667 -11.756
{ca phe d 66}107.671 -55.516 -9.891
{ca glu d 67}107.867 -59.216 -9.029
{ca asn d 68}107.029 -59.921 -12.668
{ca met d 69}109.954 -57.742 -13.765
{ca gly d 70}112.268 -59.862 -11.649
{ca ala d 71}110.901 -63.081 -13.115
{ca gln d 72}111.269 -61.754 -16.679
{ca met d 73}114.848 -60.691 -15.962
{ca val d 74}116.092 -64.154 -14.897
{ca lys d 75}114.036 -65.599 -17.738
{ca glu d 76}116.712 -63.968 -19.918
{ca val d 77}119.25 -66.357 -18.364
{ca ala d 78}117.503 -69.522 -19.527
{ca ser d 79}116.784 -67.885 -22.886
{ca lys d 80}120.356 -66.748 -23.622
{ca ala d 81}121.846 -70.069 -22.477
{ca asn d 82}119.246 -71.886 -24.583
{ca asp d 83}120.17 -69.915 -27.705
{ca ala d 84}123.904 -70.35 -27.05
{ca ala d 85}124.389 -73.998 -26.063
{ca gly d 86}120.844 -75.29 -26.524
{ca asp d 87}120.746 -76.956 -23.108
{ca gly d 88}121.379 -76.182 -19.442
{ca thr d 89}118.566 -73.646 -19.132
{ca thr d 90}117.446 -75.128 -15.802
{ca thr d 91}121.018 -75.282 -14.489
{ca ala d 92}121.481 -71.651 -15.546
{ca thr d 93}118.339 -70.686 -13.623
{ca val d 94}119.416 -72.436 -10.397
{ca leu d 95}122.827 -70.74 -10.561
{ca ala d 96}121.211 -67.335 -11.142
{ca gln d 97}118.863 -67.751 -8.18
{ca ala d 98}121.787 -68.805 -5.974
{ca ile d 99}123.909 -65.771 -6.868
{ca ile d 100}120.978 -63.32 -6.667
{ca thr d 101}119.666 -64.618 -3.342
{ca glu d 102}123.033 -64.374 -1.574
{ca gly d 103}124.003 -61.306 -3.579
{ca leu d 104}120.99 -59.206 -2.601
{ca lys d 105}121.312 -60.565 .945
{ca ala d 106}124.836 -59.119 1.
{ca val d 107}123.542 -55.849 -.47
{ca ala d 108}120.935 -55.581 2.293
{ca ala d 109}123.687 -56.16 4.861
{ca gly d 110}125.229 -52.917 3.608
{ca met d 111}127.738 -54.15 1.026
{ca asn d 112}128.685 -52.25 -2.139
{ca pro d 113}126.788 -53.833 -5.081
{ca met d 114}129.446 -52.789 -7.621
{ca asp d 115}132.181 -54.534 -5.608
{ca leu d 116}129.973 -57.59 -5.057
{ca lys d 117}129.349 -57.794 -8.791
{ca arg d 118}133.067 -57.377 -9.492
{ca gly d 119}133.911 -60.275 -7.198
{ca ile d 120}131.32 -62.505 -8.87
{ca asp d 121}132.736 -61.642 -12.317
{ca lys d 122}136.278 -62.332 -11.089
{ca ala d 123}135.076 -65.77 -9.987
{ca val d 124}133.356 -66.638 -13.271
{ca thr d 125}136.342 -65.416 -15.302
{ca val d 126}138.674 -67.768 -13.433
{ca ala d 127}136.08 -70.537 -13.186
{ca val d 128}135.638 -70.767 -16.96
{ca glu d 129}139.424 -71.048 -17.317
{ca glu d 130}139.66 -73.873 -14.789
{ca leu d 131}136.748 -75.489 -16.6
{ca lys d 132}138.811 -75.42 -19.819
{ca ala d 133}141.572 -77.254 -17.969
{ca leu d 134}139.222 -79.929 -16.616
{ca ser d 135}137.646 -80.378 -20.049
{ca val d 136}138.29 -83.68 -21.824
{ca pro d 137}138.597 -83.122 -25.612
{ca cys d 138}136.352 -84.854 -28.135
{ca ser d 139}138.061 -84.819 -31.536
{ca asp d 140}138.421 -88.467 -32.591
{ca ser d 141}135.85 -90.871 -34.064
{ca lys d 142}135.916 -93.029 -30.921
{ca ala d 143}135.186 -90.061 -28.642
{ca ile d 144}132.501 -88.754 -31.005
{ca ala d 145}130.789 -92.148 -31.024
{ca gln d 146}131.047 -92.458 -27.24
{ca val d 147}129.58 -89.01 -26.57
{ca gly d 148}126.831 -89.723 -29.086
{ca thr d 149}125.765 -93.091 -27.651
{ca ile d 150}125.511 -91.567 -24.178
{ca ser d 151}123.43 -88.651 -25.468
{ca ala d 152}121.115 -91.09 -27.254
{ca asn d 153}120.285 -93.075 -24.103
{ca ser d 154}123.119 -95.618 -24.472
{ca asp d 155}122.21 -96.414 -28.091
{ca glu d 156}125.403 -97.359 -29.927
{ca thr d 157}123.773 -97.198 -33.373
{ca val d 158}123.044 -93.487 -32.963
{ca gly d 159}126.581 -92.737 -31.817
{ca lys d 160}127.969 -94.543 -34.852
{ca leu d 161}125.68 -92.54 -37.154
{ca ile d 162}126.923 -89.191 -35.859
{ca ala d 163}130.556 -90.331 -35.985
{ca glu d 164}130.079 -91.338 -39.622
{ca ala d 165}128.38 -88.065 -40.542
{ca met d 166}131.182 -85.999 -38.994
{ca asp d 167}133.728 -88.272 -40.676
{ca lys d 168}132.265 -87.339 -44.072
{ca val d 169}131.795 -83.568 -43.775
{ca gly d 170}134.192 -82.937 -40.889
{ca lys d 171}133.485 -82.264 -37.206
{ca glu d 172}132.548 -78.684 -38.13
{ca gly d 173}130.46 -79.661 -41.146
{ca val d 174}126.726 -79.234 -41.67
{ca ile d 175}124.642 -82.228 -40.578
{ca thr d 176}120.847 -82.5 -40.799
{ca val d 177}118.399 -85.215 -39.723
{ca glu d 178}115.463 -86.401 -41.856
{ca asp d 179}112.845 -89.165 -41.889
{ca gly d 180}113.884 -92.557 -43.232
{ca thr d 181}112.353 -94.304 -46.232
{ca gly d 182}112.383 -97.882 -44.966
{ca leu d 183}114.419 -99.348 -42.108
{ca gln d 184}118.201 -99.43 -42.48
{ca asp d 185}119.886 -96.042 -41.985
{ca glu d 186}121.1 -93.73 -44.719
{ca leu d 187}123.746 -91.025 -44.937
{ca asp d 188}124.032 -88.919 -48.074
{ca val d 189}126.076 -85.772 -48.683
{ca val d 190}124.162 -83.325 -50.882
{ca glu d 191}125.117 -79.9 -52.264
{ca gly d 192}124.251 -77.198 -49.748
{ca met d 193}125.382 -74.638 -47.185
{ca gln d 194}124.483 -72.867 -43.953
{ca phe d 195}124.859 -69.21 -42.97
{ca asp d 196}124.342 -67.234 -39.751
{ca arg d 197}120.936 -65.707 -40.507
{ca gly d 198}117.621 -66.494 -38.876
{ca tyr d 199}114.023 -65.522 -39.588
{ca leu d 200}113.368 -61.773 -39.625
{ca ser d 201}110.228 -62.413 -37.597
{ca pro d 202}108.629 -65.363 -35.754
{ca tyr d 203}105.23 -66.765 -36.825
{ca phe d 204}106.961 -68.168 -39.938
{ca ile d 205}107.805 -70.977 -37.522
{ca asn d 206}105.67 -73.871 -38.779
{ca lys d 207}107.518 -76.209 -36.416
{ca pro d 208}106.45 -75.478 -32.742
{ca glu d 209}108.842 -77.449 -30.486
{ca thr d 210}111.879 -76.97 -32.716
{ca gly d 211}111.393 -73.201 -32.97
{ca ala d 212}112.407 -73.392 -36.627
{ca val d 213}110.854 -73.117 -40.089
{ca glu d 214}110.983 -76.054 -42.5
{ca leu d 215}110.193 -75.712 -46.2
{ca glu d 216}109.672 -78.635 -48.594
{ca ser d 217}111.066 -78.051 -52.106
{ca pro d 218}110.943 -74.224 -51.895
{ca phe d 219}111.805 -71.534 -54.439
{ca ile d 220}114.513 -69.11 -53.299
{ca leu d 221}114.236 -65.419 -54.184
{ca leu d 222}117.67 -63.798 -54.08
{ca ala d 223}117.389 -60.001 -54.028
{ca asp d 224}120.294 -57.581 -53.605
{ca lys d 225}118.241 -54.794 -51.994
{ca lys d 226}115.818 -53.92 -49.191
{ca ile d 227}112.258 -55.005 -49.933
{ca ser d 228}109.652 -52.552 -48.619
{ca asn d 229}107.134 -52.584 -51.465
{ca ile d 230}104.868 -55.638 -51.464
{ca arg d 231}103.8 -54.116 -54.791
{ca glu d 232}107.019 -55.116 -56.601
{ca met d 233}106.964 -58.659 -55.243
{ca leu d 234}103.359 -59.453 -56.241
{ca pro d 235}104.346 -60.92 -59.657
{ca val d 236}106.957 -63.264 -58.166
{ca leu d 237}104.634 -64.526 -55.413
{ca glu d 238}101.942 -65.037 -58.046
{ca ala d 239}104.335 -67.094 -60.191
{ca val d 240}105.413 -69.014 -57.083
{ca ala d 241}101.825 -70.262 -56.679
{ca lys d 242}102.609 -72.651 -59.556
{ca ala d 243}104.59 -75.867 -58.921
{ca gly d 244}106.718 -74.996 -55.858
{ca lys d 245}104.495 -73.261 -53.297
{ca pro d 246}107.056 -72.49 -50.547
{ca leu d 247}109.325 -69.485 -51.091
{ca leu d 248}112.418 -68.307 -49.223
{ca ile d 249}113.264 -64.631 -49.577
{ca ile d 250}116.977 -63.998 -49.081
{ca ala d 251}117.362 -60.248 -49.513
{ca glu d 252}119.605 -57.56 -48.02
{ca asp d 253}116.754 -56.984 -45.566
{ca val d 254}112.97 -57.011 -45.691
{ca glu d 255}111.771 -53.739 -44.145
{ca gly d 256}109.1 -53.928 -41.453
{ca glu d 257}106.516 -52.671 -43.959
{ca ala d 258}106.648 -55.551 -46.455
{ca leu d 259}107.762 -57.855 -43.631
{ca ala d 260}104.544 -57.217 -41.707
{ca thr d 261}102.507 -57.966 -44.838
{ca leu d 262}104.229 -61.339 -45.234
{ca val d 263}103.696 -62.219 -41.56
{ca val d 264}99.969 -61.497 -41.833
{ca asn d 265}99.673 -63.663 -44.961
{ca thr d 266}101.539 -66.63 -43.444
{ca met d 267}98.899 -67.273 -40.787
{ca arg d 268}95.791 -69.014 -42.167
{ca gly d 269}97.188 -68.579 -45.681
{ca ile d 270}99.239 -71.817 -45.722
{ca val d 271}103.026 -71.455 -45.138
{ca lys d 272}103.844 -69.453 -48.263
{ca val d 273}106.858 -67.178 -47.607
{ca ala d 274}109.708 -67.073 -45.093
{ca ala d 275}112.273 -64.275 -44.92
{ca val d 276}115.901 -64.114 -43.801
{ca lys d 277}118.69 -61.564 -44.239
{ca ala d 278}121.531 -61.963 -46.725
{ca pro d 279}124.692 -63.453 -45.136
{ca gly d 280